<?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">0.958526 -0.103114 -0.265699 0.260669 0.258722 0.705847 0.659427 0.162279 0.119546 -0.70082 0.70325 -0.279526 0 0 0 1</matrix>
<metadataList>
<metadata name="Maximum Size" content="11.1357"></metadata>
<metadata name="Window Size" content="15.1696"></metadata>
<metadata name="Current Frame" content="100"></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="0.00650034" green="0.0517739" blue="0.573175" pattern="0"></BondColor>
<BondColor BondOrder="4" red="0.00839246" 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="0.269703" green="0.269703" blue="0.269703" 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="0.269703" green="0.269703" blue="0.269703" pattern="2"></Color>
</Atom>
<Atom Number="12" Size="160" Mass="4.93" Label="Mg">
<Color red="0.269703" green="0.269703" blue="0.269703" pattern="3"></Color>
</Atom>
<Atom Number="13" Size="143" Mass="5.19438" Label="Al">
<Color red="0.269703" green="0.269703" blue="0.269703" pattern="4"></Color>
</Atom>
<Atom Number="14" Size="118" Mass="5.29958" Label="Si">
<Color red="0" green="0.259388" blue="0.762936" pattern="6"></Color>
</Atom>
<Atom Number="15" Size="110" Mass="5.5654" Label="P">
<Color red="0.269703" green="0.269703" blue="0.269703" 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="0.269703" green="0.269703" blue="0.269703" pattern="11"></Color>
</Atom>
<Atom Number="20" Size="197" Mass="6.3307" Label="Ca">
<Color red="0.269703" green="0.269703" blue="0.269703" pattern="12"></Color>
</Atom>
<Atom Number="21" Size="163" Mass="6.7049" Label="Sc">
<Color red="0.269703" green="0.269703" blue="0.269703" 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="0.269703" green="0.269703" blue="0.269703" pattern="15"></Color>
</Atom>
<Atom Number="24" Size="130" Mass="7.2108" Label="Cr">
<Color red="0.269703" green="0.269703" blue="0.269703" 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="0.269703" green="0.269703" blue="0" pattern="23"></Color>
</Atom>
<Atom Number="32" Size="122" Mass="8.5212" Label="Ge">
<Color red="0.269703" green="0.269703" blue="0.269703" pattern="24"></Color>
</Atom>
<Atom Number="33" Size="120" Mass="8.6557" Label="As">
<Color red="0.269703" green="0.269703" blue="0.269703" pattern="25"></Color>
</Atom>
<Atom Number="34" Size="119" Mass="8.8859" Label="Se">
<Color red="0.269703" green="0.269703" blue="0.269703" 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="0.269703" 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="0.269703" green="0.269703" blue="0.269703" 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="0.915526"></TEColor>
<MPColor red="0" green="0.610361" blue="0"></MPColor>
<KEColor red="0.686656" green="0" blue="0.793454"></KEColor>
<PEColor red="0.915526" green="0.915526" 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="760" y="28" width="791" height="594"></MoleculeDisplayWindow>
</metadata>
</metadataList>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.989112" y3="-0.641902" z3="-1.333717"></atom>
<atom id="a1" elementType="C" x3="-2.247449" y3="-2.496310" z3="-0.215327"></atom>
<atom id="a2" elementType="C" x3="0.150691" y3="-2.735590" z3="-0.534848"></atom>
<atom id="a3" elementType="N" x3="-1.077875" y3="-3.227584" z3="-0.151037"></atom>
<atom id="a4" elementType="C" x3="0.236282" y3="-1.518049" z3="-1.078262"></atom>
<atom id="a5" elementType="C" x3="-2.238437" y3="-1.258747" z3="-0.720160"></atom>
<atom id="a6" elementType="H" x3="-0.824242" y3="0.330939" z3="-0.895908"></atom>
<atom id="a7" elementType="H" x3="-1.116189" y3="-4.139781" z3="0.245882"></atom>
<atom id="a8" elementType="C" x3="-1.184670" y3="-0.447868" z3="-2.856672"></atom>
<atom id="a9" elementType="H" x3="-1.339335" y3="-1.409677" z3="-3.330451"></atom>
<atom id="a10" elementType="H" x3="-0.311471" y3="0.026765" z3="-3.286419"></atom>
<atom id="a11" elementType="H" x3="-2.042290" y3="0.184647" z3="-3.037760"></atom>
<atom id="a12" elementType="C" x3="-3.455131" y3="-3.214181" z3="0.353745"></atom>
<atom id="a13" elementType="H" x3="-3.966688" y3="-2.594422" z3="1.072072"></atom>
<atom id="a14" elementType="H" x3="-3.151020" y3="-4.138687" z3="0.827576"></atom>
<atom id="a15" elementType="H" x3="-4.164965" y3="-3.431144" z3="-0.431462"></atom>
<atom id="a16" elementType="C" x3="1.306536" y3="-3.666035" z3="-0.219053"></atom>
<atom id="a17" elementType="H" x3="0.972590" y3="-4.457641" z3="0.439448"></atom>
<atom id="a18" elementType="H" x3="2.102798" y3="-3.125513" z3="0.265604"></atom>
<atom id="a19" elementType="H" x3="1.701433" y3="-4.096303" z3="-1.126879"></atom>
<atom id="a20" elementType="C" x3="1.503879" y3="-0.912702" z3="-1.480218"></atom>
<atom id="a21" elementType="C" x3="-3.472223" y3="-0.473418" z3="-0.703283"></atom>
<atom id="a22" elementType="O" x3="-4.588158" y3="-0.878814" z3="-0.443043"></atom>
<atom id="a23" elementType="O" x3="1.668262" y3="0.290200" z3="-1.584901"></atom>
<atom id="a24" elementType="C" x3="2.011077" y3="0.367016" z3="1.418852"></atom>
<atom id="a25" elementType="C" x3="-0.299084" y3="1.141502" z3="1.683810"></atom>
<atom id="a26" elementType="C" x3="1.439718" y3="2.586410" z3="0.535558"></atom>
<atom id="a27" elementType="C" x3="0.016998" y3="2.387867" z3="0.932107"></atom>
<atom id="a28" elementType="C" x3="2.354825" y3="1.658867" z3="0.761094"></atom>
<atom id="a29" elementType="C" x3="0.620211" y3="0.222915" z3="1.918647"></atom>
<atom id="a30" elementType="O" x3="2.834467" y3="-0.508396" z3="1.534088"></atom>
<atom id="a31" elementType="O" x3="-0.818634" y3="3.213480" z3="0.663240"></atom>
<atom id="a32" elementType="Cl" x3="0.313693" y3="-1.214483" z3="2.800232"></atom>
<atom id="a33" elementType="C" x3="1.728892" y3="3.804296" z3="-0.132695"></atom>
<atom id="a34" elementType="C" x3="3.708431" y3="1.789435" z3="0.356625"></atom>
<atom id="a35" elementType="N" x3="4.798235" y3="1.872382" z3="0.038410"></atom>
<atom id="a36" elementType="N" x3="1.956956" y3="4.782198" z3="-0.668877"></atom>
<atom id="a37" elementType="O" x3="2.491836" y3="-1.788725" z3="-1.739046"></atom>
<atom id="a38" elementType="O" x3="-3.262235" y3="0.831377" z3="-0.989111"></atom>
<atom id="a39" elementType="C" x3="-4.406249" y3="1.740596" z3="-0.909607"></atom>
<atom id="a40" elementType="H" x3="-5.133169" y3="1.453035" z3="-1.653740"></atom>
<atom id="a41" elementType="H" x3="-4.858665" y3="1.640093" z3="0.065013"></atom>
<atom id="a42" elementType="C" x3="-3.855224" y3="3.138975" z3="-1.142776"></atom>
<atom id="a43" elementType="H" x3="-3.438575" y3="3.214760" z3="-2.138779"></atom>
<atom id="a44" elementType="H" x3="-3.073961" y3="3.349556" z3="-0.427101"></atom>
<atom id="a45" elementType="H" x3="-4.646540" y3="3.872242" z3="-1.037724"></atom>
<atom id="a46" elementType="C" x3="3.822730" y3="-1.324768" z3="-2.150158"></atom>
<atom id="a47" elementType="H" x3="4.002915" y3="-1.768945" z3="-3.116191"></atom>
<atom id="a48" elementType="H" x3="3.802405" y3="-0.252085" z3="-2.233786"></atom>
<atom id="a49" elementType="C" x3="4.830635" y3="-1.796163" z3="-1.108003"></atom>
<atom id="a50" elementType="H" x3="4.810117" y3="-2.875404" z3="-1.028191"></atom>
<atom id="a51" elementType="H" x3="4.592990" y3="-1.367955" z3="-0.144445"></atom>
<atom id="a52" elementType="H" x3="5.828504" y3="-1.484577" z3="-1.392957"></atom>
<atom id="a53" elementType="Cl" x3="-1.920126" y3="1.001532" z3="2.207397"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364491028e+03</scalar>
<scalar title="Time">-14.9559</scalar>
<scalar title="Reaction Coordinate">-50</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.987900" y3="-0.636052" z3="-1.329018"></atom>
<atom id="a1" elementType="C" x3="-2.246103" y3="-2.491692" z3="-0.211332"></atom>
<atom id="a2" elementType="C" x3="0.152351" y3="-2.729367" z3="-0.528094"></atom>
<atom id="a3" elementType="N" x3="-1.075568" y3="-3.220848" z3="-0.142280"></atom>
<atom id="a4" elementType="C" x3="0.237347" y3="-1.513273" z3="-1.074978"></atom>
<atom id="a5" elementType="C" x3="-2.238054" y3="-1.255261" z3="-0.718997"></atom>
<atom id="a6" elementType="H" x3="-0.823719" y3="0.335220" z3="-0.887207"></atom>
<atom id="a7" elementType="H" x3="-1.113183" y3="-4.131725" z3="0.257764"></atom>
<atom id="a8" elementType="C" x3="-1.181768" y3="-0.435629" z3="-2.851384"></atom>
<atom id="a9" elementType="H" x3="-1.336013" y3="-1.395471" z3="-3.329268"></atom>
<atom id="a10" elementType="H" x3="-0.308097" y3="0.040772" z3="-3.278097"></atom>
<atom id="a11" elementType="H" x3="-2.039102" y3="0.197728" z3="-3.030711"></atom>
<atom id="a12" elementType="C" x3="-3.453763" y3="-3.210822" z3="0.356213"></atom>
<atom id="a13" elementType="H" x3="-3.971532" y3="-2.588897" z3="1.068224"></atom>
<atom id="a14" elementType="H" x3="-3.148139" y3="-4.131232" z3="0.837147"></atom>
<atom id="a15" elementType="H" x3="-4.158748" y3="-3.435584" z3="-0.431324"></atom>
<atom id="a16" elementType="C" x3="1.308554" y3="-3.658725" z3="-0.210231"></atom>
<atom id="a17" elementType="H" x3="0.975292" y3="-4.447425" z3="0.452021"></atom>
<atom id="a18" elementType="H" x3="2.105525" y3="-3.116486" z3="0.271238"></atom>
<atom id="a19" elementType="H" x3="1.701999" y3="-4.092856" z3="-1.116721"></atom>
<atom id="a20" elementType="C" x3="1.505123" y3="-0.910697" z3="-1.480785"></atom>
<atom id="a21" elementType="C" x3="-3.473962" y3="-0.472956" z3="-0.706493"></atom>
<atom id="a22" elementType="O" x3="-4.590026" y3="-0.882180" z3="-0.453190"></atom>
<atom id="a23" elementType="O" x3="1.671911" y3="0.291659" z3="-1.587364"></atom>
<atom id="a24" elementType="C" x3="2.012184" y3="0.364958" z3="1.418668"></atom>
<atom id="a25" elementType="C" x3="-0.298974" y3="1.137699" z3="1.679495"></atom>
<atom id="a26" elementType="C" x3="1.440536" y3="2.583466" z3="0.533458"></atom>
<atom id="a27" elementType="C" x3="0.017100" y3="2.383491" z3="0.926838"></atom>
<atom id="a28" elementType="C" x3="2.356158" y3="1.657056" z3="0.761509"></atom>
<atom id="a29" elementType="C" x3="0.620777" y3="0.220142" z3="1.916568"></atom>
<atom id="a30" elementType="O" x3="2.835915" y3="-0.510089" z3="1.534796"></atom>
<atom id="a31" elementType="O" x3="-0.818998" y3="3.207564" z3="0.654838"></atom>
<atom id="a32" elementType="Cl" x3="0.314094" y3="-1.216822" z3="2.798856"></atom>
<atom id="a33" elementType="C" x3="1.729864" y3="3.801343" z3="-0.134732"></atom>
<atom id="a34" elementType="C" x3="3.710548" y3="1.788900" z3="0.360051"></atom>
<atom id="a35" elementType="N" x3="4.801016" y3="1.872977" z3="0.044394"></atom>
<atom id="a36" elementType="N" x3="1.958046" y3="4.779268" z3="-0.670811"></atom>
<atom id="a37" elementType="O" x3="2.490428" y3="-1.789332" z3="-1.741052"></atom>
<atom id="a38" elementType="O" x3="-3.266265" y3="0.833406" z3="-0.986548"></atom>
<atom id="a39" elementType="C" x3="-4.413128" y3="1.739123" z3="-0.906169"></atom>
<atom id="a40" elementType="H" x3="-5.138288" y3="1.451411" z3="-1.651917"></atom>
<atom id="a41" elementType="H" x3="-4.866422" y3="1.634515" z3="0.067632"></atom>
<atom id="a42" elementType="C" x3="-3.866093" y3="3.139805" z3="-1.134676"></atom>
<atom id="a43" elementType="H" x3="-3.450256" y3="3.220340" z3="-2.130715"></atom>
<atom id="a44" elementType="H" x3="-3.084696" y3="3.349752" z3="-0.418960"></atom>
<atom id="a45" elementType="H" x3="-4.659353" y3="3.870581" z3="-1.026453"></atom>
<atom id="a46" elementType="C" x3="3.822149" y3="-1.329125" z3="-2.153499"></atom>
<atom id="a47" elementType="H" x3="4.001488" y3="-1.776749" z3="-3.118072"></atom>
<atom id="a48" elementType="H" x3="3.803725" y3="-0.256573" z3="-2.240420"></atom>
<atom id="a49" elementType="C" x3="4.829252" y3="-1.799084" z3="-1.109838"></atom>
<atom id="a50" elementType="H" x3="4.806615" y3="-2.878056" z3="-1.026463"></atom>
<atom id="a51" elementType="H" x3="4.592655" y3="-1.367270" z3="-0.147575"></atom>
<atom id="a52" elementType="H" x3="5.827722" y3="-1.490436" z3="-1.395935"></atom>
<atom id="a53" elementType="Cl" x3="-1.920598" y3="0.996776" z3="2.200835"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364490779e+03</scalar>
<scalar title="Time">-14.6574</scalar>
<scalar title="Reaction Coordinate">-49</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.986596" y3="-0.630140" z3="-1.324220"></atom>
<atom id="a1" elementType="C" x3="-2.244723" y3="-2.487047" z3="-0.207382"></atom>
<atom id="a2" elementType="C" x3="0.154031" y3="-2.723177" z3="-0.521401"></atom>
<atom id="a3" elementType="N" x3="-1.073246" y3="-3.214108" z3="-0.133587"></atom>
<atom id="a4" elementType="C" x3="0.238457" y3="-1.508494" z3="-1.071711"></atom>
<atom id="a5" elementType="C" x3="-2.237582" y3="-1.251762" z3="-0.717806"></atom>
<atom id="a6" elementType="H" x3="-0.823134" y3="0.339418" z3="-0.878328"></atom>
<atom id="a7" elementType="H" x3="-1.110164" y3="-4.123608" z3="0.269566"></atom>
<atom id="a8" elementType="C" x3="-1.178787" y3="-0.423057" z3="-2.845892"></atom>
<atom id="a9" elementType="H" x3="-1.332632" y3="-1.380659" z3="-3.328349"></atom>
<atom id="a10" elementType="H" x3="-0.304730" y3="0.055232" z3="-3.269374"></atom>
<atom id="a11" elementType="H" x3="-2.035856" y3="0.211111" z3="-3.023194"></atom>
<atom id="a12" elementType="C" x3="-3.452371" y3="-3.207466" z3="0.358614"></atom>
<atom id="a13" elementType="H" x3="-3.975955" y3="-2.583751" z3="1.064558"></atom>
<atom id="a14" elementType="H" x3="-3.145496" y3="-4.123912" z3="0.846135"></atom>
<atom id="a15" elementType="H" x3="-4.152600" y3="-3.439458" z3="-0.430978"></atom>
<atom id="a16" elementType="C" x3="1.310549" y3="-3.651509" z3="-0.201497"></atom>
<atom id="a17" elementType="H" x3="0.977912" y3="-4.437262" z3="0.464648"></atom>
<atom id="a18" elementType="H" x3="2.108285" y3="-3.107507" z3="0.276685"></atom>
<atom id="a19" elementType="H" x3="1.702455" y3="-4.089681" z3="-1.106804"></atom>
<atom id="a20" elementType="C" x3="1.506446" y3="-0.908799" z3="-1.481340"></atom>
<atom id="a21" elementType="C" x3="-3.475590" y3="-0.472493" z3="-0.709638"></atom>
<atom id="a22" elementType="O" x3="-4.591826" y3="-0.885596" z3="-0.463151"></atom>
<atom id="a23" elementType="O" x3="1.675761" y3="0.293014" z3="-1.589742"></atom>
<atom id="a24" elementType="C" x3="2.013274" y3="0.362944" z3="1.418415"></atom>
<atom id="a25" elementType="C" x3="-0.298883" y3="1.133943" z3="1.675176"></atom>
<atom id="a26" elementType="C" x3="1.441318" y3="2.580586" z3="0.531352"></atom>
<atom id="a27" elementType="C" x3="0.017184" y3="2.379184" z3="0.921588"></atom>
<atom id="a28" elementType="C" x3="2.357444" y3="1.655284" z3="0.761856"></atom>
<atom id="a29" elementType="C" x3="0.621288" y3="0.217373" z3="1.914392"></atom>
<atom id="a30" elementType="O" x3="2.837313" y3="-0.511717" z3="1.535459"></atom>
<atom id="a31" elementType="O" x3="-0.819402" y3="3.201704" z3="0.646447"></atom>
<atom id="a32" elementType="Cl" x3="0.314443" y3="-1.219182" z3="2.797338"></atom>
<atom id="a33" elementType="C" x3="1.730789" y3="3.798469" z3="-0.136735"></atom>
<atom id="a34" elementType="C" x3="3.712580" y3="1.788394" z3="0.363362"></atom>
<atom id="a35" elementType="N" x3="4.803690" y3="1.873581" z3="0.050206"></atom>
<atom id="a36" elementType="N" x3="1.959114" y3="4.776465" z3="-0.672627"></atom>
<atom id="a37" elementType="O" x3="2.489008" y3="-1.790111" z3="-1.743104"></atom>
<atom id="a38" elementType="O" x3="-3.270254" y3="0.835456" z3="-0.983891"></atom>
<atom id="a39" elementType="C" x3="-4.419984" y3="1.737606" z3="-0.902546"></atom>
<atom id="a40" elementType="H" x3="-5.143556" y3="1.449579" z3="-1.649674"></atom>
<atom id="a41" elementType="H" x3="-4.873897" y3="1.629059" z3="0.070560"></atom>
<atom id="a42" elementType="C" x3="-3.877022" y3="3.140531" z3="-1.126749"></atom>
<atom id="a43" elementType="H" x3="-3.462456" y3="3.225753" z3="-2.122849"></atom>
<atom id="a44" elementType="H" x3="-3.095399" y3="3.350087" z3="-0.411146"></atom>
<atom id="a45" elementType="H" x3="-4.672173" y3="3.868667" z3="-1.015209"></atom>
<atom id="a46" elementType="C" x3="3.821588" y3="-1.333748" z3="-2.156750"></atom>
<atom id="a47" elementType="H" x3="4.000146" y3="-1.785025" z3="-3.119745"></atom>
<atom id="a48" elementType="H" x3="3.805151" y3="-0.261497" z3="-2.247351"></atom>
<atom id="a49" elementType="C" x3="4.827797" y3="-1.802054" z3="-1.111434"></atom>
<atom id="a50" elementType="H" x3="4.803031" y3="-2.880651" z3="-1.024380"></atom>
<atom id="a51" elementType="H" x3="4.592184" y3="-1.366603" z3="-0.150606"></atom>
<atom id="a52" elementType="H" x3="5.826890" y3="-1.496418" z3="-1.398562"></atom>
<atom id="a53" elementType="Cl" x3="-1.921102" y3="0.992037" z3="2.194247"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364490520e+03</scalar>
<scalar title="Time">-14.359</scalar>
<scalar title="Reaction Coordinate">-48</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.985244" y3="-0.624160" z3="-1.319291"></atom>
<atom id="a1" elementType="C" x3="-2.243306" y3="-2.482430" z3="-0.203452"></atom>
<atom id="a2" elementType="C" x3="0.155729" y3="-2.717005" z3="-0.514747"></atom>
<atom id="a3" elementType="N" x3="-1.070915" y3="-3.207361" z3="-0.124926"></atom>
<atom id="a4" elementType="C" x3="0.239609" y3="-1.503753" z3="-1.068454"></atom>
<atom id="a5" elementType="C" x3="-2.237077" y3="-1.248244" z3="-0.716602"></atom>
<atom id="a6" elementType="H" x3="-0.822398" y3="0.343598" z3="-0.869052"></atom>
<atom id="a7" elementType="H" x3="-1.107172" y3="-4.115521" z3="0.281304"></atom>
<atom id="a8" elementType="C" x3="-1.175717" y3="-0.410039" z3="-2.840223"></atom>
<atom id="a9" elementType="H" x3="-1.329041" y3="-1.365494" z3="-3.327191"></atom>
<atom id="a10" elementType="H" x3="-0.301226" y3="0.070217" z3="-3.260445"></atom>
<atom id="a11" elementType="H" x3="-2.032547" y3="0.224962" z3="-3.015497"></atom>
<atom id="a12" elementType="C" x3="-3.450930" y3="-3.204148" z3="0.360973"></atom>
<atom id="a13" elementType="H" x3="-3.980283" y3="-2.578662" z3="1.061061"></atom>
<atom id="a14" elementType="H" x3="-3.142722" y3="-4.116760" z3="0.854938"></atom>
<atom id="a15" elementType="H" x3="-4.146525" y3="-3.443280" z3="-0.430710"></atom>
<atom id="a16" elementType="C" x3="1.312538" y3="-3.644346" z3="-0.192864"></atom>
<atom id="a17" elementType="H" x3="0.980505" y3="-4.427216" z3="0.476919"></atom>
<atom id="a18" elementType="H" x3="2.111023" y3="-3.098800" z3="0.282209"></atom>
<atom id="a19" elementType="H" x3="1.702988" y3="-4.086337" z3="-1.096841"></atom>
<atom id="a20" elementType="C" x3="1.507833" y3="-0.906977" z3="-1.481882"></atom>
<atom id="a21" elementType="C" x3="-3.477171" y3="-0.472018" z3="-0.712666"></atom>
<atom id="a22" elementType="O" x3="-4.593421" y3="-0.888987" z3="-0.473046"></atom>
<atom id="a23" elementType="O" x3="1.679765" y3="0.294250" z3="-1.592054"></atom>
<atom id="a24" elementType="C" x3="2.014293" y3="0.360951" z3="1.418092"></atom>
<atom id="a25" elementType="C" x3="-0.298830" y3="1.130214" z3="1.670815"></atom>
<atom id="a26" elementType="C" x3="1.442051" y3="2.577759" z3="0.529230"></atom>
<atom id="a27" elementType="C" x3="0.017229" y3="2.374917" z3="0.916331"></atom>
<atom id="a28" elementType="C" x3="2.358665" y3="1.653542" z3="0.762113"></atom>
<atom id="a29" elementType="C" x3="0.621777" y3="0.214641" z3="1.912174"></atom>
<atom id="a30" elementType="O" x3="2.838695" y3="-0.513311" z3="1.536069"></atom>
<atom id="a31" elementType="O" x3="-0.819819" y3="3.195885" z3="0.638070"></atom>
<atom id="a32" elementType="Cl" x3="0.314744" y3="-1.221569" z3="2.795666"></atom>
<atom id="a33" elementType="C" x3="1.731691" y3="3.795698" z3="-0.138678"></atom>
<atom id="a34" elementType="C" x3="3.714539" y3="1.787903" z3="0.366531"></atom>
<atom id="a35" elementType="N" x3="4.806266" y3="1.874191" z3="0.055854"></atom>
<atom id="a36" elementType="N" x3="1.960163" y3="4.773778" z3="-0.674341"></atom>
<atom id="a37" elementType="O" x3="2.487560" y3="-1.791038" z3="-1.745159"></atom>
<atom id="a38" elementType="O" x3="-3.274279" y3="0.837471" z3="-0.981084"></atom>
<atom id="a39" elementType="C" x3="-4.426851" y3="1.736059" z3="-0.898725"></atom>
<atom id="a40" elementType="H" x3="-5.148974" y3="1.447599" z3="-1.647040"></atom>
<atom id="a41" elementType="H" x3="-4.881179" y3="1.623758" z3="0.073784"></atom>
<atom id="a42" elementType="C" x3="-3.888021" y3="3.141169" z3="-1.119010"></atom>
<atom id="a43" elementType="H" x3="-3.474778" y3="3.230825" z3="-2.115358"></atom>
<atom id="a44" elementType="H" x3="-3.105956" y3="3.350344" z3="-0.403764"></atom>
<atom id="a45" elementType="H" x3="-4.685062" y3="3.866794" z3="-1.004160"></atom>
<atom id="a46" elementType="C" x3="3.821060" y3="-1.338651" z3="-2.159980"></atom>
<atom id="a47" elementType="H" x3="3.998944" y3="-1.793739" z3="-3.121302"></atom>
<atom id="a48" elementType="H" x3="3.806585" y3="-0.266626" z3="-2.254334"></atom>
<atom id="a49" elementType="C" x3="4.826265" y3="-1.805077" z3="-1.112765"></atom>
<atom id="a50" elementType="H" x3="4.799359" y3="-2.883338" z3="-1.021683"></atom>
<atom id="a51" elementType="H" x3="4.591549" y3="-1.365613" z3="-0.153486"></atom>
<atom id="a52" elementType="H" x3="5.826000" y3="-1.502522" z3="-1.400973"></atom>
<atom id="a53" elementType="Cl" x3="-1.921628" y3="0.987310" z3="2.187637"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364490252e+03</scalar>
<scalar title="Time">-14.06</scalar>
<scalar title="Reaction Coordinate">-47</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.983829" y3="-0.618108" z3="-1.314266"></atom>
<atom id="a1" elementType="C" x3="-2.241867" y3="-2.477806" z3="-0.199565"></atom>
<atom id="a2" elementType="C" x3="0.157435" y3="-2.710853" z3="-0.508136"></atom>
<atom id="a3" elementType="N" x3="-1.068569" y3="-3.200606" z3="-0.116313"></atom>
<atom id="a4" elementType="C" x3="0.240786" y3="-1.498987" z3="-1.065192"></atom>
<atom id="a5" elementType="C" x3="-2.236523" y3="-1.244732" z3="-0.715377"></atom>
<atom id="a6" elementType="H" x3="-0.821664" y3="0.347723" z3="-0.859616"></atom>
<atom id="a7" elementType="H" x3="-1.104160" y3="-4.107414" z3="0.292944"></atom>
<atom id="a8" elementType="C" x3="-1.172572" y3="-0.396701" z3="-2.834373"></atom>
<atom id="a9" elementType="H" x3="-1.325465" y3="-1.349638" z3="-3.326142"></atom>
<atom id="a10" elementType="H" x3="-0.297696" y3="0.085561" z3="-3.251151"></atom>
<atom id="a11" elementType="H" x3="-2.029150" y3="0.239158" z3="-3.007303"></atom>
<atom id="a12" elementType="C" x3="-3.449481" y3="-3.200836" z3="0.363267"></atom>
<atom id="a13" elementType="H" x3="-3.984088" y3="-2.573919" z3="1.057932"></atom>
<atom id="a14" elementType="H" x3="-3.140159" y3="-4.109875" z3="0.863037"></atom>
<atom id="a15" elementType="H" x3="-4.140708" y3="-3.446399" z3="-0.430247"></atom>
<atom id="a16" elementType="C" x3="1.314509" y3="-3.637267" z3="-0.184313"></atom>
<atom id="a17" elementType="H" x3="0.983077" y3="-4.417190" z3="0.489222"></atom>
<atom id="a18" elementType="H" x3="2.113763" y3="-3.090070" z3="0.287504"></atom>
<atom id="a19" elementType="H" x3="1.703383" y3="-4.083159" z3="-1.087078"></atom>
<atom id="a20" elementType="C" x3="1.509278" y3="-0.905235" z3="-1.482411"></atom>
<atom id="a21" elementType="C" x3="-3.478684" y3="-0.471564" z3="-0.715600"></atom>
<atom id="a22" elementType="O" x3="-4.594900" y3="-0.892394" z3="-0.482711"></atom>
<atom id="a23" elementType="O" x3="1.683921" y3="0.295402" z3="-1.594311"></atom>
<atom id="a24" elementType="C" x3="2.015288" y3="0.358998" z3="1.417695"></atom>
<atom id="a25" elementType="C" x3="-0.298788" y3="1.126514" z3="1.666436"></atom>
<atom id="a26" elementType="C" x3="1.442747" y3="2.574974" z3="0.527097"></atom>
<atom id="a27" elementType="C" x3="0.017257" y3="2.370706" z3="0.911084"></atom>
<atom id="a28" elementType="C" x3="2.359840" y3="1.651830" z3="0.762315"></atom>
<atom id="a29" elementType="C" x3="0.622217" y3="0.211919" z3="1.909862"></atom>
<atom id="a30" elementType="O" x3="2.840027" y3="-0.514851" z3="1.536620"></atom>
<atom id="a31" elementType="O" x3="-0.820263" y3="3.190114" z3="0.629716"></atom>
<atom id="a32" elementType="Cl" x3="0.314995" y3="-1.223981" z3="2.793852"></atom>
<atom id="a33" elementType="C" x3="1.732555" y3="3.792990" z3="-0.140574"></atom>
<atom id="a34" elementType="C" x3="3.716423" y3="1.787429" z3="0.369587"></atom>
<atom id="a35" elementType="N" x3="4.808746" y3="1.874792" z3="0.061313"></atom>
<atom id="a36" elementType="N" x3="1.961201" y3="4.771226" z3="-0.675913"></atom>
<atom id="a37" elementType="O" x3="2.486099" y3="-1.792096" z3="-1.747225"></atom>
<atom id="a38" elementType="O" x3="-3.278294" y3="0.839458" z3="-0.978187"></atom>
<atom id="a39" elementType="C" x3="-4.433683" y3="1.734472" z3="-0.894746"></atom>
<atom id="a40" elementType="H" x3="-5.154526" y3="1.445432" z3="-1.644034"></atom>
<atom id="a41" elementType="H" x3="-4.888204" y3="1.618610" z3="0.077288"></atom>
<atom id="a42" elementType="C" x3="-3.899025" y3="3.141697" z3="-1.111495"></atom>
<atom id="a43" elementType="H" x3="-3.487431" y3="3.235574" z3="-2.108041"></atom>
<atom id="a44" elementType="H" x3="-3.116450" y3="3.350743" z3="-0.396778"></atom>
<atom id="a45" elementType="H" x3="-4.697880" y3="3.864730" z3="-0.993318"></atom>
<atom id="a46" elementType="C" x3="3.820556" y3="-1.343762" z3="-2.163087"></atom>
<atom id="a47" elementType="H" x3="3.997824" y3="-1.802923" z3="-3.122555"></atom>
<atom id="a48" elementType="H" x3="3.808099" y3="-0.272082" z3="-2.261531"></atom>
<atom id="a49" elementType="C" x3="4.824680" y3="-1.808128" z3="-1.113862"></atom>
<atom id="a50" elementType="H" x3="4.795642" y3="-2.885921" z3="-1.018784"></atom>
<atom id="a51" elementType="H" x3="4.590795" y3="-1.364750" z3="-0.156252"></atom>
<atom id="a52" elementType="H" x3="5.825076" y3="-1.508695" z3="-1.402977"></atom>
<atom id="a53" elementType="Cl" x3="-1.922169" y3="0.982588" z3="2.180974"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364489974e+03</scalar>
<scalar title="Time">-13.761</scalar>
<scalar title="Reaction Coordinate">-46</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.982388" y3="-0.612011" z3="-1.309117"></atom>
<atom id="a1" elementType="C" x3="-2.240401" y3="-2.473219" z3="-0.195714"></atom>
<atom id="a2" elementType="C" x3="0.159158" y3="-2.704725" z3="-0.501600"></atom>
<atom id="a3" elementType="N" x3="-1.066219" y3="-3.193861" z3="-0.107773"></atom>
<atom id="a4" elementType="C" x3="0.241998" y3="-1.494263" z3="-1.061968"></atom>
<atom id="a5" elementType="C" x3="-2.235924" y3="-1.241214" z3="-0.714141"></atom>
<atom id="a6" elementType="H" x3="-0.820844" y3="0.351783" z3="-0.849765"></atom>
<atom id="a7" elementType="H" x3="-1.101173" y3="-4.099301" z3="0.304499"></atom>
<atom id="a8" elementType="C" x3="-1.169408" y3="-0.382929" z3="-2.828297"></atom>
<atom id="a9" elementType="H" x3="-1.321790" y3="-1.333487" z3="-3.325107"></atom>
<atom id="a10" elementType="H" x3="-0.294096" y3="0.101419" z3="-3.241529"></atom>
<atom id="a11" elementType="H" x3="-2.025726" y3="0.253858" z3="-2.998995"></atom>
<atom id="a12" elementType="C" x3="-3.447993" y3="-3.197557" z3="0.365519"></atom>
<atom id="a13" elementType="H" x3="-3.987787" y3="-2.569365" z3="1.054959"></atom>
<atom id="a14" elementType="H" x3="-3.137614" y3="-4.103163" z3="0.870868"></atom>
<atom id="a15" elementType="H" x3="-4.134922" y3="-3.449329" z3="-0.429803"></atom>
<atom id="a16" elementType="C" x3="1.316459" y3="-3.630251" z3="-0.175871"></atom>
<atom id="a17" elementType="H" x3="0.985624" y3="-4.407086" z3="0.501462"></atom>
<atom id="a18" elementType="H" x3="2.116601" y3="-3.081612" z3="0.292622"></atom>
<atom id="a19" elementType="H" x3="1.703653" y3="-4.080153" z3="-1.077311"></atom>
<atom id="a20" elementType="C" x3="1.510768" y3="-0.903571" z3="-1.482936"></atom>
<atom id="a21" elementType="C" x3="-3.480134" y3="-0.471110" z3="-0.718427"></atom>
<atom id="a22" elementType="O" x3="-4.596254" y3="-0.895806" z3="-0.492185"></atom>
<atom id="a23" elementType="O" x3="1.688210" y3="0.296454" z3="-1.596526"></atom>
<atom id="a24" elementType="C" x3="2.016227" y3="0.357069" z3="1.417243"></atom>
<atom id="a25" elementType="C" x3="-0.298799" y3="1.122844" z3="1.662018"></atom>
<atom id="a26" elementType="C" x3="1.443418" y3="2.572275" z3="0.524984"></atom>
<atom id="a27" elementType="C" x3="0.017258" y3="2.366548" z3="0.905859"></atom>
<atom id="a28" elementType="C" x3="2.360964" y3="1.650166" z3="0.762462"></atom>
<atom id="a29" elementType="C" x3="0.622643" y3="0.209211" z3="1.907491"></atom>
<atom id="a30" elementType="O" x3="2.841342" y3="-0.516374" z3="1.537096"></atom>
<atom id="a31" elementType="O" x3="-0.820715" y3="3.184397" z3="0.621393"></atom>
<atom id="a32" elementType="Cl" x3="0.315196" y3="-1.226413" z3="2.791896"></atom>
<atom id="a33" elementType="C" x3="1.733403" y3="3.790401" z3="-0.142405"></atom>
<atom id="a34" elementType="C" x3="3.718235" y3="1.786969" z3="0.372510"></atom>
<atom id="a35" elementType="N" x3="4.811121" y3="1.875381" z3="0.066576"></atom>
<atom id="a36" elementType="N" x3="1.962211" y3="4.768766" z3="-0.677379"></atom>
<atom id="a37" elementType="O" x3="2.484627" y3="-1.793292" z3="-1.749258"></atom>
<atom id="a38" elementType="O" x3="-3.282307" y3="0.841407" z3="-0.975185"></atom>
<atom id="a39" elementType="C" x3="-4.440472" y3="1.732854" z3="-0.890602"></atom>
<atom id="a40" elementType="H" x3="-5.160185" y3="1.443116" z3="-1.640655"></atom>
<atom id="a41" elementType="H" x3="-4.894961" y3="1.613634" z3="0.081063"></atom>
<atom id="a42" elementType="C" x3="-3.910006" y3="3.142112" z3="-1.104216"></atom>
<atom id="a43" elementType="H" x3="-3.500082" y3="3.239966" z3="-2.101169"></atom>
<atom id="a44" elementType="H" x3="-3.126786" y3="3.351122" z3="-0.390157"></atom>
<atom id="a45" elementType="H" x3="-4.710684" y3="3.862660" z3="-0.982846"></atom>
<atom id="a46" elementType="C" x3="3.820082" y3="-1.349086" z3="-2.166138"></atom>
<atom id="a47" elementType="H" x3="3.996815" y3="-1.812401" z3="-3.123718"></atom>
<atom id="a48" elementType="H" x3="3.809636" y3="-0.277730" z3="-2.268771"></atom>
<atom id="a49" elementType="C" x3="4.823033" y3="-1.811195" z3="-1.114690"></atom>
<atom id="a50" elementType="H" x3="4.791828" y3="-2.888594" z3="-1.015185"></atom>
<atom id="a51" elementType="H" x3="4.589931" y3="-1.363465" z3="-0.158836"></atom>
<atom id="a52" elementType="H" x3="5.824105" y3="-1.514986" z3="-1.404819"></atom>
<atom id="a53" elementType="Cl" x3="-1.922730" y3="0.977876" z3="2.174276"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364489686e+03</scalar>
<scalar title="Time">-13.4621</scalar>
<scalar title="Reaction Coordinate">-45</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.980862" y3="-0.605875" z3="-1.303873"></atom>
<atom id="a1" elementType="C" x3="-2.238906" y3="-2.468623" z3="-0.191884"></atom>
<atom id="a2" elementType="C" x3="0.160895" y3="-2.698629" z3="-0.495096"></atom>
<atom id="a3" elementType="N" x3="-1.063855" y3="-3.187117" z3="-0.099281"></atom>
<atom id="a4" elementType="C" x3="0.243240" y3="-1.489553" z3="-1.058746"></atom>
<atom id="a5" elementType="C" x3="-2.235286" y3="-1.237704" z3="-0.712873"></atom>
<atom id="a6" elementType="H" x3="-0.819943" y3="0.355742" z3="-0.839710"></atom>
<atom id="a7" elementType="H" x3="-1.098153" y3="-4.091199" z3="0.316005"></atom>
<atom id="a8" elementType="C" x3="-1.166156" y3="-0.368750" z3="-2.822016"></atom>
<atom id="a9" elementType="H" x3="-1.318326" y3="-1.316489" z3="-3.324030"></atom>
<atom id="a10" elementType="H" x3="-0.290332" y3="0.117550" z3="-3.231533"></atom>
<atom id="a11" elementType="H" x3="-2.022068" y3="0.269146" z3="-2.989968"></atom>
<atom id="a12" elementType="C" x3="-3.446470" y3="-3.194315" z3="0.367730"></atom>
<atom id="a13" elementType="H" x3="-3.991058" y3="-2.564970" z3="1.052334"></atom>
<atom id="a14" elementType="H" x3="-3.135072" y3="-4.096702" z3="0.878249"></atom>
<atom id="a15" elementType="H" x3="-4.129385" y3="-3.451864" z3="-0.429249"></atom>
<atom id="a16" elementType="C" x3="1.318390" y3="-3.623311" z3="-0.167502"></atom>
<atom id="a17" elementType="H" x3="0.988125" y3="-4.397172" z3="0.513618"></atom>
<atom id="a18" elementType="H" x3="2.119437" y3="-3.073136" z3="0.297650"></atom>
<atom id="a19" elementType="H" x3="1.703888" y3="-4.077202" z3="-1.067693"></atom>
<atom id="a20" elementType="C" x3="1.512308" y3="-0.901981" z3="-1.483455"></atom>
<atom id="a21" elementType="C" x3="-3.481534" y3="-0.470680" z3="-0.721149"></atom>
<atom id="a22" elementType="O" x3="-4.597489" y3="-0.899217" z3="-0.501481"></atom>
<atom id="a23" elementType="O" x3="1.692611" y3="0.297420" z3="-1.598734"></atom>
<atom id="a24" elementType="C" x3="2.017139" y3="0.355156" z3="1.416694"></atom>
<atom id="a25" elementType="C" x3="-0.298809" y3="1.119202" z3="1.657566"></atom>
<atom id="a26" elementType="C" x3="1.444044" y3="2.569608" z3="0.522858"></atom>
<atom id="a27" elementType="C" x3="0.017237" y3="2.362448" z3="0.900620"></atom>
<atom id="a28" elementType="C" x3="2.362030" y3="1.648505" z3="0.762519"></atom>
<atom id="a29" elementType="C" x3="0.622999" y3="0.206516" z3="1.905022"></atom>
<atom id="a30" elementType="O" x3="2.842626" y3="-0.517838" z3="1.537544"></atom>
<atom id="a31" elementType="O" x3="-0.821187" y3="3.178734" z3="0.613082"></atom>
<atom id="a32" elementType="Cl" x3="0.315344" y3="-1.228885" z3="2.789792"></atom>
<atom id="a33" elementType="C" x3="1.734222" y3="3.787878" z3="-0.144156"></atom>
<atom id="a34" elementType="C" x3="3.719966" y3="1.786523" z3="0.375319"></atom>
<atom id="a35" elementType="N" x3="4.813414" y3="1.875951" z3="0.071648"></atom>
<atom id="a36" elementType="N" x3="1.963215" y3="4.766436" z3="-0.678739"></atom>
<atom id="a37" elementType="O" x3="2.483142" y3="-1.794595" z3="-1.751283"></atom>
<atom id="a38" elementType="O" x3="-3.286328" y3="0.843320" z3="-0.972059"></atom>
<atom id="a39" elementType="C" x3="-4.447248" y3="1.731213" z3="-0.886315"></atom>
<atom id="a40" elementType="H" x3="-5.165969" y3="1.440631" z3="-1.636952"></atom>
<atom id="a41" elementType="H" x3="-4.901532" y3="1.608850" z3="0.085093"></atom>
<atom id="a42" elementType="C" x3="-3.920943" y3="3.142423" z3="-1.097174"></atom>
<atom id="a43" elementType="H" x3="-3.512961" y3="3.243962" z3="-2.094470"></atom>
<atom id="a44" elementType="H" x3="-3.136995" y3="3.351593" z3="-0.383986"></atom>
<atom id="a45" elementType="H" x3="-4.723322" y3="3.860462" z3="-0.972615"></atom>
<atom id="a46" elementType="C" x3="3.819623" y3="-1.354606" z3="-2.169053"></atom>
<atom id="a47" elementType="H" x3="3.995884" y3="-1.822235" z3="-3.124587"></atom>
<atom id="a48" elementType="H" x3="3.811212" y3="-0.283633" z3="-2.276014"></atom>
<atom id="a49" elementType="C" x3="4.821332" y3="-1.814273" z3="-1.115300"></atom>
<atom id="a50" elementType="H" x3="4.788089" y3="-2.891155" z3="-1.011480"></atom>
<atom id="a51" elementType="H" x3="4.588853" y3="-1.362377" z3="-0.161321"></atom>
<atom id="a52" elementType="H" x3="5.823088" y3="-1.521148" z3="-1.406232"></atom>
<atom id="a53" elementType="Cl" x3="-1.923324" y3="0.973172" z3="2.167542"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364489386e+03</scalar>
<scalar title="Time">-13.1628</scalar>
<scalar title="Reaction Coordinate">-44</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.979349" y3="-0.599709" z3="-1.298504"></atom>
<atom id="a1" elementType="C" x3="-2.237400" y3="-2.464080" z3="-0.188091"></atom>
<atom id="a2" elementType="C" x3="0.162634" y3="-2.692553" z3="-0.488657"></atom>
<atom id="a3" elementType="N" x3="-1.061475" y3="-3.180374" z3="-0.090812"></atom>
<atom id="a4" elementType="C" x3="0.244487" y3="-1.484842" z3="-1.055545"></atom>
<atom id="a5" elementType="C" x3="-2.234628" y3="-1.234225" z3="-0.711617"></atom>
<atom id="a6" elementType="H" x3="-0.818991" y3="0.359647" z3="-0.829350"></atom>
<atom id="a7" elementType="H" x3="-1.095180" y3="-4.083178" z3="0.327325"></atom>
<atom id="a8" elementType="C" x3="-1.162814" y3="-0.354150" z3="-2.815538"></atom>
<atom id="a9" elementType="H" x3="-1.314666" y3="-1.299063" z3="-3.323131"></atom>
<atom id="a10" elementType="H" x3="-0.286514" y3="0.134296" z3="-3.221342"></atom>
<atom id="a11" elementType="H" x3="-2.018379" y3="0.284795" z3="-2.980802"></atom>
<atom id="a12" elementType="C" x3="-3.444933" y3="-3.191103" z3="0.369912"></atom>
<atom id="a13" elementType="H" x3="-3.994048" y3="-2.560920" z3="1.049976"></atom>
<atom id="a14" elementType="H" x3="-3.132660" y3="-4.090466" z3="0.885110"></atom>
<atom id="a15" elementType="H" x3="-4.123964" y3="-3.453929" z3="-0.428585"></atom>
<atom id="a16" elementType="C" x3="1.320324" y3="-3.616416" z3="-0.159238"></atom>
<atom id="a17" elementType="H" x3="0.990580" y3="-4.387341" z3="0.525339"></atom>
<atom id="a18" elementType="H" x3="2.122142" y3="-3.064939" z3="0.302875"></atom>
<atom id="a19" elementType="H" x3="1.704309" y3="-4.074019" z3="-1.058124"></atom>
<atom id="a20" elementType="C" x3="1.513873" y3="-0.900455" z3="-1.483966"></atom>
<atom id="a21" elementType="C" x3="-3.482888" y3="-0.470268" z3="-0.723746"></atom>
<atom id="a22" elementType="O" x3="-4.598597" y3="-0.902645" z3="-0.510529"></atom>
<atom id="a23" elementType="O" x3="1.697109" y3="0.298303" z3="-1.600937"></atom>
<atom id="a24" elementType="C" x3="2.018010" y3="0.353253" z3="1.416095"></atom>
<atom id="a25" elementType="C" x3="-0.298847" y3="1.115603" z3="1.653082"></atom>
<atom id="a26" elementType="C" x3="1.444632" y3="2.566984" z3="0.520698"></atom>
<atom id="a27" elementType="C" x3="0.017201" y3="2.358391" z3="0.895398"></atom>
<atom id="a28" elementType="C" x3="2.363051" y3="1.646862" z3="0.762488"></atom>
<atom id="a29" elementType="C" x3="0.623364" y3="0.203813" z3="1.902503"></atom>
<atom id="a30" elementType="O" x3="2.843852" y3="-0.519288" z3="1.537897"></atom>
<atom id="a31" elementType="O" x3="-0.821676" y3="3.173123" z3="0.604798"></atom>
<atom id="a32" elementType="Cl" x3="0.315442" y3="-1.231376" z3="2.787544"></atom>
<atom id="a33" elementType="C" x3="1.735019" y3="3.785436" z3="-0.145877"></atom>
<atom id="a34" elementType="C" x3="3.721629" y3="1.786063" z3="0.377970"></atom>
<atom id="a35" elementType="N" x3="4.815605" y3="1.876514" z3="0.076555"></atom>
<atom id="a36" elementType="N" x3="1.964213" y3="4.764225" z3="-0.679930"></atom>
<atom id="a37" elementType="O" x3="2.481636" y3="-1.796006" z3="-1.753248"></atom>
<atom id="a38" elementType="O" x3="-3.290358" y3="0.845176" z3="-0.968850"></atom>
<atom id="a39" elementType="C" x3="-4.453957" y3="1.729552" z3="-0.881884"></atom>
<atom id="a40" elementType="H" x3="-5.171856" y3="1.438017" z3="-1.632889"></atom>
<atom id="a41" elementType="H" x3="-4.907803" y3="1.604266" z3="0.089383"></atom>
<atom id="a42" elementType="C" x3="-3.931809" y3="3.142620" z3="-1.090400"></atom>
<atom id="a43" elementType="H" x3="-3.525808" y3="3.247611" z3="-2.088219"></atom>
<atom id="a44" elementType="H" x3="-3.146971" y3="3.352038" z3="-0.378179"></atom>
<atom id="a45" elementType="H" x3="-4.735859" y3="3.858287" z3="-0.962718"></atom>
<atom id="a46" elementType="C" x3="3.819180" y3="-1.360305" z3="-2.171872"></atom>
<atom id="a47" elementType="H" x3="3.995030" y3="-1.832397" z3="-3.125245"></atom>
<atom id="a48" elementType="H" x3="3.812805" y3="-0.289779" z3="-2.283414"></atom>
<atom id="a49" elementType="C" x3="4.819583" y3="-1.817321" z3="-1.115638"></atom>
<atom id="a50" elementType="H" x3="4.784228" y3="-2.893690" z3="-1.007193"></atom>
<atom id="a51" elementType="H" x3="4.587746" y3="-1.360941" z3="-0.163627"></atom>
<atom id="a52" elementType="H" x3="5.822017" y3="-1.527454" z3="-1.407434"></atom>
<atom id="a53" elementType="Cl" x3="-1.923930" y3="0.968479" z3="2.160779"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364489075e+03</scalar>
<scalar title="Time">-12.8635</scalar>
<scalar title="Reaction Coordinate">-43</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.977784" y3="-0.593442" z3="-1.293043"></atom>
<atom id="a1" elementType="C" x3="-2.235861" y3="-2.459559" z3="-0.184335"></atom>
<atom id="a2" elementType="C" x3="0.164389" y3="-2.686496" z3="-0.482268"></atom>
<atom id="a3" elementType="N" x3="-1.059102" y3="-3.173650" z3="-0.082450"></atom>
<atom id="a4" elementType="C" x3="0.245755" y3="-1.480159" z3="-1.052365"></atom>
<atom id="a5" elementType="C" x3="-2.233944" y3="-1.230745" z3="-0.710330"></atom>
<atom id="a6" elementType="H" x3="-0.818050" y3="0.363360" z3="-0.818619"></atom>
<atom id="a7" elementType="H" x3="-1.092140" y3="-4.075041" z3="0.338695"></atom>
<atom id="a8" elementType="C" x3="-1.159472" y3="-0.339176" z3="-2.808801"></atom>
<atom id="a9" elementType="H" x3="-1.310806" y3="-1.281057" z3="-3.321949"></atom>
<atom id="a10" elementType="H" x3="-0.282663" y3="0.151478" z3="-3.210418"></atom>
<atom id="a11" elementType="H" x3="-2.014715" y3="0.300852" z3="-2.971208"></atom>
<atom id="a12" elementType="C" x3="-3.443351" y3="-3.187948" z3="0.372054"></atom>
<atom id="a13" elementType="H" x3="-3.996713" y3="-2.556973" z3="1.047983"></atom>
<atom id="a14" elementType="H" x3="-3.130219" y3="-4.084554" z3="0.891629"></atom>
<atom id="a15" elementType="H" x3="-4.118787" y3="-3.455695" z3="-0.427911"></atom>
<atom id="a16" elementType="C" x3="1.322227" y3="-3.609600" z3="-0.151058"></atom>
<atom id="a17" elementType="H" x3="0.993015" y3="-4.377484" z3="0.537276"></atom>
<atom id="a18" elementType="H" x3="2.124983" y3="-3.056725" z3="0.307696"></atom>
<atom id="a19" elementType="H" x3="1.704445" y3="-4.071183" z3="-1.048667"></atom>
<atom id="a20" elementType="C" x3="1.515467" y3="-0.898983" z3="-1.484487"></atom>
<atom id="a21" elementType="C" x3="-3.484204" y3="-0.469885" z3="-0.726225"></atom>
<atom id="a22" elementType="O" x3="-4.599617" y3="-0.906058" z3="-0.519325"></atom>
<atom id="a23" elementType="O" x3="1.701691" y3="0.299114" z3="-1.603140"></atom>
<atom id="a24" elementType="C" x3="2.018818" y3="0.351367" z3="1.415380"></atom>
<atom id="a25" elementType="C" x3="-0.298916" y3="1.112002" z3="1.648588"></atom>
<atom id="a26" elementType="C" x3="1.445179" y3="2.564376" z3="0.518492"></atom>
<atom id="a27" elementType="C" x3="0.017126" y3="2.354374" z3="0.890151"></atom>
<atom id="a28" elementType="C" x3="2.364002" y3="1.645225" z3="0.762362"></atom>
<atom id="a29" elementType="C" x3="0.623649" y3="0.201149" z3="1.899896"></atom>
<atom id="a30" elementType="O" x3="2.845085" y3="-0.520728" z3="1.538219"></atom>
<atom id="a31" elementType="O" x3="-0.822171" y3="3.167559" z3="0.596549"></atom>
<atom id="a32" elementType="Cl" x3="0.315485" y3="-1.233907" z3="2.785157"></atom>
<atom id="a33" elementType="C" x3="1.735780" y3="3.783057" z3="-0.147558"></atom>
<atom id="a34" elementType="C" x3="3.723212" y3="1.785606" z3="0.380494"></atom>
<atom id="a35" elementType="N" x3="4.817719" y3="1.877060" z3="0.081272"></atom>
<atom id="a36" elementType="N" x3="1.965211" y3="4.762155" z3="-0.680972"></atom>
<atom id="a37" elementType="O" x3="2.480137" y3="-1.797508" z3="-1.755164"></atom>
<atom id="a38" elementType="O" x3="-3.294371" y3="0.846968" z3="-0.965552"></atom>
<atom id="a39" elementType="C" x3="-4.460593" y3="1.727871" z3="-0.877347"></atom>
<atom id="a40" elementType="H" x3="-5.177806" y3="1.435264" z3="-1.628550"></atom>
<atom id="a41" elementType="H" x3="-4.913852" y3="1.599903" z3="0.093884"></atom>
<atom id="a42" elementType="C" x3="-3.942527" y3="3.142717" z3="-1.083901"></atom>
<atom id="a43" elementType="H" x3="-3.538761" y3="3.250848" z3="-2.082227"></atom>
<atom id="a44" elementType="H" x3="-3.156756" y3="3.352540" z3="-0.372875"></atom>
<atom id="a45" elementType="H" x3="-4.748145" y3="3.856015" z3="-0.953157"></atom>
<atom id="a46" elementType="C" x3="3.818759" y3="-1.366134" z3="-2.174570"></atom>
<atom id="a47" elementType="H" x3="3.994272" y3="-1.842918" z3="-3.125688"></atom>
<atom id="a48" elementType="H" x3="3.814440" y3="-0.296052" z3="-2.290859"></atom>
<atom id="a49" elementType="C" x3="4.817791" y3="-1.820339" z3="-1.115733"></atom>
<atom id="a50" elementType="H" x3="4.780342" y3="-2.896169" z3="-1.002515"></atom>
<atom id="a51" elementType="H" x3="4.586530" y3="-1.359372" z3="-0.165779"></atom>
<atom id="a52" elementType="H" x3="5.820942" y3="-1.533733" z3="-1.408369"></atom>
<atom id="a53" elementType="Cl" x3="-1.924553" y3="0.963794" z3="2.153979"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364488752e+03</scalar>
<scalar title="Time">-12.5643</scalar>
<scalar title="Reaction Coordinate">-42</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.976230" y3="-0.587226" z3="-1.287441"></atom>
<atom id="a1" elementType="C" x3="-2.234318" y3="-2.455110" z3="-0.180605"></atom>
<atom id="a2" elementType="C" x3="0.166142" y3="-2.680482" z3="-0.475943"></atom>
<atom id="a3" elementType="N" x3="-1.056705" y3="-3.166953" z3="-0.074103"></atom>
<atom id="a4" elementType="C" x3="0.247023" y3="-1.475484" z3="-1.049205"></atom>
<atom id="a5" elementType="C" x3="-2.233248" y3="-1.227336" z3="-0.709051"></atom>
<atom id="a6" elementType="H" x3="-0.816982" y3="0.367158" z3="-0.807648"></atom>
<atom id="a7" elementType="H" x3="-1.089134" y3="-4.067047" z3="0.349892"></atom>
<atom id="a8" elementType="C" x3="-1.156078" y3="-0.323653" z3="-2.801830"></atom>
<atom id="a9" elementType="H" x3="-1.307144" y3="-1.262268" z3="-3.321155"></atom>
<atom id="a10" elementType="H" x3="-0.278766" y3="0.169283" z3="-3.199440"></atom>
<atom id="a11" elementType="H" x3="-2.010953" y3="0.317534" z3="-2.961098"></atom>
<atom id="a12" elementType="C" x3="-3.441756" y3="-3.184857" z3="0.374188"></atom>
<atom id="a13" elementType="H" x3="-3.999079" y3="-2.553337" z3="1.046265"></atom>
<atom id="a14" elementType="H" x3="-3.127851" y3="-4.078867" z3="0.897690"></atom>
<atom id="a15" elementType="H" x3="-4.113761" y3="-3.457092" z3="-0.427092"></atom>
<atom id="a16" elementType="C" x3="1.324129" y3="-3.602838" z3="-0.142975"></atom>
<atom id="a17" elementType="H" x3="0.995443" y3="-4.367692" z3="0.548974"></atom>
<atom id="a18" elementType="H" x3="2.127803" y3="-3.048662" z3="0.312531"></atom>
<atom id="a19" elementType="H" x3="1.704652" y3="-4.068308" z3="-1.039296"></atom>
<atom id="a20" elementType="C" x3="1.517074" y3="-0.897578" z3="-1.484991"></atom>
<atom id="a21" elementType="C" x3="-3.485487" y3="-0.469540" z3="-0.728579"></atom>
<atom id="a22" elementType="O" x3="-4.600538" y3="-0.909485" z3="-0.527860"></atom>
<atom id="a23" elementType="O" x3="1.706326" y3="0.299840" z3="-1.605364"></atom>
<atom id="a24" elementType="C" x3="2.019594" y3="0.349494" z3="1.414620"></atom>
<atom id="a25" elementType="C" x3="-0.298998" y3="1.108456" z3="1.644034"></atom>
<atom id="a26" elementType="C" x3="1.445693" y3="2.561823" z3="0.516285"></atom>
<atom id="a27" elementType="C" x3="0.017056" y3="2.350409" z3="0.884938"></atom>
<atom id="a28" elementType="C" x3="2.364912" y3="1.643592" z3="0.762144"></atom>
<atom id="a29" elementType="C" x3="0.623934" y3="0.198461" z3="1.897210"></atom>
<atom id="a30" elementType="O" x3="2.846241" y3="-0.522126" z3="1.538459"></atom>
<atom id="a31" elementType="O" x3="-0.822672" y3="3.162049" z3="0.588316"></atom>
<atom id="a32" elementType="Cl" x3="0.315477" y3="-1.236458" z3="2.782628"></atom>
<atom id="a33" elementType="C" x3="1.736528" y3="3.780761" z3="-0.149176"></atom>
<atom id="a34" elementType="C" x3="3.724727" y3="1.785133" z3="0.382866"></atom>
<atom id="a35" elementType="N" x3="4.819741" y3="1.877590" z3="0.085809"></atom>
<atom id="a36" elementType="N" x3="1.966198" y3="4.760184" z3="-0.681883"></atom>
<atom id="a37" elementType="O" x3="2.478616" y3="-1.799086" z3="-1.756996"></atom>
<atom id="a38" elementType="O" x3="-3.298388" y3="0.848681" z3="-0.962161"></atom>
<atom id="a39" elementType="C" x3="-4.467142" y3="1.726190" z3="-0.872711"></atom>
<atom id="a40" elementType="H" x3="-5.183809" y3="1.432415" z3="-1.623929"></atom>
<atom id="a41" elementType="H" x3="-4.919632" y3="1.595777" z3="0.098581"></atom>
<atom id="a42" elementType="C" x3="-3.953082" y3="3.142696" z3="-1.077695"></atom>
<atom id="a43" elementType="H" x3="-3.551608" y3="3.253729" z3="-2.076677"></atom>
<atom id="a44" elementType="H" x3="-3.166210" y3="3.352987" z3="-0.367964"></atom>
<atom id="a45" elementType="H" x3="-4.760181" y3="3.853782" z3="-0.943944"></atom>
<atom id="a46" elementType="C" x3="3.818350" y3="-1.372103" z3="-2.177116"></atom>
<atom id="a47" elementType="H" x3="3.993564" y3="-1.853490" z3="-3.125939"></atom>
<atom id="a48" elementType="H" x3="3.816062" y3="-0.302530" z3="-2.298165"></atom>
<atom id="a49" elementType="C" x3="4.815973" y3="-1.823320" z3="-1.115595"></atom>
<atom id="a50" elementType="H" x3="4.776519" y3="-2.898554" z3="-0.997537"></atom>
<atom id="a51" elementType="H" x3="4.585194" y3="-1.357723" z3="-0.167800"></atom>
<atom id="a52" elementType="H" x3="5.819806" y3="-1.539917" z3="-1.408983"></atom>
<atom id="a53" elementType="Cl" x3="-1.925194" y3="0.959111" z3="2.147128"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364488416e+03</scalar>
<scalar title="Time">-12.2649</scalar>
<scalar title="Reaction Coordinate">-41</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.974653" y3="-0.580909" z3="-1.281741"></atom>
<atom id="a1" elementType="C" x3="-2.232762" y3="-2.450689" z3="-0.176902"></atom>
<atom id="a2" elementType="C" x3="0.167898" y3="-2.674494" z3="-0.469677"></atom>
<atom id="a3" elementType="N" x3="-1.054305" y3="-3.160280" z3="-0.065838"></atom>
<atom id="a4" elementType="C" x3="0.248296" y3="-1.470824" z3="-1.046074"></atom>
<atom id="a5" elementType="C" x3="-2.232552" y3="-1.223941" z3="-0.707745"></atom>
<atom id="a6" elementType="H" x3="-0.816176" y3="0.370609" z3="-0.796351"></atom>
<atom id="a7" elementType="H" x3="-1.086063" y3="-4.058919" z3="0.361156"></atom>
<atom id="a8" elementType="C" x3="-1.152654" y3="-0.307752" z3="-2.794623"></atom>
<atom id="a9" elementType="H" x3="-1.303332" y3="-1.243008" z3="-3.320052"></atom>
<atom id="a10" elementType="H" x3="-0.274858" y3="0.187484" z3="-3.187745"></atom>
<atom id="a11" elementType="H" x3="-2.007158" y3="0.334580" z3="-2.950574"></atom>
<atom id="a12" elementType="C" x3="-3.440122" y3="-3.181827" z3="0.376302"></atom>
<atom id="a13" elementType="H" x3="-4.001188" y3="-2.549856" z3="1.044871"></atom>
<atom id="a14" elementType="H" x3="-3.125466" y3="-4.073473" z3="0.903441"></atom>
<atom id="a15" elementType="H" x3="-4.108912" y3="-3.458222" z3="-0.426261"></atom>
<atom id="a16" elementType="C" x3="1.326017" y3="-3.596132" z3="-0.134977"></atom>
<atom id="a17" elementType="H" x3="0.997818" y3="-4.358034" z3="0.560416"></atom>
<atom id="a18" elementType="H" x3="2.130529" y3="-3.040744" z3="0.317417"></atom>
<atom id="a19" elementType="H" x3="1.704904" y3="-4.065321" z3="-1.029983"></atom>
<atom id="a20" elementType="C" x3="1.518684" y3="-0.896209" z3="-1.485510"></atom>
<atom id="a21" elementType="C" x3="-3.486754" y3="-0.469241" z3="-0.730803"></atom>
<atom id="a22" elementType="O" x3="-4.601374" y3="-0.912909" z3="-0.536126"></atom>
<atom id="a23" elementType="O" x3="1.711009" y3="0.300503" z3="-1.607611"></atom>
<atom id="a24" elementType="C" x3="2.020332" y3="0.347620" z3="1.413767"></atom>
<atom id="a25" elementType="C" x3="-0.299115" y3="1.104912" z3="1.639463"></atom>
<atom id="a26" elementType="C" x3="1.446190" y3="2.559305" z3="0.514060"></atom>
<atom id="a27" elementType="C" x3="0.016953" y3="2.346483" z3="0.879709"></atom>
<atom id="a28" elementType="C" x3="2.365779" y3="1.641973" z3="0.761853"></atom>
<atom id="a29" elementType="C" x3="0.624171" y3="0.195789" z3="1.894456"></atom>
<atom id="a30" elementType="O" x3="2.847380" y3="-0.523513" z3="1.538636"></atom>
<atom id="a31" elementType="O" x3="-0.823182" y3="3.156578" z3="0.580094"></atom>
<atom id="a32" elementType="Cl" x3="0.315412" y3="-1.239048" z3="2.779963"></atom>
<atom id="a33" elementType="C" x3="1.737255" y3="3.778530" z3="-0.150745"></atom>
<atom id="a34" elementType="C" x3="3.726178" y3="1.784650" z3="0.385106"></atom>
<atom id="a35" elementType="N" x3="4.821666" y3="1.878086" z3="0.090148"></atom>
<atom id="a36" elementType="N" x3="1.967177" y3="4.758327" z3="-0.682663"></atom>
<atom id="a37" elementType="O" x3="2.477105" y3="-1.800731" z3="-1.758754"></atom>
<atom id="a38" elementType="O" x3="-3.302405" y3="0.850320" z3="-0.958693"></atom>
<atom id="a39" elementType="C" x3="-4.473608" y3="1.724508" z3="-0.867998"></atom>
<atom id="a40" elementType="H" x3="-5.189849" y3="1.429471" z3="-1.619085"></atom>
<atom id="a41" elementType="H" x3="-4.925206" y3="1.591885" z3="0.103448"></atom>
<atom id="a42" elementType="C" x3="-3.963424" y3="3.142578" z3="-1.071767"></atom>
<atom id="a43" elementType="H" x3="-3.564298" y3="3.256175" z3="-2.071367"></atom>
<atom id="a44" elementType="H" x3="-3.175464" y3="3.353466" z3="-0.363421"></atom>
<atom id="a45" elementType="H" x3="-4.771914" y3="3.851520" z3="-0.935178"></atom>
<atom id="a46" elementType="C" x3="3.817956" y3="-1.378138" z3="-2.179514"></atom>
<atom id="a47" elementType="H" x3="3.992922" y3="-1.864423" z3="-3.125827"></atom>
<atom id="a48" elementType="H" x3="3.817723" y3="-0.309147" z3="-2.305574"></atom>
<atom id="a49" elementType="C" x3="4.814128" y3="-1.826254" z3="-1.115231"></atom>
<atom id="a50" elementType="H" x3="4.772676" y3="-2.900865" z3="-0.992311"></atom>
<atom id="a51" elementType="H" x3="4.583790" y3="-1.356029" z3="-0.169628"></atom>
<atom id="a52" elementType="H" x3="5.818663" y3="-1.546062" z3="-1.409318"></atom>
<atom id="a53" elementType="Cl" x3="-1.925851" y3="0.954432" z3="2.140237"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364488066e+03</scalar>
<scalar title="Time">-11.9656</scalar>
<scalar title="Reaction Coordinate">-40</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.973075" y3="-0.574629" z3="-1.275901"></atom>
<atom id="a1" elementType="C" x3="-2.231193" y3="-2.446346" z3="-0.173234"></atom>
<atom id="a2" elementType="C" x3="0.169657" y3="-2.668564" z3="-0.463482"></atom>
<atom id="a3" elementType="N" x3="-1.051908" y3="-3.153637" z3="-0.057623"></atom>
<atom id="a4" elementType="C" x3="0.249556" y3="-1.466224" z3="-1.042996"></atom>
<atom id="a5" elementType="C" x3="-2.231839" y3="-1.220617" z3="-0.706444"></atom>
<atom id="a6" elementType="H" x3="-0.814912" y3="0.374061" z3="-0.784659"></atom>
<atom id="a7" elementType="H" x3="-1.083058" y3="-4.051052" z3="0.372134"></atom>
<atom id="a8" elementType="C" x3="-1.149168" y3="-0.291289" z3="-2.787117"></atom>
<atom id="a9" elementType="H" x3="-1.299424" y3="-1.222799" z3="-3.319330"></atom>
<atom id="a10" elementType="H" x3="-0.270787" y3="0.206463" z3="-3.175715"></atom>
<atom id="a11" elementType="H" x3="-2.003284" y3="0.352277" z3="-2.939590"></atom>
<atom id="a12" elementType="C" x3="-3.438464" y3="-3.178870" z3="0.378421"></atom>
<atom id="a13" elementType="H" x3="-4.002943" y3="-2.546627" z3="1.043798"></atom>
<atom id="a14" elementType="H" x3="-3.123105" y3="-4.068324" z3="0.908781"></atom>
<atom id="a15" elementType="H" x3="-4.104267" y3="-3.459012" z3="-0.425256"></atom>
<atom id="a16" elementType="C" x3="1.327888" y3="-3.589503" z3="-0.127069"></atom>
<atom id="a17" elementType="H" x3="1.000162" y3="-4.348409" z3="0.571853"></atom>
<atom id="a18" elementType="H" x3="2.133297" y3="-3.032888" z3="0.322152"></atom>
<atom id="a19" elementType="H" x3="1.705125" y3="-4.062505" z3="-1.020776"></atom>
<atom id="a20" elementType="C" x3="1.520303" y3="-0.894936" z3="-1.486039"></atom>
<atom id="a21" elementType="C" x3="-3.487989" y3="-0.468983" z3="-0.732885"></atom>
<atom id="a22" elementType="O" x3="-4.602137" y3="-0.916341" z3="-0.544080"></atom>
<atom id="a23" elementType="O" x3="1.715712" y3="0.301074" z3="-1.609906"></atom>
<atom id="a24" elementType="C" x3="2.021007" y3="0.345747" z3="1.412807"></atom>
<atom id="a25" elementType="C" x3="-0.299265" y3="1.101408" z3="1.634857"></atom>
<atom id="a26" elementType="C" x3="1.446629" y3="2.556813" z3="0.511796"></atom>
<atom id="a27" elementType="C" x3="0.016823" y3="2.342605" z3="0.874475"></atom>
<atom id="a28" elementType="C" x3="2.366577" y3="1.640345" z3="0.761453"></atom>
<atom id="a29" elementType="C" x3="0.624352" y3="0.193118" z3="1.891602"></atom>
<atom id="a30" elementType="O" x3="2.848478" y3="-0.524894" z3="1.538743"></atom>
<atom id="a31" elementType="O" x3="-0.823700" y3="3.151170" z3="0.571903"></atom>
<atom id="a32" elementType="Cl" x3="0.315294" y3="-1.241655" z3="2.777161"></atom>
<atom id="a33" elementType="C" x3="1.737958" y3="3.776387" z3="-0.152252"></atom>
<atom id="a34" elementType="C" x3="3.727551" y3="1.784163" z3="0.387201"></atom>
<atom id="a35" elementType="N" x3="4.823506" y3="1.878564" z3="0.094298"></atom>
<atom id="a36" elementType="N" x3="1.968145" y3="4.756576" z3="-0.683308"></atom>
<atom id="a37" elementType="O" x3="2.475592" y3="-1.802455" z3="-1.760416"></atom>
<atom id="a38" elementType="O" x3="-3.306405" y3="0.851858" z3="-0.955152"></atom>
<atom id="a39" elementType="C" x3="-4.479948" y3="1.722831" z3="-0.863234"></atom>
<atom id="a40" elementType="H" x3="-5.195884" y3="1.426477" z3="-1.614046"></atom>
<atom id="a41" elementType="H" x3="-4.930532" y3="1.588252" z3="0.108448"></atom>
<atom id="a42" elementType="C" x3="-3.973495" y3="3.142346" z3="-1.066136"></atom>
<atom id="a43" elementType="H" x3="-3.576782" y3="3.258240" z3="-2.066466"></atom>
<atom id="a44" elementType="H" x3="-3.184340" y3="3.353889" z3="-0.359293"></atom>
<atom id="a45" elementType="H" x3="-4.783263" y3="3.849299" z3="-0.926806"></atom>
<atom id="a46" elementType="C" x3="3.817573" y3="-1.384266" z3="-2.181755"></atom>
<atom id="a47" elementType="H" x3="3.992367" y3="-1.875306" z3="-3.125693"></atom>
<atom id="a48" elementType="H" x3="3.819335" y3="-0.315799" z3="-2.312755"></atom>
<atom id="a49" elementType="C" x3="4.812273" y3="-1.829109" z3="-1.114638"></atom>
<atom id="a50" elementType="H" x3="4.768931" y3="-2.903063" z3="-0.986695"></atom>
<atom id="a51" elementType="H" x3="4.582298" y3="-1.354146" z3="-0.171328"></atom>
<atom id="a52" elementType="H" x3="5.817480" y3="-1.552059" z3="-1.409417"></atom>
<atom id="a53" elementType="Cl" x3="-1.926542" y3="0.949771" z3="2.133338"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364487703e+03</scalar>
<scalar title="Time">-11.6664</scalar>
<scalar title="Reaction Coordinate">-39</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.971537" y3="-0.568263" z3="-1.269989"></atom>
<atom id="a1" elementType="C" x3="-2.229625" y3="-2.442089" z3="-0.169601"></atom>
<atom id="a2" elementType="C" x3="0.171395" y3="-2.662660" z3="-0.457355"></atom>
<atom id="a3" elementType="N" x3="-1.049504" y3="-3.147045" z3="-0.049479"></atom>
<atom id="a4" elementType="C" x3="0.250802" y3="-1.461624" z3="-1.039945"></atom>
<atom id="a5" elementType="C" x3="-2.231153" y3="-1.217364" z3="-0.705169"></atom>
<atom id="a6" elementType="H" x3="-0.814197" y3="0.377271" z3="-0.772666"></atom>
<atom id="a7" elementType="H" x3="-1.079977" y3="-4.042983" z3="0.383144"></atom>
<atom id="a8" elementType="C" x3="-1.145676" y3="-0.274389" z3="-2.779349"></atom>
<atom id="a9" elementType="H" x3="-1.295508" y3="-1.202131" z3="-3.318195"></atom>
<atom id="a10" elementType="H" x3="-0.266818" y3="0.225840" z3="-3.163084"></atom>
<atom id="a11" elementType="H" x3="-1.999448" y3="0.370319" z3="-2.928112"></atom>
<atom id="a12" elementType="C" x3="-3.436784" y3="-3.176000" z3="0.380556"></atom>
<atom id="a13" elementType="H" x3="-4.004433" y3="-2.543578" z3="1.043103"></atom>
<atom id="a14" elementType="H" x3="-3.120767" y3="-4.063513" z3="0.913810"></atom>
<atom id="a15" elementType="H" x3="-4.099844" y3="-3.459515" z3="-0.424196"></atom>
<atom id="a16" elementType="C" x3="1.329749" y3="-3.582910" z3="-0.119239"></atom>
<atom id="a17" elementType="H" x3="1.002482" y3="-4.338867" z3="0.583071"></atom>
<atom id="a18" elementType="H" x3="2.136013" y3="-3.025143" z3="0.326885"></atom>
<atom id="a19" elementType="H" x3="1.705342" y3="-4.059607" z3="-1.011627"></atom>
<atom id="a20" elementType="C" x3="1.521901" y3="-0.893689" z3="-1.486572"></atom>
<atom id="a21" elementType="C" x3="-3.489224" y3="-0.468790" z3="-0.734847"></atom>
<atom id="a22" elementType="O" x3="-4.602843" y3="-0.919773" z3="-0.551732"></atom>
<atom id="a23" elementType="O" x3="1.720436" y3="0.301581" z3="-1.612249"></atom>
<atom id="a24" elementType="C" x3="2.021644" y3="0.343877" z3="1.411790"></atom>
<atom id="a25" elementType="C" x3="-0.299403" y3="1.097906" z3="1.630219"></atom>
<atom id="a26" elementType="C" x3="1.447045" y3="2.554345" z3="0.509504"></atom>
<atom id="a27" elementType="C" x3="0.016683" y3="2.338765" z3="0.869247"></atom>
<atom id="a28" elementType="C" x3="2.367326" y3="1.638710" z3="0.760952"></atom>
<atom id="a29" elementType="C" x3="0.624548" y3="0.190451" z3="1.888709"></atom>
<atom id="a30" elementType="O" x3="2.849537" y3="-0.526268" z3="1.538783"></atom>
<atom id="a31" elementType="O" x3="-0.824220" y3="3.145826" z3="0.563739"></atom>
<atom id="a32" elementType="Cl" x3="0.315120" y3="-1.244287" z3="2.774233"></atom>
<atom id="a33" elementType="C" x3="1.738643" y3="3.774294" z3="-0.153721"></atom>
<atom id="a34" elementType="C" x3="3.728854" y3="1.783653" z3="0.389157"></atom>
<atom id="a35" elementType="N" x3="4.825272" y3="1.879029" z3="0.098284"></atom>
<atom id="a36" elementType="N" x3="1.969115" y3="4.754958" z3="-0.683794"></atom>
<atom id="a37" elementType="O" x3="2.474088" y3="-1.804236" z3="-1.761981"></atom>
<atom id="a38" elementType="O" x3="-3.310405" y3="0.853286" z3="-0.951546"></atom>
<atom id="a39" elementType="C" x3="-4.486169" y3="1.721166" z3="-0.858434"></atom>
<atom id="a40" elementType="H" x3="-5.201907" y3="1.423434" z3="-1.608848"></atom>
<atom id="a41" elementType="H" x3="-4.935646" y3="1.584868" z3="0.113560"></atom>
<atom id="a42" elementType="C" x3="-3.983268" y3="3.142016" z3="-1.060796"></atom>
<atom id="a43" elementType="H" x3="-3.589002" y3="3.259897" z3="-2.061836"></atom>
<atom id="a44" elementType="H" x3="-3.192893" y3="3.354284" z3="-0.355521"></atom>
<atom id="a45" elementType="H" x3="-4.794192" y3="3.847097" z3="-0.918856"></atom>
<atom id="a46" elementType="C" x3="3.817194" y3="-1.390431" z3="-2.183816"></atom>
<atom id="a47" elementType="H" x3="3.991819" y3="-1.886364" z3="-3.125083"></atom>
<atom id="a48" elementType="H" x3="3.820946" y3="-0.322678" z3="-2.319936"></atom>
<atom id="a49" elementType="C" x3="4.810403" y3="-1.831872" z3="-1.113837"></atom>
<atom id="a50" elementType="H" x3="4.765179" y3="-2.905140" z3="-0.980901"></atom>
<atom id="a51" elementType="H" x3="4.580757" y3="-1.352209" z3="-0.172851"></atom>
<atom id="a52" elementType="H" x3="5.816289" y3="-1.557957" z3="-1.409233"></atom>
<atom id="a53" elementType="Cl" x3="-1.927228" y3="0.945103" z3="2.126362"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364487324e+03</scalar>
<scalar title="Time">-11.3672</scalar>
<scalar title="Reaction Coordinate">-38</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.969997" y3="-0.562013" z3="-1.263926"></atom>
<atom id="a1" elementType="C" x3="-2.228066" y3="-2.437904" z3="-0.165991"></atom>
<atom id="a2" elementType="C" x3="0.173137" y3="-2.656837" z3="-0.451306"></atom>
<atom id="a3" elementType="N" x3="-1.047104" y3="-3.140510" z3="-0.041404"></atom>
<atom id="a4" elementType="C" x3="0.252018" y3="-1.457106" z3="-1.036985"></atom>
<atom id="a5" elementType="C" x3="-2.230489" y3="-1.214204" z3="-0.703873"></atom>
<atom id="a6" elementType="H" x3="-0.812983" y3="0.380278" z3="-0.760224"></atom>
<atom id="a7" elementType="H" x3="-1.076918" y3="-4.035204" z3="0.394057"></atom>
<atom id="a8" elementType="C" x3="-1.142165" y3="-0.256877" z3="-2.771306"></atom>
<atom id="a9" elementType="H" x3="-1.291522" y3="-1.180365" z3="-3.317564"></atom>
<atom id="a10" elementType="H" x3="-0.262765" y3="0.246010" z3="-3.149979"></atom>
<atom id="a11" elementType="H" x3="-1.995526" y3="0.389093" z3="-2.916099"></atom>
<atom id="a12" elementType="C" x3="-3.435072" y3="-3.173228" z3="0.382705"></atom>
<atom id="a13" elementType="H" x3="-4.005592" y3="-2.540795" z3="1.042764"></atom>
<atom id="a14" elementType="H" x3="-3.118391" y3="-4.058977" z3="0.918468"></atom>
<atom id="a15" elementType="H" x3="-4.095628" y3="-3.459753" z3="-0.422978"></atom>
<atom id="a16" elementType="C" x3="1.331595" y3="-3.576403" z3="-0.111498"></atom>
<atom id="a17" elementType="H" x3="1.004771" y3="-4.329412" z3="0.594194"></atom>
<atom id="a18" elementType="H" x3="2.138701" y3="-3.017491" z3="0.331581"></atom>
<atom id="a19" elementType="H" x3="1.705616" y3="-4.056780" z3="-1.002561"></atom>
<atom id="a20" elementType="C" x3="1.523489" y3="-0.892532" z3="-1.487123"></atom>
<atom id="a21" elementType="C" x3="-3.490459" y3="-0.468665" z3="-0.736656"></atom>
<atom id="a22" elementType="O" x3="-4.603498" y3="-0.923203" z3="-0.559052"></atom>
<atom id="a23" elementType="O" x3="1.725146" y3="0.302014" z3="-1.614642"></atom>
<atom id="a24" elementType="C" x3="2.022242" y3="0.342014" z3="1.410674"></atom>
<atom id="a25" elementType="C" x3="-0.299604" y3="1.094481" z3="1.625553"></atom>
<atom id="a26" elementType="C" x3="1.447414" y3="2.551899" z3="0.507153"></atom>
<atom id="a27" elementType="C" x3="0.016533" y3="2.334974" z3="0.864013"></atom>
<atom id="a28" elementType="C" x3="2.368026" y3="1.637062" z3="0.760337"></atom>
<atom id="a29" elementType="C" x3="0.624658" y3="0.187814" z3="1.885730"></atom>
<atom id="a30" elementType="O" x3="2.850543" y3="-0.527621" z3="1.538751"></atom>
<atom id="a31" elementType="O" x3="-0.824744" y3="3.140531" z3="0.555609"></atom>
<atom id="a32" elementType="Cl" x3="0.314887" y3="-1.246943" z3="2.771178"></atom>
<atom id="a33" elementType="C" x3="1.739304" y3="3.772274" z3="-0.155136"></atom>
<atom id="a34" elementType="C" x3="3.730090" y3="1.783127" z3="0.390950"></atom>
<atom id="a35" elementType="N" x3="4.826950" y3="1.879478" z3="0.102086"></atom>
<atom id="a36" elementType="N" x3="1.970077" y3="4.753453" z3="-0.684125"></atom>
<atom id="a37" elementType="O" x3="2.472589" y3="-1.806056" z3="-1.763411"></atom>
<atom id="a38" elementType="O" x3="-3.314373" y3="0.854612" z3="-0.947891"></atom>
<atom id="a39" elementType="C" x3="-4.492241" y3="1.719528" z3="-0.853620"></atom>
<atom id="a40" elementType="H" x3="-5.207876" y3="1.420384" z3="-1.603525"></atom>
<atom id="a41" elementType="H" x3="-4.940526" y3="1.581756" z3="0.118751"></atom>
<atom id="a42" elementType="C" x3="-3.992683" y3="3.141576" z3="-1.055751"></atom>
<atom id="a43" elementType="H" x3="-3.600878" y3="3.261176" z3="-2.057573"></atom>
<atom id="a44" elementType="H" x3="-3.201012" y3="3.354571" z3="-0.352123"></atom>
<atom id="a45" elementType="H" x3="-4.804621" y3="3.844982" z3="-0.911311"></atom>
<atom id="a46" elementType="C" x3="3.816841" y3="-1.396677" z3="-2.185773"></atom>
<atom id="a47" elementType="H" x3="3.991393" y3="-1.897667" z3="-3.124473"></atom>
<atom id="a48" elementType="H" x3="3.822565" y3="-0.329495" z3="-2.327149"></atom>
<atom id="a49" elementType="C" x3="4.808546" y3="-1.834512" z3="-1.112786"></atom>
<atom id="a50" elementType="H" x3="4.761559" y3="-2.907064" z3="-0.974668"></atom>
<atom id="a51" elementType="H" x3="4.579154" y3="-1.349996" z3="-0.174231"></atom>
<atom id="a52" elementType="H" x3="5.815081" y3="-1.563671" z3="-1.408809"></atom>
<atom id="a53" elementType="Cl" x3="-1.927945" y3="0.940450" z3="2.119374"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364486929e+03</scalar>
<scalar title="Time">-11.0679</scalar>
<scalar title="Reaction Coordinate">-37</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.968507" y3="-0.555669" z3="-1.257790"></atom>
<atom id="a1" elementType="C" x3="-2.226503" y3="-2.433814" z3="-0.162417"></atom>
<atom id="a2" elementType="C" x3="0.174867" y3="-2.651052" z3="-0.445329"></atom>
<atom id="a3" elementType="N" x3="-1.044709" y3="-3.134008" z3="-0.033383"></atom>
<atom id="a4" elementType="C" x3="0.253227" y3="-1.452621" z3="-1.034045"></atom>
<atom id="a5" elementType="C" x3="-2.229838" y3="-1.211102" z3="-0.702621"></atom>
<atom id="a6" elementType="H" x3="-0.812291" y3="0.383047" z3="-0.747539"></atom>
<atom id="a7" elementType="H" x3="-1.073886" y3="-4.027297" z3="0.404717"></atom>
<atom id="a8" elementType="C" x3="-1.138578" y3="-0.238918" z3="-2.762913"></atom>
<atom id="a9" elementType="H" x3="-1.287587" y3="-1.158032" z3="-3.316657"></atom>
<atom id="a10" elementType="H" x3="-0.258509" y3="0.266600" z3="-3.136352"></atom>
<atom id="a11" elementType="H" x3="-1.991501" y3="0.408432" z3="-2.903487"></atom>
<atom id="a12" elementType="C" x3="-3.433339" y3="-3.170520" z3="0.384890"></atom>
<atom id="a13" elementType="H" x3="-4.006488" y3="-2.538178" z3="1.042768"></atom>
<atom id="a14" elementType="H" x3="-3.116012" y3="-4.054704" z3="0.922829"></atom>
<atom id="a15" elementType="H" x3="-4.091617" y3="-3.459719" z3="-0.421647"></atom>
<atom id="a16" elementType="C" x3="1.333428" y3="-3.569938" z3="-0.103811"></atom>
<atom id="a17" elementType="H" x3="1.007019" y3="-4.320024" z3="0.605169"></atom>
<atom id="a18" elementType="H" x3="2.141349" y3="-3.009912" z3="0.336244"></atom>
<atom id="a19" elementType="H" x3="1.705884" y3="-4.053946" z3="-0.993537"></atom>
<atom id="a20" elementType="C" x3="1.525052" y3="-0.891391" z3="-1.487696"></atom>
<atom id="a21" elementType="C" x3="-3.491693" y3="-0.468596" z3="-0.738335"></atom>
<atom id="a22" elementType="O" x3="-4.604116" y3="-0.926647" z3="-0.566032"></atom>
<atom id="a23" elementType="O" x3="1.729818" y3="0.302371" z3="-1.617119"></atom>
<atom id="a24" elementType="C" x3="2.022786" y3="0.340129" z3="1.409476"></atom>
<atom id="a25" elementType="C" x3="-0.299800" y3="1.091013" z3="1.620839"></atom>
<atom id="a26" elementType="C" x3="1.447760" y3="2.549460" z3="0.504745"></atom>
<atom id="a27" elementType="C" x3="0.016334" y3="2.331210" z3="0.858748"></atom>
<atom id="a28" elementType="C" x3="2.368668" y3="1.635409" z3="0.759601"></atom>
<atom id="a29" elementType="C" x3="0.624773" y3="0.185147" z3="1.882679"></atom>
<atom id="a30" elementType="O" x3="2.851535" y3="-0.528970" z3="1.538678"></atom>
<atom id="a31" elementType="O" x3="-0.825275" y3="3.135285" z3="0.547483"></atom>
<atom id="a32" elementType="Cl" x3="0.314599" y3="-1.249622" z3="2.768005"></atom>
<atom id="a33" elementType="C" x3="1.739937" y3="3.770311" z3="-0.156531"></atom>
<atom id="a34" elementType="C" x3="3.731263" y3="1.782579" z3="0.392606"></atom>
<atom id="a35" elementType="N" x3="4.828552" y3="1.879911" z3="0.105721"></atom>
<atom id="a36" elementType="N" x3="1.971040" y3="4.752063" z3="-0.684298"></atom>
<atom id="a37" elementType="O" x3="2.471122" y3="-1.807914" z3="-1.764745"></atom>
<atom id="a38" elementType="O" x3="-3.318357" y3="0.855804" z3="-0.944177"></atom>
<atom id="a39" elementType="C" x3="-4.498180" y3="1.717920" z3="-0.848807"></atom>
<atom id="a40" elementType="H" x3="-5.213814" y3="1.417362" z3="-1.598113"></atom>
<atom id="a41" elementType="H" x3="-4.945235" y3="1.578921" z3="0.123995"></atom>
<atom id="a42" elementType="C" x3="-4.001717" y3="3.141052" z3="-1.050984"></atom>
<atom id="a43" elementType="H" x3="-3.612314" y3="3.262035" z3="-2.053589"></atom>
<atom id="a44" elementType="H" x3="-3.208755" y3="3.354800" z3="-0.349015"></atom>
<atom id="a45" elementType="H" x3="-4.814570" y3="3.842933" z3="-0.904254"></atom>
<atom id="a46" elementType="C" x3="3.816500" y3="-1.402881" z3="-2.187503"></atom>
<atom id="a47" elementType="H" x3="3.990982" y3="-1.908827" z3="-3.123505"></atom>
<atom id="a48" elementType="H" x3="3.824143" y3="-0.336434" z3="-2.334086"></atom>
<atom id="a49" elementType="C" x3="4.806698" y3="-1.837080" z3="-1.111578"></atom>
<atom id="a50" elementType="H" x3="4.758022" y3="-2.908888" z3="-0.968396"></atom>
<atom id="a51" elementType="H" x3="4.577499" y3="-1.347864" z3="-0.175445"></atom>
<atom id="a52" elementType="H" x3="5.813872" y3="-1.569206" z3="-1.408149"></atom>
<atom id="a53" elementType="Cl" x3="-1.928691" y3="0.935794" z3="2.112345"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364486516e+03</scalar>
<scalar title="Time">-10.7684</scalar>
<scalar title="Reaction Coordinate">-36</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.966971" y3="-0.549401" z3="-1.251519"></atom>
<atom id="a1" elementType="C" x3="-2.224951" y3="-2.429806" z3="-0.158872"></atom>
<atom id="a2" elementType="C" x3="0.176573" y3="-2.645351" z3="-0.439420"></atom>
<atom id="a3" elementType="N" x3="-1.042326" y3="-3.127592" z3="-0.025432"></atom>
<atom id="a4" elementType="C" x3="0.254389" y3="-1.448226" z3="-1.031223"></atom>
<atom id="a5" elementType="C" x3="-2.229215" y3="-1.208105" z3="-0.701370"></atom>
<atom id="a6" elementType="H" x3="-0.811046" y3="0.385622" z3="-0.734416"></atom>
<atom id="a7" elementType="H" x3="-1.070796" y3="-4.019597" z3="0.415534"></atom>
<atom id="a8" elementType="C" x3="-1.135019" y3="-0.220337" z3="-2.754221"></atom>
<atom id="a9" elementType="H" x3="-1.283595" y3="-1.134718" z3="-3.315861"></atom>
<atom id="a10" elementType="H" x3="-0.254395" y3="0.287837" z3="-3.122022"></atom>
<atom id="a11" elementType="H" x3="-1.987453" y3="0.428317" z3="-2.890460"></atom>
<atom id="a12" elementType="C" x3="-3.431593" y3="-3.167927" z3="0.387114"></atom>
<atom id="a13" elementType="H" x3="-4.007047" y3="-2.535754" z3="1.043225"></atom>
<atom id="a14" elementType="H" x3="-3.113655" y3="-4.050803" z3="0.926895"></atom>
<atom id="a15" elementType="H" x3="-4.087898" y3="-3.459389" z3="-0.420186"></atom>
<atom id="a16" elementType="C" x3="1.335248" y3="-3.563548" z3="-0.096205"></atom>
<atom id="a17" elementType="H" x3="1.009256" y3="-4.310778" z3="0.616002"></atom>
<atom id="a18" elementType="H" x3="2.143933" y3="-3.002426" z3="0.340966"></atom>
<atom id="a19" elementType="H" x3="1.706254" y3="-4.051080" z3="-0.984582"></atom>
<atom id="a20" elementType="C" x3="1.526572" y3="-0.890368" z3="-1.488305"></atom>
<atom id="a21" elementType="C" x3="-3.492959" y3="-0.468638" z3="-0.739884"></atom>
<atom id="a22" elementType="O" x3="-4.604713" y3="-0.930091" z3="-0.572652"></atom>
<atom id="a23" elementType="O" x3="1.734441" y3="0.302649" z3="-1.619657"></atom>
<atom id="a24" elementType="C" x3="2.023288" y3="0.338251" z3="1.408165"></atom>
<atom id="a25" elementType="C" x3="-0.300059" y3="1.087623" z3="1.616112"></atom>
<atom id="a26" elementType="C" x3="1.448045" y3="2.547024" z3="0.502261"></atom>
<atom id="a27" elementType="C" x3="0.016137" y3="2.327477" z3="0.853492"></atom>
<atom id="a28" elementType="C" x3="2.369252" y3="1.633716" z3="0.758730"></atom>
<atom id="a29" elementType="C" x3="0.624806" y3="0.182484" z3="1.879515"></atom>
<atom id="a30" elementType="O" x3="2.852483" y3="-0.530300" z3="1.538550"></atom>
<atom id="a31" elementType="O" x3="-0.825808" y3="3.130110" z3="0.539400"></atom>
<atom id="a32" elementType="Cl" x3="0.314251" y3="-1.252311" z3="2.764713"></atom>
<atom id="a33" elementType="C" x3="1.740547" y3="3.768395" z3="-0.157894"></atom>
<atom id="a34" elementType="C" x3="3.732362" y3="1.782014" z3="0.394108"></atom>
<atom id="a35" elementType="N" x3="4.830084" y3="1.880340" z3="0.109202"></atom>
<atom id="a36" elementType="N" x3="1.972002" y3="4.750802" z3="-0.684306"></atom>
<atom id="a37" elementType="O" x3="2.469675" y3="-1.809799" z3="-1.765949"></atom>
<atom id="a38" elementType="O" x3="-3.322304" y3="0.856869" z3="-0.940432"></atom>
<atom id="a39" elementType="C" x3="-4.503932" y3="1.716350" z3="-0.844029"></atom>
<atom id="a40" elementType="H" x3="-5.219618" y3="1.414371" z3="-1.592667"></atom>
<atom id="a41" elementType="H" x3="-4.949721" y3="1.576356" z3="0.129244"></atom>
<atom id="a42" elementType="C" x3="-4.010305" y3="3.140429" z3="-1.046510"></atom>
<atom id="a43" elementType="H" x3="-3.623298" y3="3.262551" z3="-2.049856"></atom>
<atom id="a44" elementType="H" x3="-3.216059" y3="3.354924" z3="-0.346271"></atom>
<atom id="a45" elementType="H" x3="-4.823864" y3="3.840969" z3="-0.897617"></atom>
<atom id="a46" elementType="C" x3="3.816169" y3="-1.409026" z3="-2.189045"></atom>
<atom id="a47" elementType="H" x3="3.990637" y3="-1.919867" z3="-3.122343"></atom>
<atom id="a48" elementType="H" x3="3.825696" y3="-0.343312" z3="-2.340806"></atom>
<atom id="a49" elementType="C" x3="4.804884" y3="-1.839540" z3="-1.110187"></atom>
<atom id="a50" elementType="H" x3="4.754617" y3="-2.910597" z3="-0.962014"></atom>
<atom id="a51" elementType="H" x3="4.575827" y3="-1.345705" z3="-0.176471"></atom>
<atom id="a52" elementType="H" x3="5.812673" y3="-1.574533" z3="-1.407253"></atom>
<atom id="a53" elementType="Cl" x3="-1.929451" y3="0.931152" z3="2.105291"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364486085e+03</scalar>
<scalar title="Time">-10.469</scalar>
<scalar title="Reaction Coordinate">-35</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.965604" y3="-0.543169" z3="-1.245188"></atom>
<atom id="a1" elementType="C" x3="-2.223432" y3="-2.425967" z3="-0.155364"></atom>
<atom id="a2" elementType="C" x3="0.178265" y3="-2.639722" z3="-0.433604"></atom>
<atom id="a3" elementType="N" x3="-1.039953" y3="-3.121239" z3="-0.017538"></atom>
<atom id="a4" elementType="C" x3="0.255508" y3="-1.443888" z3="-1.028432"></atom>
<atom id="a5" elementType="C" x3="-2.228668" y3="-1.205272" z3="-0.700193"></atom>
<atom id="a6" elementType="H" x3="-0.810395" y3="0.387850" z3="-0.720967"></atom>
<atom id="a7" elementType="H" x3="-1.067736" y3="-4.011848" z3="0.426088"></atom>
<atom id="a8" elementType="C" x3="-1.131413" y3="-0.201210" z3="-2.745161"></atom>
<atom id="a9" elementType="H" x3="-1.279522" y3="-1.110523" z3="-3.315156"></atom>
<atom id="a10" elementType="H" x3="-0.250090" y3="0.309858" z3="-3.107076"></atom>
<atom id="a11" elementType="H" x3="-1.983446" y3="0.448873" z3="-2.876584"></atom>
<atom id="a12" elementType="C" x3="-3.429830" y3="-3.165453" z3="0.389404"></atom>
<atom id="a13" elementType="H" x3="-4.007317" y3="-2.533585" z3="1.044038"></atom>
<atom id="a14" elementType="H" x3="-3.111265" y3="-4.047177" z3="0.930655"></atom>
<atom id="a15" elementType="H" x3="-4.084393" y3="-3.458862" z3="-0.418528"></atom>
<atom id="a16" elementType="C" x3="1.337050" y3="-3.557219" z3="-0.088671"></atom>
<atom id="a17" elementType="H" x3="1.011423" y3="-4.301581" z3="0.626659"></atom>
<atom id="a18" elementType="H" x3="2.146433" y3="-2.995028" z3="0.345641"></atom>
<atom id="a19" elementType="H" x3="1.706650" y3="-4.048232" z3="-0.975660"></atom>
<atom id="a20" elementType="C" x3="1.528056" y3="-0.889364" z3="-1.488925"></atom>
<atom id="a21" elementType="C" x3="-3.494226" y3="-0.468742" z3="-0.741295"></atom>
<atom id="a22" elementType="O" x3="-4.605299" y3="-0.933525" z3="-0.578905"></atom>
<atom id="a23" elementType="O" x3="1.739005" y3="0.302850" z3="-1.622276"></atom>
<atom id="a24" elementType="C" x3="2.023744" y3="0.336348" z3="1.406789"></atom>
<atom id="a25" elementType="C" x3="-0.300293" y3="1.084217" z3="1.611332"></atom>
<atom id="a26" elementType="C" x3="1.448310" y3="2.544598" z3="0.499694"></atom>
<atom id="a27" elementType="C" x3="0.015906" y3="2.323800" z3="0.848191"></atom>
<atom id="a28" elementType="C" x3="2.369777" y3="1.632010" z3="0.757718"></atom>
<atom id="a29" elementType="C" x3="0.624853" y3="0.179870" z3="1.876362"></atom>
<atom id="a30" elementType="O" x3="2.853398" y3="-0.531619" z3="1.538371"></atom>
<atom id="a31" elementType="O" x3="-0.826339" y3="3.125001" z3="0.531366"></atom>
<atom id="a32" elementType="Cl" x3="0.313842" y3="-1.255018" z3="2.761318"></atom>
<atom id="a33" elementType="C" x3="1.741136" y3="3.766544" z3="-0.159232"></atom>
<atom id="a34" elementType="C" x3="3.733392" y3="1.781415" z3="0.395447"></atom>
<atom id="a35" elementType="N" x3="4.831531" y3="1.880770" z3="0.112539"></atom>
<atom id="a36" elementType="N" x3="1.972958" y3="4.749654" z3="-0.684151"></atom>
<atom id="a37" elementType="O" x3="2.468261" y3="-1.811717" z3="-1.767021"></atom>
<atom id="a38" elementType="O" x3="-3.326223" y3="0.857784" z3="-0.936674"></atom>
<atom id="a39" elementType="C" x3="-4.509501" y3="1.714828" z3="-0.839314"></atom>
<atom id="a40" elementType="H" x3="-5.225337" y3="1.411470" z3="-1.587225"></atom>
<atom id="a41" elementType="H" x3="-4.954024" y3="1.574073" z3="0.134471"></atom>
<atom id="a42" elementType="C" x3="-4.018409" y3="3.139717" z3="-1.042321"></atom>
<atom id="a43" elementType="H" x3="-3.633774" y3="3.262715" z3="-2.046559"></atom>
<atom id="a44" elementType="H" x3="-3.222725" y3="3.354872" z3="-0.343803"></atom>
<atom id="a45" elementType="H" x3="-4.832601" y3="3.839161" z3="-0.891341"></atom>
<atom id="a46" elementType="C" x3="3.815856" y3="-1.415108" z3="-2.190403"></atom>
<atom id="a47" elementType="H" x3="3.990347" y3="-1.930810" z3="-3.121014"></atom>
<atom id="a48" elementType="H" x3="3.827173" y3="-0.350145" z3="-2.347309"></atom>
<atom id="a49" elementType="C" x3="4.803101" y3="-1.841867" z3="-1.108623"></atom>
<atom id="a50" elementType="H" x3="4.751374" y3="-2.912166" z3="-0.955493"></atom>
<atom id="a51" elementType="H" x3="4.574112" y3="-1.343482" z3="-0.177334"></atom>
<atom id="a52" elementType="H" x3="5.811473" y3="-1.579580" z3="-1.406155"></atom>
<atom id="a53" elementType="Cl" x3="-1.930211" y3="0.926514" z3="2.098189"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364485634e+03</scalar>
<scalar title="Time">-10.1693</scalar>
<scalar title="Reaction Coordinate">-34</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.964207" y3="-0.537012" z3="-1.238705"></atom>
<atom id="a1" elementType="C" x3="-2.221921" y3="-2.422196" z3="-0.151885"></atom>
<atom id="a2" elementType="C" x3="0.179928" y3="-2.634174" z3="-0.427864"></atom>
<atom id="a3" elementType="N" x3="-1.037598" y3="-3.114970" z3="-0.009724"></atom>
<atom id="a4" elementType="C" x3="0.256588" y3="-1.439634" z3="-1.025738"></atom>
<atom id="a5" elementType="C" x3="-2.228142" y3="-1.202518" z3="-0.699011"></atom>
<atom id="a6" elementType="H" x3="-0.809519" y3="0.389842" z3="-0.707150"></atom>
<atom id="a7" elementType="H" x3="-1.064678" y3="-4.004289" z3="0.436619"></atom>
<atom id="a8" elementType="C" x3="-1.127786" y3="-0.181581" z3="-2.735822"></atom>
<atom id="a9" elementType="H" x3="-1.275403" y3="-1.085482" z3="-3.314460"></atom>
<atom id="a10" elementType="H" x3="-0.245845" y3="0.332409" z3="-3.091593"></atom>
<atom id="a11" elementType="H" x3="-1.979280" y3="0.469870" z3="-2.862281"></atom>
<atom id="a12" elementType="C" x3="-3.428049" y3="-3.163064" z3="0.391743"></atom>
<atom id="a13" elementType="H" x3="-4.007300" y3="-2.531578" z3="1.045247"></atom>
<atom id="a14" elementType="H" x3="-3.108858" y3="-4.043839" z3="0.934164"></atom>
<atom id="a15" elementType="H" x3="-4.081132" y3="-3.458087" z3="-0.416723"></atom>
<atom id="a16" elementType="C" x3="1.338831" y3="-3.550956" z3="-0.081183"></atom>
<atom id="a17" elementType="H" x3="1.013576" y3="-4.292566" z3="0.637218"></atom>
<atom id="a18" elementType="H" x3="2.148936" y3="-2.987690" z3="0.350392"></atom>
<atom id="a19" elementType="H" x3="1.707128" y3="-4.045385" z3="-0.966850"></atom>
<atom id="a20" elementType="C" x3="1.529489" y3="-0.888462" z3="-1.489581"></atom>
<atom id="a21" elementType="C" x3="-3.495527" y3="-0.468944" z3="-0.742569"></atom>
<atom id="a22" elementType="O" x3="-4.605863" y3="-0.936965" z3="-0.584798"></atom>
<atom id="a23" elementType="O" x3="1.743484" y3="0.302975" z3="-1.624992"></atom>
<atom id="a24" elementType="C" x3="2.024158" y3="0.334446" z3="1.405314"></atom>
<atom id="a25" elementType="C" x3="-0.300581" y3="1.080861" z3="1.606505"></atom>
<atom id="a26" elementType="C" x3="1.448509" y3="2.542158" z3="0.497039"></atom>
<atom id="a27" elementType="C" x3="0.015654" y3="2.320147" z3="0.842891"></atom>
<atom id="a28" elementType="C" x3="2.370240" y3="1.630250" z3="0.756558"></atom>
<atom id="a29" elementType="C" x3="0.624856" y3="0.177189" z3="1.873045"></atom>
<atom id="a30" elementType="O" x3="2.854290" y3="-0.532939" z3="1.538166"></atom>
<atom id="a31" elementType="O" x3="-0.826882" y3="3.119982" z3="0.523381"></atom>
<atom id="a32" elementType="Cl" x3="0.313374" y3="-1.257720" z3="2.757815"></atom>
<atom id="a33" elementType="C" x3="1.741696" y3="3.764730" z3="-0.160550"></atom>
<atom id="a34" elementType="C" x3="3.734352" y3="1.780794" z3="0.396636"></atom>
<atom id="a35" elementType="N" x3="4.832911" y3="1.881200" z3="0.115745"></atom>
<atom id="a36" elementType="N" x3="1.973914" y3="4.748630" z3="-0.683818"></atom>
<atom id="a37" elementType="O" x3="2.466877" y3="-1.813645" z3="-1.767967"></atom>
<atom id="a38" elementType="O" x3="-3.330119" y3="0.858565" z3="-0.932894"></atom>
<atom id="a39" elementType="C" x3="-4.514884" y3="1.713364" z3="-0.834658"></atom>
<atom id="a40" elementType="H" x3="-5.230903" y3="1.408654" z3="-1.581802"></atom>
<atom id="a41" elementType="H" x3="-4.958138" y3="1.572063" z3="0.139656"></atom>
<atom id="a42" elementType="C" x3="-4.026022" y3="3.138938" z3="-1.038394"></atom>
<atom id="a43" elementType="H" x3="-3.643661" y3="3.262531" z3="-2.043330"></atom>
<atom id="a44" elementType="H" x3="-3.229074" y3="3.354727" z3="-0.341652"></atom>
<atom id="a45" elementType="H" x3="-4.840562" y3="3.837428" z3="-0.885568"></atom>
<atom id="a46" elementType="C" x3="3.815554" y3="-1.421095" z3="-2.191582"></atom>
<atom id="a47" elementType="H" x3="3.990114" y3="-1.941571" z3="-3.119501"></atom>
<atom id="a48" elementType="H" x3="3.828611" y3="-0.356894" z3="-2.353567"></atom>
<atom id="a49" elementType="C" x3="4.801357" y3="-1.844061" z3="-1.106909"></atom>
<atom id="a50" elementType="H" x3="4.748289" y3="-2.913579" z3="-0.948923"></atom>
<atom id="a51" elementType="H" x3="4.572371" y3="-1.341242" z3="-0.178039"></atom>
<atom id="a52" elementType="H" x3="5.810278" y3="-1.584364" z3="-1.404832"></atom>
<atom id="a53" elementType="Cl" x3="-1.931006" y3="0.921890" z3="2.091082"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364485162e+03</scalar>
<scalar title="Time">-9.86975</scalar>
<scalar title="Reaction Coordinate">-33</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.962882" y3="-0.530880" z3="-1.232226"></atom>
<atom id="a1" elementType="C" x3="-2.220446" y3="-2.418577" z3="-0.148457"></atom>
<atom id="a2" elementType="C" x3="0.181559" y3="-2.628753" z3="-0.422219"></atom>
<atom id="a3" elementType="N" x3="-1.035270" y3="-3.108809" z3="-0.002002"></atom>
<atom id="a4" elementType="C" x3="0.257611" y3="-1.435491" z3="-1.023143"></atom>
<atom id="a5" elementType="C" x3="-2.227674" y3="-1.199910" z3="-0.697897"></atom>
<atom id="a6" elementType="H" x3="-0.808671" y3="0.391500" z3="-0.693074"></atom>
<atom id="a7" elementType="H" x3="-1.061619" y3="-3.996708" z3="0.447114"></atom>
<atom id="a8" elementType="C" x3="-1.124122" y3="-0.161396" z3="-2.726017"></atom>
<atom id="a9" elementType="H" x3="-1.271254" y3="-1.059576" z3="-3.313725"></atom>
<atom id="a10" elementType="H" x3="-0.241432" y3="0.355392" z3="-3.075269"></atom>
<atom id="a11" elementType="H" x3="-1.975070" y3="0.491511" z3="-2.847250"></atom>
<atom id="a12" elementType="C" x3="-3.426268" y3="-3.160801" z3="0.394157"></atom>
<atom id="a13" elementType="H" x3="-4.007039" y3="-2.529747" z3="1.046811"></atom>
<atom id="a14" elementType="H" x3="-3.106449" y3="-4.040795" z3="0.937490"></atom>
<atom id="a15" elementType="H" x3="-4.078114" y3="-3.457175" z3="-0.414759"></atom>
<atom id="a16" elementType="C" x3="1.340601" y3="-3.544785" z3="-0.073777"></atom>
<atom id="a17" elementType="H" x3="1.015674" y3="-4.283667" z3="0.647550"></atom>
<atom id="a18" elementType="H" x3="2.151254" y3="-2.980458" z3="0.355191"></atom>
<atom id="a19" elementType="H" x3="1.707721" y3="-4.042467" z3="-0.958028"></atom>
<atom id="a20" elementType="C" x3="1.530866" y3="-0.887622" z3="-1.490272"></atom>
<atom id="a21" elementType="C" x3="-3.496845" y3="-0.469235" z3="-0.743716"></atom>
<atom id="a22" elementType="O" x3="-4.606456" y3="-0.940393" z3="-0.590286"></atom>
<atom id="a23" elementType="O" x3="1.747867" y3="0.303009" z3="-1.627776"></atom>
<atom id="a24" elementType="C" x3="2.024510" y3="0.332519" z3="1.403711"></atom>
<atom id="a25" elementType="C" x3="-0.300886" y3="1.077512" z3="1.601662"></atom>
<atom id="a26" elementType="C" x3="1.448667" y3="2.539701" z3="0.494263"></atom>
<atom id="a27" elementType="C" x3="0.015370" y3="2.316530" z3="0.837553"></atom>
<atom id="a28" elementType="C" x3="2.370631" y3="1.628454" z3="0.755209"></atom>
<atom id="a29" elementType="C" x3="0.624798" y3="0.174569" z3="1.869698"></atom>
<atom id="a30" elementType="O" x3="2.855164" y3="-0.534216" z3="1.537953"></atom>
<atom id="a31" elementType="O" x3="-0.827419" y3="3.115043" z3="0.515485"></atom>
<atom id="a32" elementType="Cl" x3="0.312843" y3="-1.260429" z3="2.754223"></atom>
<atom id="a33" elementType="C" x3="1.742224" y3="3.762966" z3="-0.161860"></atom>
<atom id="a34" elementType="C" x3="3.735237" y3="1.780142" z3="0.397656"></atom>
<atom id="a35" elementType="N" x3="4.834229" y3="1.881644" z3="0.118831"></atom>
<atom id="a36" elementType="N" x3="1.974868" y3="4.747735" z3="-0.683311"></atom>
<atom id="a37" elementType="O" x3="2.465542" y3="-1.815589" z3="-1.768779"></atom>
<atom id="a38" elementType="O" x3="-3.333969" y3="0.859187" z3="-0.929127"></atom>
<atom id="a39" elementType="C" x3="-4.520046" y3="1.711958" z3="-0.830111"></atom>
<atom id="a40" elementType="H" x3="-5.236324" y3="1.405975" z3="-1.576466"></atom>
<atom id="a41" elementType="H" x3="-4.962083" y3="1.570338" z3="0.144757"></atom>
<atom id="a42" elementType="C" x3="-4.033084" y3="3.138078" z3="-1.034738"></atom>
<atom id="a43" elementType="H" x3="-3.652824" y3="3.262014" z3="-2.040566"></atom>
<atom id="a44" elementType="H" x3="-3.234711" y3="3.354435" z3="-0.339601"></atom>
<atom id="a45" elementType="H" x3="-4.848038" y3="3.835888" z3="-0.880210"></atom>
<atom id="a46" elementType="C" x3="3.815269" y3="-1.426953" z3="-2.192571"></atom>
<atom id="a47" elementType="H" x3="3.989936" y3="-1.952106" z3="-3.117804"></atom>
<atom id="a48" elementType="H" x3="3.829969" y3="-0.363549" z3="-2.359562"></atom>
<atom id="a49" elementType="C" x3="4.799670" y3="-1.846104" z3="-1.105062"></atom>
<atom id="a50" elementType="H" x3="4.745395" y3="-2.914861" z3="-0.942337"></atom>
<atom id="a51" elementType="H" x3="4.570618" y3="-1.338989" z3="-0.178572"></atom>
<atom id="a52" elementType="H" x3="5.809119" y3="-1.588831" z3="-1.403344"></atom>
<atom id="a53" elementType="Cl" x3="-1.931805" y3="0.917284" z3="2.083963"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364484668e+03</scalar>
<scalar title="Time">-9.57021</scalar>
<scalar title="Reaction Coordinate">-32</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.961632" y3="-0.524907" z3="-1.225581"></atom>
<atom id="a1" elementType="C" x3="-2.219004" y3="-2.415103" z3="-0.145056"></atom>
<atom id="a2" elementType="C" x3="0.183167" y3="-2.623415" z3="-0.416654"></atom>
<atom id="a3" elementType="N" x3="-1.032972" y3="-3.102742" z3="0.005650"></atom>
<atom id="a4" elementType="C" x3="0.258589" y3="-1.431460" z3="-1.020620"></atom>
<atom id="a5" elementType="C" x3="-2.227268" y3="-1.197468" z3="-0.696834"></atom>
<atom id="a6" elementType="H" x3="-0.808000" y3="0.392750" z3="-0.678493"></atom>
<atom id="a7" elementType="H" x3="-1.058583" y3="-3.989330" z3="0.457451"></atom>
<atom id="a8" elementType="C" x3="-1.120434" y3="-0.140677" z3="-2.715962"></atom>
<atom id="a9" elementType="H" x3="-1.266992" y3="-1.032706" z3="-3.313085"></atom>
<atom id="a10" elementType="H" x3="-0.237010" y3="0.379295" z3="-3.058373"></atom>
<atom id="a11" elementType="H" x3="-1.970910" y3="0.513638" z3="-2.831703"></atom>
<atom id="a12" elementType="C" x3="-3.424478" y3="-3.158652" z3="0.396645"></atom>
<atom id="a13" elementType="H" x3="-4.006472" y3="-2.528120" z3="1.048776"></atom>
<atom id="a14" elementType="H" x3="-3.104017" y3="-4.038035" z3="0.940560"></atom>
<atom id="a15" elementType="H" x3="-4.075350" y3="-3.456051" z3="-0.412586"></atom>
<atom id="a16" elementType="C" x3="1.342351" y3="-3.538682" z3="-0.066414"></atom>
<atom id="a17" elementType="H" x3="1.017728" y3="-4.274912" z3="0.657775"></atom>
<atom id="a18" elementType="H" x3="2.153556" y3="-2.973267" z3="0.360037"></atom>
<atom id="a19" elementType="H" x3="1.708391" y3="-4.039594" z3="-0.949299"></atom>
<atom id="a20" elementType="C" x3="1.532182" y3="-0.886866" z3="-1.490988"></atom>
<atom id="a21" elementType="C" x3="-3.498202" y3="-0.469632" z3="-0.744737"></atom>
<atom id="a22" elementType="O" x3="-4.607036" y3="-0.943801" z3="-0.595400"></atom>
<atom id="a23" elementType="O" x3="1.752120" y3="0.302966" z3="-1.630648"></atom>
<atom id="a24" elementType="C" x3="2.024834" y3="0.330582" z3="1.402046"></atom>
<atom id="a25" elementType="C" x3="-0.301213" y3="1.074192" z3="1.596731"></atom>
<atom id="a26" elementType="C" x3="1.448770" y3="2.537229" z3="0.491358"></atom>
<atom id="a27" elementType="C" x3="0.015068" y3="2.312962" z3="0.832191"></atom>
<atom id="a28" elementType="C" x3="2.370957" y3="1.626604" z3="0.753689"></atom>
<atom id="a29" elementType="C" x3="0.624738" y3="0.171902" z3="1.866234"></atom>
<atom id="a30" elementType="O" x3="2.856004" y3="-0.535485" z3="1.537719"></atom>
<atom id="a31" elementType="O" x3="-0.827959" y3="3.110206" z3="0.507656"></atom>
<atom id="a32" elementType="Cl" x3="0.312252" y3="-1.263123" z3="2.750555"></atom>
<atom id="a33" elementType="C" x3="1.742724" y3="3.761244" z3="-0.163166"></atom>
<atom id="a34" elementType="C" x3="3.736055" y3="1.779459" z3="0.398518"></atom>
<atom id="a35" elementType="N" x3="4.835466" y3="1.882104" z3="0.121821"></atom>
<atom id="a36" elementType="N" x3="1.975821" y3="4.746953" z3="-0.682608"></atom>
<atom id="a37" elementType="O" x3="2.464245" y3="-1.817531" z3="-1.769469"></atom>
<atom id="a38" elementType="O" x3="-3.337776" y3="0.859666" z3="-0.925373"></atom>
<atom id="a39" elementType="C" x3="-4.524988" y3="1.710631" z3="-0.825672"></atom>
<atom id="a40" elementType="H" x3="-5.241538" y3="1.403442" z3="-1.571235"></atom>
<atom id="a41" elementType="H" x3="-4.965839" y3="1.568867" z3="0.149735"></atom>
<atom id="a42" elementType="C" x3="-4.039597" y3="3.137165" z3="-1.031335"></atom>
<atom id="a43" elementType="H" x3="-3.661482" y3="3.261289" z3="-2.037848"></atom>
<atom id="a44" elementType="H" x3="-3.239944" y3="3.353951" z3="-0.337969"></atom>
<atom id="a45" elementType="H" x3="-4.854531" y3="3.834470" z3="-0.875214"></atom>
<atom id="a46" elementType="C" x3="3.814999" y3="-1.432647" z3="-2.193375"></atom>
<atom id="a47" elementType="H" x3="3.989816" y3="-1.962332" z3="-3.115981"></atom>
<atom id="a48" elementType="H" x3="3.831254" y3="-0.370028" z3="-2.365237"></atom>
<atom id="a49" elementType="C" x3="4.798036" y3="-1.848006" z3="-1.103096"></atom>
<atom id="a50" elementType="H" x3="4.742706" y3="-2.916003" z3="-0.935802"></atom>
<atom id="a51" elementType="H" x3="4.568840" y3="-1.336783" z3="-0.178932"></atom>
<atom id="a52" elementType="H" x3="5.807964" y3="-1.592963" z3="-1.401675"></atom>
<atom id="a53" elementType="Cl" x3="-1.932613" y3="0.912695" z3="2.076833"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364484148e+03</scalar>
<scalar title="Time">-9.27049</scalar>
<scalar title="Reaction Coordinate">-31</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.960406" y3="-0.518964" z3="-1.218937"></atom>
<atom id="a1" elementType="C" x3="-2.217595" y3="-2.411750" z3="-0.141705"></atom>
<atom id="a2" elementType="C" x3="0.184734" y3="-2.618216" z3="-0.411184"></atom>
<atom id="a3" elementType="N" x3="-1.030697" y3="-3.096796" z3="0.013222"></atom>
<atom id="a4" elementType="C" x3="0.259504" y3="-1.427532" z3="-1.018201"></atom>
<atom id="a5" elementType="C" x3="-2.226918" y3="-1.195148" z3="-0.695821"></atom>
<atom id="a6" elementType="H" x3="-0.807278" y3="0.393648" z3="-0.663734"></atom>
<atom id="a7" elementType="H" x3="-1.055576" y3="-3.981950" z3="0.467708"></atom>
<atom id="a8" elementType="C" x3="-1.116731" y3="-0.119494" z3="-2.705444"></atom>
<atom id="a9" elementType="H" x3="-1.262730" y3="-1.005082" z3="-3.312283"></atom>
<atom id="a10" elementType="H" x3="-0.232623" y3="0.403377" z3="-3.040710"></atom>
<atom id="a11" elementType="H" x3="-1.966674" y3="0.536298" z3="-2.815403"></atom>
<atom id="a12" elementType="C" x3="-3.422690" y3="-3.156615" z3="0.399213"></atom>
<atom id="a13" elementType="H" x3="-4.005664" y3="-2.526663" z3="1.051108"></atom>
<atom id="a14" elementType="H" x3="-3.101578" y3="-4.035554" z3="0.943449"></atom>
<atom id="a15" elementType="H" x3="-4.072835" y3="-3.454777" z3="-0.410238"></atom>
<atom id="a16" elementType="C" x3="1.344092" y3="-3.532661" z3="-0.059102"></atom>
<atom id="a17" elementType="H" x3="1.019759" y3="-4.266341" z3="0.667768"></atom>
<atom id="a18" elementType="H" x3="2.155694" y3="-2.966214" z3="0.365005"></atom>
<atom id="a19" elementType="H" x3="1.709203" y3="-4.036582" z3="-0.940549"></atom>
<atom id="a20" elementType="C" x3="1.533426" y3="-0.886191" z3="-1.491746"></atom>
<atom id="a21" elementType="C" x3="-3.499577" y3="-0.470109" z3="-0.745634"></atom>
<atom id="a22" elementType="O" x3="-4.607646" y3="-0.947192" z3="-0.600123"></atom>
<atom id="a23" elementType="O" x3="1.756259" y3="0.302836" z3="-1.633595"></atom>
<atom id="a24" elementType="C" x3="2.025097" y3="0.328613" z3="1.400248"></atom>
<atom id="a25" elementType="C" x3="-0.301563" y3="1.070871" z3="1.591772"></atom>
<atom id="a26" elementType="C" x3="1.448811" y3="2.534712" z3="0.488303"></atom>
<atom id="a27" elementType="C" x3="0.014727" y3="2.309393" z3="0.826785"></atom>
<atom id="a28" elementType="C" x3="2.371209" y3="1.624687" z3="0.751958"></atom>
<atom id="a29" elementType="C" x3="0.624632" y3="0.169247" z3="1.862692"></atom>
<atom id="a30" elementType="O" x3="2.856838" y3="-0.536720" z3="1.537501"></atom>
<atom id="a31" elementType="O" x3="-0.828510" y3="3.105485" z3="0.499939"></atom>
<atom id="a32" elementType="Cl" x3="0.311596" y3="-1.265808" z3="2.746805"></atom>
<atom id="a33" elementType="C" x3="1.743190" y3="3.759544" z3="-0.164482"></atom>
<atom id="a34" elementType="C" x3="3.736796" y3="1.778743" z3="0.399215"></atom>
<atom id="a35" elementType="N" x3="4.836657" y3="1.882593" z3="0.124730"></atom>
<atom id="a36" elementType="N" x3="1.976779" y3="4.746313" z3="-0.681712"></atom>
<atom id="a37" elementType="O" x3="2.463003" y3="-1.819476" z3="-1.770033"></atom>
<atom id="a38" elementType="O" x3="-3.341530" y3="0.859991" z3="-0.921653"></atom>
<atom id="a39" elementType="C" x3="-4.529706" y3="1.709373" z3="-0.821373"></atom>
<atom id="a40" elementType="H" x3="-5.246572" y3="1.401076" z3="-1.566154"></atom>
<atom id="a41" elementType="H" x3="-4.969450" y3="1.567662" z3="0.154578"></atom>
<atom id="a42" elementType="C" x3="-4.045540" y3="3.136200" z3="-1.028173"></atom>
<atom id="a43" elementType="H" x3="-3.669425" y3="3.260279" z3="-2.035475"></atom>
<atom id="a44" elementType="H" x3="-3.244503" y3="3.353309" z3="-0.336463"></atom>
<atom id="a45" elementType="H" x3="-4.860451" y3="3.833229" z3="-0.870567"></atom>
<atom id="a46" elementType="C" x3="3.814741" y3="-1.438151" z3="-2.193998"></atom>
<atom id="a47" elementType="H" x3="3.989759" y3="-1.972203" z3="-3.114030"></atom>
<atom id="a48" elementType="H" x3="3.832444" y3="-0.376326" z3="-2.370579"></atom>
<atom id="a49" elementType="C" x3="4.796462" y3="-1.849753" z3="-1.101030"></atom>
<atom id="a50" elementType="H" x3="4.740222" y3="-2.917008" z3="-0.929350"></atom>
<atom id="a51" elementType="H" x3="4.567052" y3="-1.334615" z3="-0.179130"></atom>
<atom id="a52" elementType="H" x3="5.806840" y3="-1.596752" z3="-1.399840"></atom>
<atom id="a53" elementType="Cl" x3="-1.933430" y3="0.908128" z3="2.069702"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364483603e+03</scalar>
<scalar title="Time">-8.97073</scalar>
<scalar title="Reaction Coordinate">-30</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.959283" y3="-0.513216" z3="-1.212203"></atom>
<atom id="a1" elementType="C" x3="-2.216229" y3="-2.408567" z3="-0.138384"></atom>
<atom id="a2" elementType="C" x3="0.186266" y3="-2.613155" z3="-0.405804"></atom>
<atom id="a3" elementType="N" x3="-1.028469" y3="-3.090974" z3="0.020687"></atom>
<atom id="a4" elementType="C" x3="0.260362" y3="-1.423774" z3="-1.015885"></atom>
<atom id="a5" elementType="C" x3="-2.226631" y3="-1.193005" z3="-0.694856"></atom>
<atom id="a6" elementType="H" x3="-0.806697" y3="0.394174" z3="-0.648695"></atom>
<atom id="a7" elementType="H" x3="-1.052575" y3="-3.974797" z3="0.477949"></atom>
<atom id="a8" elementType="C" x3="-1.112985" y3="-0.097802" z3="-2.694571"></atom>
<atom id="a9" elementType="H" x3="-1.258605" y3="-0.976431" z3="-3.311612"></atom>
<atom id="a10" elementType="H" x3="-0.227936" y3="0.427997" z3="-3.022466"></atom>
<atom id="a11" elementType="H" x3="-1.962170" y3="0.559556" z3="-2.798373"></atom>
<atom id="a12" elementType="C" x3="-3.420909" y3="-3.154700" z3="0.401859"></atom>
<atom id="a13" elementType="H" x3="-4.004611" y3="-2.525363" z3="1.053794"></atom>
<atom id="a14" elementType="H" x3="-3.099140" y3="-4.033354" z3="0.946167"></atom>
<atom id="a15" elementType="H" x3="-4.070568" y3="-3.453363" z3="-0.407712"></atom>
<atom id="a16" elementType="C" x3="1.345814" y3="-3.526737" z3="-0.051838"></atom>
<atom id="a17" elementType="H" x3="1.021698" y3="-4.257986" z3="0.677604"></atom>
<atom id="a18" elementType="H" x3="2.157748" y3="-2.959149" z3="0.370137"></atom>
<atom id="a19" elementType="H" x3="1.710237" y3="-4.033582" z3="-0.931934"></atom>
<atom id="a20" elementType="C" x3="1.534597" y3="-0.885598" z3="-1.492532"></atom>
<atom id="a21" elementType="C" x3="-3.500978" y3="-0.470682" z3="-0.746414"></atom>
<atom id="a22" elementType="O" x3="-4.608272" y3="-0.950553" z3="-0.604455"></atom>
<atom id="a23" elementType="O" x3="1.760236" y3="0.302618" z3="-1.636608"></atom>
<atom id="a24" elementType="C" x3="2.025314" y3="0.326633" z3="1.398352"></atom>
<atom id="a25" elementType="C" x3="-0.301940" y3="1.067589" z3="1.586752"></atom>
<atom id="a26" elementType="C" x3="1.448800" y3="2.532156" z3="0.485075"></atom>
<atom id="a27" elementType="C" x3="0.014360" y3="2.305900" z3="0.821357"></atom>
<atom id="a28" elementType="C" x3="2.371383" y3="1.622703" z3="0.750003"></atom>
<atom id="a29" elementType="C" x3="0.624494" y3="0.166602" z3="1.859067"></atom>
<atom id="a30" elementType="O" x3="2.857662" y3="-0.537928" z3="1.537300"></atom>
<atom id="a31" elementType="O" x3="-0.829057" y3="3.100876" z3="0.492354"></atom>
<atom id="a32" elementType="Cl" x3="0.310877" y3="-1.268470" z3="2.742992"></atom>
<atom id="a33" elementType="C" x3="1.743622" y3="3.757876" z3="-0.165819"></atom>
<atom id="a34" elementType="C" x3="3.737466" y3="1.777987" z3="0.399732"></atom>
<atom id="a35" elementType="N" x3="4.837783" y3="1.883118" z3="0.127580"></atom>
<atom id="a36" elementType="N" x3="1.977735" y3="4.745794" z3="-0.680609"></atom>
<atom id="a37" elementType="O" x3="2.461815" y3="-1.821408" z3="-1.770480"></atom>
<atom id="a38" elementType="O" x3="-3.345212" y3="0.860164" z3="-0.917985"></atom>
<atom id="a39" elementType="C" x3="-4.534177" y3="1.708196" z3="-0.817230"></atom>
<atom id="a40" elementType="H" x3="-5.251381" y3="1.398894" z3="-1.561248"></atom>
<atom id="a41" elementType="H" x3="-4.972886" y3="1.566700" z3="0.159250"></atom>
<atom id="a42" elementType="C" x3="-4.050901" y3="3.135194" z3="-1.025246"></atom>
<atom id="a43" elementType="H" x3="-3.676705" y3="3.259076" z3="-2.033284"></atom>
<atom id="a44" elementType="H" x3="-3.248525" y3="3.352495" z3="-0.335177"></atom>
<atom id="a45" elementType="H" x3="-4.865592" y3="3.832146" z3="-0.866276"></atom>
<atom id="a46" elementType="C" x3="3.814500" y3="-1.443428" z3="-2.194446"></atom>
<atom id="a47" elementType="H" x3="3.989752" y3="-1.981658" z3="-3.111976"></atom>
<atom id="a48" elementType="H" x3="3.833530" y3="-0.382393" z3="-2.375556"></atom>
<atom id="a49" elementType="C" x3="4.794950" y3="-1.851344" z3="-1.098883"></atom>
<atom id="a50" elementType="H" x3="4.737959" y3="-2.917887" z3="-0.923044"></atom>
<atom id="a51" elementType="H" x3="4.565242" y3="-1.332524" z3="-0.179159"></atom>
<atom id="a52" elementType="H" x3="5.805738" y3="-1.600168" z3="-1.397865"></atom>
<atom id="a53" elementType="Cl" x3="-1.934249" y3="0.903590" z3="2.062577"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364483029e+03</scalar>
<scalar title="Time">-8.67097</scalar>
<scalar title="Reaction Coordinate">-29</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.958173" y3="-0.507574" z3="-1.205415"></atom>
<atom id="a1" elementType="C" x3="-2.214907" y3="-2.405526" z3="-0.135128"></atom>
<atom id="a2" elementType="C" x3="0.187764" y3="-2.608235" z3="-0.400527"></atom>
<atom id="a3" elementType="N" x3="-1.026273" y3="-3.085293" z3="0.028083"></atom>
<atom id="a4" elementType="C" x3="0.261154" y3="-1.420145" z3="-1.013658"></atom>
<atom id="a5" elementType="C" x3="-2.226404" y3="-1.191017" z3="-0.693962"></atom>
<atom id="a6" elementType="H" x3="-0.805969" y3="0.394225" z3="-0.633291"></atom>
<atom id="a7" elementType="H" x3="-1.049652" y3="-3.967694" z3="0.487922"></atom>
<atom id="a8" elementType="C" x3="-1.109216" y3="-0.075709" z3="-2.683302"></atom>
<atom id="a9" elementType="H" x3="-1.254374" y3="-0.947013" z3="-3.310700"></atom>
<atom id="a10" elementType="H" x3="-0.223314" y3="0.452979" z3="-3.003385"></atom>
<atom id="a11" elementType="H" x3="-1.957758" y3="0.583317" z3="-2.780870"></atom>
<atom id="a12" elementType="C" x3="-3.419140" y3="-3.152904" z3="0.404590"></atom>
<atom id="a13" elementType="H" x3="-4.003331" y3="-2.524222" z3="1.056819"></atom>
<atom id="a14" elementType="H" x3="-3.096691" y3="-4.031398" z3="0.948732"></atom>
<atom id="a15" elementType="H" x3="-4.068547" y3="-3.451834" z3="-0.404992"></atom>
<atom id="a16" elementType="C" x3="1.347528" y3="-3.520899" z3="-0.044615"></atom>
<atom id="a17" elementType="H" x3="1.023651" y3="-4.249855" z3="0.687184"></atom>
<atom id="a18" elementType="H" x3="2.159640" y3="-2.952248" z3="0.375401"></atom>
<atom id="a19" elementType="H" x3="1.711402" y3="-4.030436" z3="-0.923271"></atom>
<atom id="a20" elementType="C" x3="1.535684" y3="-0.885101" z3="-1.493342"></atom>
<atom id="a21" elementType="C" x3="-3.502402" y3="-0.471350" z3="-0.747088"></atom>
<atom id="a22" elementType="O" x3="-4.608919" y3="-0.953869" z3="-0.608400"></atom>
<atom id="a23" elementType="O" x3="1.764051" y3="0.302320" z3="-1.639685"></atom>
<atom id="a24" elementType="C" x3="2.025506" y3="0.324598" z3="1.396329"></atom>
<atom id="a25" elementType="C" x3="-0.302338" y3="1.064315" z3="1.581664"></atom>
<atom id="a26" elementType="C" x3="1.448718" y3="2.529548" z3="0.481662"></atom>
<atom id="a27" elementType="C" x3="0.013956" y3="2.302399" z3="0.815874"></atom>
<atom id="a28" elementType="C" x3="2.371483" y3="1.620639" z3="0.747813"></atom>
<atom id="a29" elementType="C" x3="0.624317" y3="0.163923" z3="1.855330"></atom>
<atom id="a30" elementType="O" x3="2.858481" y3="-0.539077" z3="1.537137"></atom>
<atom id="a31" elementType="O" x3="-0.829610" y3="3.096408" z3="0.484918"></atom>
<atom id="a32" elementType="Cl" x3="0.310094" y3="-1.271105" z3="2.739131"></atom>
<atom id="a33" elementType="C" x3="1.744018" y3="3.756233" z3="-0.167186"></atom>
<atom id="a34" elementType="C" x3="3.738063" y3="1.777197" z3="0.400081"></atom>
<atom id="a35" elementType="N" x3="4.838848" y3="1.883680" z3="0.130386"></atom>
<atom id="a36" elementType="N" x3="1.978692" y3="4.745401" z3="-0.679299"></atom>
<atom id="a37" elementType="O" x3="2.460676" y3="-1.823316" z3="-1.770812"></atom>
<atom id="a38" elementType="O" x3="-3.348818" y3="0.860200" z3="-0.914384"></atom>
<atom id="a39" elementType="C" x3="-4.538399" y3="1.707105" z3="-0.813255"></atom>
<atom id="a40" elementType="H" x3="-5.255957" y3="1.396909" z3="-1.556542"></atom>
<atom id="a41" elementType="H" x3="-4.976161" y3="1.565974" z3="0.163732"></atom>
<atom id="a42" elementType="C" x3="-4.055689" y3="3.134162" z3="-1.022542"></atom>
<atom id="a43" elementType="H" x3="-3.683313" y3="3.257703" z3="-2.031299"></atom>
<atom id="a44" elementType="H" x3="-3.251966" y3="3.351521" z3="-0.334074"></atom>
<atom id="a45" elementType="H" x3="-4.870013" y3="3.831227" z3="-0.862301"></atom>
<atom id="a46" elementType="C" x3="3.814261" y3="-1.448458" z3="-2.194725"></atom>
<atom id="a47" elementType="H" x3="3.989802" y3="-1.990639" z3="-3.109855"></atom>
<atom id="a48" elementType="H" x3="3.834512" y3="-0.388190" z3="-2.380148"></atom>
<atom id="a49" elementType="C" x3="4.793496" y3="-1.852782" z3="-1.096675"></atom>
<atom id="a50" elementType="H" x3="4.735912" y3="-2.918638" z3="-0.916912"></atom>
<atom id="a51" elementType="H" x3="4.563414" y3="-1.330523" z3="-0.179023"></atom>
<atom id="a52" elementType="H" x3="5.804658" y3="-1.603212" z3="-1.395753"></atom>
<atom id="a53" elementType="Cl" x3="-1.935072" y3="0.899086" z3="2.055473"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364482425e+03</scalar>
<scalar title="Time">-8.37123</scalar>
<scalar title="Reaction Coordinate">-28</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.957208" y3="-0.502104" z3="-1.198621"></atom>
<atom id="a1" elementType="C" x3="-2.213628" y3="-2.402669" z3="-0.131897"></atom>
<atom id="a2" elementType="C" x3="0.189212" y3="-2.603473" z3="-0.395323"></atom>
<atom id="a3" elementType="N" x3="-1.024133" y3="-3.079773" z3="0.035322"></atom>
<atom id="a4" elementType="C" x3="0.261891" y3="-1.416674" z3="-1.011513"></atom>
<atom id="a5" elementType="C" x3="-2.226241" y3="-1.189208" z3="-0.693139"></atom>
<atom id="a6" elementType="H" x3="-0.805625" y3="0.393885" z3="-0.617774"></atom>
<atom id="a7" elementType="H" x3="-1.046682" y3="-3.960713" z3="0.498197"></atom>
<atom id="a8" elementType="C" x3="-1.105395" y3="-0.053202" z3="-2.671593"></atom>
<atom id="a9" elementType="H" x3="-1.250286" y3="-0.916763" z3="-3.309839"></atom>
<atom id="a10" elementType="H" x3="-0.218459" y3="0.478242" z3="-2.983783"></atom>
<atom id="a11" elementType="H" x3="-1.953024" y3="0.607435" z3="-2.762397"></atom>
<atom id="a12" elementType="C" x3="-3.417384" y3="-3.151227" z3="0.407401"></atom>
<atom id="a13" elementType="H" x3="-4.001839" y3="-2.523225" z3="1.060151"></atom>
<atom id="a14" elementType="H" x3="-3.094280" y3="-4.029706" z3="0.951171"></atom>
<atom id="a15" elementType="H" x3="-4.066749" y3="-3.450211" z3="-0.402097"></atom>
<atom id="a16" elementType="C" x3="1.349242" y3="-3.515169" z3="-0.037442"></atom>
<atom id="a17" elementType="H" x3="1.025456" y3="-4.241983" z3="0.696556"></atom>
<atom id="a18" elementType="H" x3="2.161383" y3="-2.945346" z3="0.380926"></atom>
<atom id="a19" elementType="H" x3="1.712859" y3="-4.027229" z3="-0.914751"></atom>
<atom id="a20" elementType="C" x3="1.536680" y3="-0.884684" z3="-1.494186"></atom>
<atom id="a21" elementType="C" x3="-3.503836" y3="-0.472091" z3="-0.747666"></atom>
<atom id="a22" elementType="O" x3="-4.609581" y3="-0.957135" z3="-0.611966"></atom>
<atom id="a23" elementType="O" x3="1.767685" y3="0.301942" z3="-1.642805"></atom>
<atom id="a24" elementType="C" x3="2.025625" y3="0.322558" z3="1.394196"></atom>
<atom id="a25" elementType="C" x3="-0.302753" y3="1.061024" z3="1.576498"></atom>
<atom id="a26" elementType="C" x3="1.448570" y3="2.526882" z3="0.478050"></atom>
<atom id="a27" elementType="C" x3="0.013530" y3="2.298952" z3="0.810347"></atom>
<atom id="a28" elementType="C" x3="2.371491" y3="1.618489" z3="0.745373"></atom>
<atom id="a29" elementType="C" x3="0.624133" y3="0.161263" z3="1.851497"></atom>
<atom id="a30" elementType="O" x3="2.859339" y3="-0.540208" z3="1.537028"></atom>
<atom id="a31" elementType="O" x3="-0.830172" y3="3.092091" z3="0.477656"></atom>
<atom id="a32" elementType="Cl" x3="0.309247" y3="-1.273701" z3="2.735233"></atom>
<atom id="a33" elementType="C" x3="1.744375" y3="3.754602" z3="-0.168577"></atom>
<atom id="a34" elementType="C" x3="3.738578" y3="1.776367" z3="0.400258"></atom>
<atom id="a35" elementType="N" x3="4.839864" y3="1.884287" z3="0.133167"></atom>
<atom id="a36" elementType="N" x3="1.979652" y3="4.745138" z3="-0.677784"></atom>
<atom id="a37" elementType="O" x3="2.459592" y3="-1.825201" z3="-1.771033"></atom>
<atom id="a38" elementType="O" x3="-3.352330" y3="0.860093" z3="-0.910872"></atom>
<atom id="a39" elementType="C" x3="-4.542362" y3="1.706099" z3="-0.809464"></atom>
<atom id="a40" elementType="H" x3="-5.260290" y3="1.395128" z3="-1.552058"></atom>
<atom id="a41" elementType="H" x3="-4.979260" y3="1.565467" z3="0.168011"></atom>
<atom id="a42" elementType="C" x3="-4.059905" y3="3.133114" z3="-1.020049"></atom>
<atom id="a43" elementType="H" x3="-3.689280" y3="3.256204" z3="-2.029518"></atom>
<atom id="a44" elementType="H" x3="-3.254833" y3="3.350387" z3="-0.333139"></atom>
<atom id="a45" elementType="H" x3="-4.873733" y3="3.830474" z3="-0.858599"></atom>
<atom id="a46" elementType="C" x3="3.814029" y3="-1.453208" z3="-2.194842"></atom>
<atom id="a47" elementType="H" x3="3.989897" y3="-1.999110" z3="-3.107675"></atom>
<atom id="a48" elementType="H" x3="3.835365" y3="-0.393689" z3="-2.384345"></atom>
<atom id="a49" elementType="C" x3="4.792099" y3="-1.854064" z3="-1.094420"></atom>
<atom id="a50" elementType="H" x3="4.734066" y3="-2.919276" z3="-0.911005"></atom>
<atom id="a51" elementType="H" x3="4.561564" y3="-1.328635" z3="-0.178734"></atom>
<atom id="a52" elementType="H" x3="5.803596" y3="-1.605880" z3="-1.393529"></atom>
<atom id="a53" elementType="Cl" x3="-1.935880" y3="0.894621" z3="2.048385"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364481789e+03</scalar>
<scalar title="Time">-8.07152</scalar>
<scalar title="Reaction Coordinate">-27</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.956223" y3="-0.496865" z3="-1.191748"></atom>
<atom id="a1" elementType="C" x3="-2.212397" y3="-2.399946" z3="-0.128722"></atom>
<atom id="a2" elementType="C" x3="0.190644" y3="-2.598891" z3="-0.390224"></atom>
<atom id="a3" elementType="N" x3="-1.022021" y3="-3.074388" z3="0.042529"></atom>
<atom id="a4" elementType="C" x3="0.262563" y3="-1.413397" z3="-1.009481"></atom>
<atom id="a5" elementType="C" x3="-2.226127" y3="-1.187571" z3="-0.692361"></atom>
<atom id="a6" elementType="H" x3="-0.805040" y3="0.393018" z3="-0.601794"></atom>
<atom id="a7" elementType="H" x3="-1.043876" y3="-3.954022" z3="0.507745"></atom>
<atom id="a8" elementType="C" x3="-1.101560" y3="-0.030333" z3="-2.659539"></atom>
<atom id="a9" elementType="H" x3="-1.246318" y3="-0.885716" z3="-3.308775"></atom>
<atom id="a10" elementType="H" x3="-0.213561" y3="0.503659" z3="-2.963354"></atom>
<atom id="a11" elementType="H" x3="-1.948261" y3="0.632278" z3="-2.743446"></atom>
<atom id="a12" elementType="C" x3="-3.415644" y3="-3.149666" z3="0.410286"></atom>
<atom id="a13" elementType="H" x3="-4.000153" y3="-2.522371" z3="1.063787"></atom>
<atom id="a14" elementType="H" x3="-3.091842" y3="-4.028232" z3="0.953482"></atom>
<atom id="a15" elementType="H" x3="-4.065180" y3="-3.448495" z3="-0.399040"></atom>
<atom id="a16" elementType="C" x3="1.350931" y3="-3.509545" z3="-0.030286"></atom>
<atom id="a17" elementType="H" x3="1.027350" y3="-4.234381" z3="0.705692"></atom>
<atom id="a18" elementType="H" x3="2.162983" y3="-2.938615" z3="0.386556"></atom>
<atom id="a19" elementType="H" x3="1.714442" y3="-4.023887" z3="-0.906167"></atom>
<atom id="a20" elementType="C" x3="1.537584" y3="-0.884352" z3="-1.495039"></atom>
<atom id="a21" elementType="C" x3="-3.505270" y3="-0.472913" z3="-0.748138"></atom>
<atom id="a22" elementType="O" x3="-4.610257" y3="-0.960335" z3="-0.615167"></atom>
<atom id="a23" elementType="O" x3="1.771116" y3="0.301489" z3="-1.645973"></atom>
<atom id="a24" elementType="C" x3="2.025726" y3="0.320458" z3="1.391919"></atom>
<atom id="a25" elementType="C" x3="-0.303190" y3="1.057753" z3="1.571200"></atom>
<atom id="a26" elementType="C" x3="1.448355" y3="2.524146" z3="0.474216"></atom>
<atom id="a27" elementType="C" x3="0.013056" y3="2.295529" z3="0.804765"></atom>
<atom id="a28" elementType="C" x3="2.371423" y3="1.616248" z3="0.742663"></atom>
<atom id="a29" elementType="C" x3="0.623879" y3="0.158523" z3="1.847493"></atom>
<atom id="a30" elementType="O" x3="2.860197" y3="-0.541246" z3="1.536998"></atom>
<atom id="a31" elementType="O" x3="-0.830731" y3="3.087934" z3="0.470605"></atom>
<atom id="a32" elementType="Cl" x3="0.308335" y3="-1.276250" z3="2.731313"></atom>
<atom id="a33" elementType="C" x3="1.744692" y3="3.752986" z3="-0.170016"></atom>
<atom id="a34" elementType="C" x3="3.739028" y3="1.775498" z3="0.400264"></atom>
<atom id="a35" elementType="N" x3="4.840827" y3="1.884947" z3="0.135944"></atom>
<atom id="a36" elementType="N" x3="1.980612" y3="4.744991" z3="-0.676041"></atom>
<atom id="a37" elementType="O" x3="2.458562" y3="-1.827039" z3="-1.771158"></atom>
<atom id="a38" elementType="O" x3="-3.355736" y3="0.859864" z3="-0.907463"></atom>
<atom id="a39" elementType="C" x3="-4.546060" y3="1.705184" z3="-0.805862"></atom>
<atom id="a40" elementType="H" x3="-5.264366" y3="1.393557" z3="-1.547805"></atom>
<atom id="a41" elementType="H" x3="-4.982189" y3="1.565159" z3="0.172069"></atom>
<atom id="a42" elementType="C" x3="-4.063570" y3="3.132065" z3="-1.017751"></atom>
<atom id="a43" elementType="H" x3="-3.694639" y3="3.254626" z3="-2.027905"></atom>
<atom id="a44" elementType="H" x3="-3.257148" y3="3.349107" z3="-0.332385"></atom>
<atom id="a45" elementType="H" x3="-4.876757" y3="3.829875" z3="-0.855139"></atom>
<atom id="a46" elementType="C" x3="3.813791" y3="-1.457663" z3="-2.194812"></atom>
<atom id="a47" elementType="H" x3="3.990029" y3="-2.007022" z3="-3.105481"></atom>
<atom id="a48" elementType="H" x3="3.836087" y3="-0.398863" z3="-2.388124"></atom>
<atom id="a49" elementType="C" x3="4.790746" y3="-1.855194" z3="-1.092140"></atom>
<atom id="a50" elementType="H" x3="4.732415" y3="-2.919808" z3="-0.905353"></atom>
<atom id="a51" elementType="H" x3="4.559678" y3="-1.326874" z3="-0.178284"></atom>
<atom id="a52" elementType="H" x3="5.802549" y3="-1.608174" z3="-1.391202"></atom>
<atom id="a53" elementType="Cl" x3="-1.936694" y3="0.890198" z3="2.041338"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364481119e+03</scalar>
<scalar title="Time">-7.77175</scalar>
<scalar title="Reaction Coordinate">-26</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.955317" y3="-0.491720" z3="-1.184899"></atom>
<atom id="a1" elementType="C" x3="-2.211205" y3="-2.397399" z3="-0.125593"></atom>
<atom id="a2" elementType="C" x3="0.192015" y3="-2.594471" z3="-0.385193"></atom>
<atom id="a3" elementType="N" x3="-1.019970" y3="-3.069189" z3="0.049582"></atom>
<atom id="a4" elementType="C" x3="0.263171" y3="-1.410258" z3="-1.007497"></atom>
<atom id="a5" elementType="C" x3="-2.226057" y3="-1.186069" z3="-0.691619"></atom>
<atom id="a6" elementType="H" x3="-0.804506" y3="0.391746" z3="-0.585988"></atom>
<atom id="a7" elementType="H" x3="-1.041049" y3="-3.947349" z3="0.517648"></atom>
<atom id="a8" elementType="C" x3="-1.097684" y3="-0.007187" z3="-2.647011"></atom>
<atom id="a9" elementType="H" x3="-1.242589" y3="-0.853885" z3="-3.307502"></atom>
<atom id="a10" elementType="H" x3="-0.208401" y3="0.529058" z3="-2.942528"></atom>
<atom id="a11" elementType="H" x3="-1.943185" y3="0.657391" z3="-2.723595"></atom>
<atom id="a12" elementType="C" x3="-3.413928" y3="-3.148228" z3="0.413251"></atom>
<atom id="a13" elementType="H" x3="-3.998287" y3="-2.521650" z3="1.067684"></atom>
<atom id="a14" elementType="H" x3="-3.089438" y3="-4.026989" z3="0.955703"></atom>
<atom id="a15" elementType="H" x3="-4.063822" y3="-3.446745" z3="-0.395799"></atom>
<atom id="a16" elementType="C" x3="1.352659" y3="-3.504015" z3="-0.023171"></atom>
<atom id="a17" elementType="H" x3="1.029026" y3="-4.227168" z3="0.714508"></atom>
<atom id="a18" elementType="H" x3="2.164427" y3="-2.931825" z3="0.392697"></atom>
<atom id="a19" elementType="H" x3="1.716541" y3="-4.020352" z3="-0.897809"></atom>
<atom id="a20" elementType="C" x3="1.538385" y3="-0.884099" z3="-1.495902"></atom>
<atom id="a21" elementType="C" x3="-3.506703" y3="-0.473799" z3="-0.748532"></atom>
<atom id="a22" elementType="O" x3="-4.610957" y3="-0.963465" z3="-0.618019"></atom>
<atom id="a23" elementType="O" x3="1.774347" y3="0.300966" z3="-1.649173"></atom>
<atom id="a24" elementType="C" x3="2.025781" y3="0.318306" z3="1.389512"></atom>
<atom id="a25" elementType="C" x3="-0.303657" y3="1.054421" z3="1.565809"></atom>
<atom id="a26" elementType="C" x3="1.448064" y3="2.521325" z3="0.470142"></atom>
<atom id="a27" elementType="C" x3="0.012545" y3="2.292090" z3="0.799110"></atom>
<atom id="a28" elementType="C" x3="2.371269" y3="1.613903" z3="0.739677"></atom>
<atom id="a29" elementType="C" x3="0.623622" y3="0.155747" z3="1.843347"></atom>
<atom id="a30" elementType="O" x3="2.861083" y3="-0.542220" z3="1.537035"></atom>
<atom id="a31" elementType="O" x3="-0.831301" y3="3.083948" z3="0.463772"></atom>
<atom id="a32" elementType="Cl" x3="0.307356" y3="-1.278748" z3="2.727373"></atom>
<atom id="a33" elementType="C" x3="1.744967" y3="3.751372" z3="-0.171502"></atom>
<atom id="a34" elementType="C" x3="3.739397" y3="1.774594" z3="0.400107"></atom>
<atom id="a35" elementType="N" x3="4.841737" y3="1.885660" z3="0.138737"></atom>
<atom id="a36" elementType="N" x3="1.981577" y3="4.744967" z3="-0.674077"></atom>
<atom id="a37" elementType="O" x3="2.457567" y3="-1.828841" z3="-1.771169"></atom>
<atom id="a38" elementType="O" x3="-3.359024" y3="0.859509" z3="-0.904177"></atom>
<atom id="a39" elementType="C" x3="-4.549483" y3="1.704350" z3="-0.802459"></atom>
<atom id="a40" elementType="H" x3="-5.268184" y3="1.392192" z3="-1.543790"></atom>
<atom id="a41" elementType="H" x3="-4.984921" y3="1.565029" z3="0.175906"></atom>
<atom id="a42" elementType="C" x3="-4.066709" y3="3.131023" z3="-1.015637"></atom>
<atom id="a43" elementType="H" x3="-3.699432" y3="3.253010" z3="-2.026471"></atom>
<atom id="a44" elementType="H" x3="-3.258930" y3="3.347703" z3="-0.331778"></atom>
<atom id="a45" elementType="H" x3="-4.879150" y3="3.829417" z3="-0.851874"></atom>
<atom id="a46" elementType="C" x3="3.813539" y3="-1.461807" z3="-2.194638"></atom>
<atom id="a47" elementType="H" x3="3.990188" y3="-2.014368" z3="-3.103275"></atom>
<atom id="a48" elementType="H" x3="3.836661" y3="-0.403688" z3="-2.391500"></atom>
<atom id="a49" elementType="C" x3="4.789427" y3="-1.856178" z3="-1.089842"></atom>
<atom id="a50" elementType="H" x3="4.730923" y3="-2.920237" z3="-0.899971"></atom>
<atom id="a51" elementType="H" x3="4.557771" y3="-1.325234" z3="-0.177695"></atom>
<atom id="a52" elementType="H" x3="5.801502" y3="-1.610110" z3="-1.388784"></atom>
<atom id="a53" elementType="Cl" x3="-1.937483" y3="0.885828" z3="2.034320"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364480412e+03</scalar>
<scalar title="Time">-7.47191</scalar>
<scalar title="Reaction Coordinate">-25</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.954471" y3="-0.486888" z3="-1.177990"></atom>
<atom id="a1" elementType="C" x3="-2.210065" y3="-2.395031" z3="-0.122507"></atom>
<atom id="a2" elementType="C" x3="0.193370" y3="-2.590243" z3="-0.380244"></atom>
<atom id="a3" elementType="N" x3="-1.017959" y3="-3.064174" z3="0.056528"></atom>
<atom id="a4" elementType="C" x3="0.263727" y3="-1.407315" z3="-1.005583"></atom>
<atom id="a5" elementType="C" x3="-2.226040" y3="-1.184774" z3="-0.690951"></atom>
<atom id="a6" elementType="H" x3="-0.804123" y3="0.389933" z3="-0.569839"></atom>
<atom id="a7" elementType="H" x3="-1.038289" y3="-3.940927" z3="0.527277"></atom>
<atom id="a8" elementType="C" x3="-1.093769" y3="0.016241" z3="-2.634100"></atom>
<atom id="a9" elementType="H" x3="-1.239020" y3="-0.821369" z3="-3.306103"></atom>
<atom id="a10" elementType="H" x3="-0.203069" y3="0.554532" z3="-2.920812"></atom>
<atom id="a11" elementType="H" x3="-1.937886" y3="0.683027" z3="-2.703110"></atom>
<atom id="a12" elementType="C" x3="-3.412236" y3="-3.146914" z3="0.416289"></atom>
<atom id="a13" elementType="H" x3="-3.996263" y3="-2.521045" z3="1.071821"></atom>
<atom id="a14" elementType="H" x3="-3.087059" y3="-4.025955" z3="0.957855"></atom>
<atom id="a15" elementType="H" x3="-4.062662" y3="-3.444955" z3="-0.392408"></atom>
<atom id="a16" elementType="C" x3="1.354370" y3="-3.498605" z3="-0.016075"></atom>
<atom id="a17" elementType="H" x3="1.030814" y3="-4.220207" z3="0.723071"></atom>
<atom id="a18" elementType="H" x3="2.165621" y3="-2.925247" z3="0.398927"></atom>
<atom id="a19" elementType="H" x3="1.718730" y3="-4.016649" z3="-0.889307"></atom>
<atom id="a20" elementType="C" x3="1.539081" y3="-0.883920" z3="-1.496769"></atom>
<atom id="a21" elementType="C" x3="-3.508123" y3="-0.474754" z3="-0.748853"></atom>
<atom id="a22" elementType="O" x3="-4.611654" y3="-0.966501" z3="-0.620537"></atom>
<atom id="a23" elementType="O" x3="1.777345" y3="0.300392" z3="-1.652390"></atom>
<atom id="a24" elementType="C" x3="2.025800" y3="0.316116" z3="1.386961"></atom>
<atom id="a25" elementType="C" x3="-0.304148" y3="1.051074" z3="1.560215"></atom>
<atom id="a26" elementType="C" x3="1.447698" y3="2.518437" z3="0.465841"></atom>
<atom id="a27" elementType="C" x3="0.012006" y3="2.288698" z3="0.793383"></atom>
<atom id="a28" elementType="C" x3="2.371022" y3="1.611464" z3="0.736426"></atom>
<atom id="a29" elementType="C" x3="0.623323" y3="0.152920" z3="1.839006"></atom>
<atom id="a30" elementType="O" x3="2.862040" y3="-0.543134" z3="1.537186"></atom>
<atom id="a31" elementType="O" x3="-0.831871" y3="3.080169" z3="0.457215"></atom>
<atom id="a32" elementType="Cl" x3="0.306311" y3="-1.281185" z3="2.723441"></atom>
<atom id="a33" elementType="C" x3="1.745205" y3="3.749770" z3="-0.173025"></atom>
<atom id="a34" elementType="C" x3="3.739685" y3="1.773652" z3="0.399795"></atom>
<atom id="a35" elementType="N" x3="4.842583" y3="1.886421" z3="0.141554"></atom>
<atom id="a36" elementType="N" x3="1.982541" y3="4.745052" z3="-0.671902"></atom>
<atom id="a37" elementType="O" x3="2.456612" y3="-1.830564" z3="-1.771103"></atom>
<atom id="a38" elementType="O" x3="-3.362171" y3="0.859052" z3="-0.901032"></atom>
<atom id="a39" elementType="C" x3="-4.552628" y3="1.703610" z3="-0.799259"></atom>
<atom id="a40" elementType="H" x3="-5.271725" y3="1.391031" z3="-1.540022"></atom>
<atom id="a41" elementType="H" x3="-4.987453" y3="1.565060" z3="0.179511"></atom>
<atom id="a42" elementType="C" x3="-4.069349" y3="3.130008" z3="-1.013695"></atom>
<atom id="a43" elementType="H" x3="-3.703704" y3="3.251407" z3="-2.025203"></atom>
<atom id="a44" elementType="H" x3="-3.260191" y3="3.346192" z3="-0.331331"></atom>
<atom id="a45" elementType="H" x3="-4.880944" y3="3.829098" z3="-0.848768"></atom>
<atom id="a46" elementType="C" x3="3.813263" y3="-1.465621" z3="-2.194339"></atom>
<atom id="a47" elementType="H" x3="3.990360" y3="-2.021104" z3="-3.101087"></atom>
<atom id="a48" elementType="H" x3="3.837101" y3="-0.408143" z3="-2.394459"></atom>
<atom id="a49" elementType="C" x3="4.788131" y3="-1.857018" z3="-1.087546"></atom>
<atom id="a50" elementType="H" x3="4.729590" y3="-2.920576" z3="-0.894896"></atom>
<atom id="a51" elementType="H" x3="4.555798" y3="-1.323758" z3="-0.176960"></atom>
<atom id="a52" elementType="H" x3="5.800445" y3="-1.611690" z3="-1.386290"></atom>
<atom id="a53" elementType="Cl" x3="-1.938236" y3="0.881518" z3="2.027340"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364479665e+03</scalar>
<scalar title="Time">-7.17203</scalar>
<scalar title="Reaction Coordinate">-24</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.953687" y3="-0.482229" z3="-1.171107"></atom>
<atom id="a1" elementType="C" x3="-2.208965" y3="-2.392835" z3="-0.119468"></atom>
<atom id="a2" elementType="C" x3="0.194687" y3="-2.586200" z3="-0.375363"></atom>
<atom id="a3" elementType="N" x3="-1.015994" y3="-3.059343" z3="0.063367"></atom>
<atom id="a4" elementType="C" x3="0.264218" y3="-1.404529" z3="-1.003709"></atom>
<atom id="a5" elementType="C" x3="-2.226066" y3="-1.183648" z3="-0.690326"></atom>
<atom id="a6" elementType="H" x3="-0.803712" y3="0.387729" z3="-0.553557"></atom>
<atom id="a7" elementType="H" x3="-1.035594" y3="-3.934699" z3="0.536737"></atom>
<atom id="a8" elementType="C" x3="-1.089813" y3="0.039844" z3="-2.620746"></atom>
<atom id="a9" elementType="H" x3="-1.235705" y3="-0.788197" z3="-3.304395"></atom>
<atom id="a10" elementType="H" x3="-0.197644" y3="0.579775" z3="-2.898738"></atom>
<atom id="a11" elementType="H" x3="-1.932430" y3="0.709008" z3="-2.681788"></atom>
<atom id="a12" elementType="C" x3="-3.410568" y3="-3.145717" z3="0.419395"></atom>
<atom id="a13" elementType="H" x3="-3.994099" y3="-2.520557" z3="1.076169"></atom>
<atom id="a14" elementType="H" x3="-3.084706" y3="-4.025120" z3="0.959945"></atom>
<atom id="a15" elementType="H" x3="-4.061681" y3="-3.443156" z3="-0.388871"></atom>
<atom id="a16" elementType="C" x3="1.356106" y3="-3.493304" z3="-0.009010"></atom>
<atom id="a17" elementType="H" x3="1.032456" y3="-4.213673" z3="0.731328"></atom>
<atom id="a18" elementType="H" x3="2.166722" y3="-2.918647" z3="0.405594"></atom>
<atom id="a19" elementType="H" x3="1.721374" y3="-4.012778" z3="-0.881036"></atom>
<atom id="a20" elementType="C" x3="1.539664" y3="-0.883796" z3="-1.497624"></atom>
<atom id="a21" elementType="C" x3="-3.509505" y3="-0.475747" z3="-0.749107"></atom>
<atom id="a22" elementType="O" x3="-4.612350" y3="-0.969434" z3="-0.622743"></atom>
<atom id="a23" elementType="O" x3="1.780113" y3="0.299768" z3="-1.655621"></atom>
<atom id="a24" elementType="C" x3="2.025783" y3="0.313845" z3="1.384237"></atom>
<atom id="a25" elementType="C" x3="-0.304650" y3="1.047636" z3="1.554409"></atom>
<atom id="a26" elementType="C" x3="1.447254" y3="2.515467" z3="0.461305"></atom>
<atom id="a27" elementType="C" x3="0.011422" y3="2.285295" z3="0.787559"></atom>
<atom id="a28" elementType="C" x3="2.370675" y3="1.608918" z3="0.732903"></atom>
<atom id="a29" elementType="C" x3="0.622979" y3="0.149991" z3="1.834418"></atom>
<atom id="a30" elementType="O" x3="2.863076" y3="-0.543939" z3="1.537466"></atom>
<atom id="a31" elementType="O" x3="-0.832451" y3="3.076591" z3="0.450946"></atom>
<atom id="a32" elementType="Cl" x3="0.305199" y3="-1.283548" z3="2.719531"></atom>
<atom id="a33" elementType="C" x3="1.745402" y3="3.748168" z3="-0.174579"></atom>
<atom id="a34" elementType="C" x3="3.739883" y3="1.772677" z3="0.399348"></atom>
<atom id="a35" elementType="N" x3="4.843365" y3="1.887229" z3="0.144406"></atom>
<atom id="a36" elementType="N" x3="1.983504" y3="4.745236" z3="-0.669514"></atom>
<atom id="a37" elementType="O" x3="2.455684" y3="-1.832226" z3="-1.770940"></atom>
<atom id="a38" elementType="O" x3="-3.365159" y3="0.858497" z3="-0.898047"></atom>
<atom id="a39" elementType="C" x3="-4.555484" y3="1.702955" z3="-0.796268"></atom>
<atom id="a40" elementType="H" x3="-5.274991" y3="1.390068" z3="-1.536503"></atom>
<atom id="a41" elementType="H" x3="-4.989766" y3="1.565226" z3="0.182880"></atom>
<atom id="a42" elementType="C" x3="-4.071522" y3="3.129034" z3="-1.011913"></atom>
<atom id="a43" elementType="H" x3="-3.707516" y3="3.249861" z3="-2.024084"></atom>
<atom id="a44" elementType="H" x3="-3.260981" y3="3.344610" z3="-0.331034"></atom>
<atom id="a45" elementType="H" x3="-4.882190" y3="3.828897" z3="-0.845783"></atom>
<atom id="a46" elementType="C" x3="3.812953" y3="-1.469100" z3="-2.193922"></atom>
<atom id="a47" elementType="H" x3="3.990527" y3="-2.027229" z3="-3.098936"></atom>
<atom id="a48" elementType="H" x3="3.837370" y3="-0.412220" z3="-2.397008"></atom>
<atom id="a49" elementType="C" x3="4.786841" y3="-1.857722" z3="-1.085263"></atom>
<atom id="a50" elementType="H" x3="4.728364" y3="-2.920835" z3="-0.890138"></atom>
<atom id="a51" elementType="H" x3="4.553781" y3="-1.322417" z3="-0.176097"></atom>
<atom id="a52" elementType="H" x3="5.799375" y3="-1.612938" z3="-1.383733"></atom>
<atom id="a53" elementType="Cl" x3="-1.938947" y3="0.877275" z3="2.020410"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364478877e+03</scalar>
<scalar title="Time">-6.87213</scalar>
<scalar title="Reaction Coordinate">-23</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.952959" y3="-0.477832" z3="-1.164200"></atom>
<atom id="a1" elementType="C" x3="-2.207904" y3="-2.390815" z3="-0.116472"></atom>
<atom id="a2" elementType="C" x3="0.195981" y3="-2.582353" z3="-0.370550"></atom>
<atom id="a3" elementType="N" x3="-1.014070" y3="-3.054726" z3="0.070072"></atom>
<atom id="a4" elementType="C" x3="0.264664" y3="-1.401922" z3="-1.001858"></atom>
<atom id="a5" elementType="C" x3="-2.226112" y3="-1.182683" z3="-0.689719"></atom>
<atom id="a6" elementType="H" x3="-0.803449" y3="0.384926" z3="-0.537338"></atom>
<atom id="a7" elementType="H" x3="-1.032942" y3="-3.928621" z3="0.546110"></atom>
<atom id="a8" elementType="C" x3="-1.085824" y3="0.063600" z3="-2.607008"></atom>
<atom id="a9" elementType="H" x3="-1.232808" y3="-0.754404" z3="-3.302520"></atom>
<atom id="a10" elementType="H" x3="-0.191872" y3="0.604788" z3="-2.876090"></atom>
<atom id="a11" elementType="H" x3="-1.926504" y3="0.735393" z3="-2.659727"></atom>
<atom id="a12" elementType="C" x3="-3.408926" y3="-3.144642" z3="0.422562"></atom>
<atom id="a13" elementType="H" x3="-3.991807" y3="-2.520175" z3="1.080699"></atom>
<atom id="a14" elementType="H" x3="-3.082386" y3="-4.024468" z3="0.961994"></atom>
<atom id="a15" elementType="H" x3="-4.060864" y3="-3.441363" z3="-0.385201"></atom>
<atom id="a16" elementType="C" x3="1.357861" y3="-3.488131" z3="-0.001965"></atom>
<atom id="a17" elementType="H" x3="1.034115" y3="-4.207506" z3="0.739258"></atom>
<atom id="a18" elementType="H" x3="2.167582" y3="-2.912200" z3="0.412563"></atom>
<atom id="a19" elementType="H" x3="1.724316" y3="-4.008672" z3="-0.872746"></atom>
<atom id="a20" elementType="C" x3="1.540128" y3="-0.883732" z3="-1.498459"></atom>
<atom id="a21" elementType="C" x3="-3.510842" y3="-0.476782" z3="-0.749305"></atom>
<atom id="a22" elementType="O" x3="-4.613026" y3="-0.972250" z3="-0.624657"></atom>
<atom id="a23" elementType="O" x3="1.782624" y3="0.299109" z3="-1.658854"></atom>
<atom id="a24" elementType="C" x3="2.025725" y3="0.311496" z3="1.381342"></atom>
<atom id="a25" elementType="C" x3="-0.305191" y3="1.044089" z3="1.548328"></atom>
<atom id="a26" elementType="C" x3="1.446729" y3="2.512427" z3="0.456556"></atom>
<atom id="a27" elementType="C" x3="0.010786" y3="2.281910" z3="0.781629"></atom>
<atom id="a28" elementType="C" x3="2.370233" y3="1.606274" z3="0.729127"></atom>
<atom id="a29" elementType="C" x3="0.622610" y3="0.146908" z3="1.829517"></atom>
<atom id="a30" elementType="O" x3="2.864197" y3="-0.544632" z3="1.537885"></atom>
<atom id="a31" elementType="O" x3="-0.833032" y3="3.073232" z3="0.444998"></atom>
<atom id="a32" elementType="Cl" x3="0.304020" y3="-1.285824" z3="2.715662"></atom>
<atom id="a33" elementType="C" x3="1.745556" y3="3.746576" z3="-0.176161"></atom>
<atom id="a34" elementType="C" x3="3.739996" y3="1.771678" z3="0.398786"></atom>
<atom id="a35" elementType="N" x3="4.844069" y3="1.888078" z3="0.147295"></atom>
<atom id="a36" elementType="N" x3="1.984463" y3="4.745505" z3="-0.666929"></atom>
<atom id="a37" elementType="O" x3="2.454776" y3="-1.833799" z3="-1.770697"></atom>
<atom id="a38" elementType="O" x3="-3.367973" y3="0.857867" z3="-0.895238"></atom>
<atom id="a39" elementType="C" x3="-4.558047" y3="1.702386" z3="-0.793484"></atom>
<atom id="a40" elementType="H" x3="-5.277972" y3="1.389298" z3="-1.533228"></atom>
<atom id="a41" elementType="H" x3="-4.991849" y3="1.565513" z3="0.186018"></atom>
<atom id="a42" elementType="C" x3="-4.073270" y3="3.128117" z3="-1.010278"></atom>
<atom id="a43" elementType="H" x3="-3.710925" y3="3.248419" z3="-2.023118"></atom>
<atom id="a44" elementType="H" x3="-3.261320" y3="3.342983" z3="-0.330885"></atom>
<atom id="a45" elementType="H" x3="-4.882954" y3="3.828802" z3="-0.842883"></atom>
<atom id="a46" elementType="C" x3="3.812599" y3="-1.472238" z3="-2.193404"></atom>
<atom id="a47" elementType="H" x3="3.990676" y3="-2.032738" z3="-3.096836"></atom>
<atom id="a48" elementType="H" x3="3.837486" y3="-0.415903" z3="-2.399167"></atom>
<atom id="a49" elementType="C" x3="4.785542" y3="-1.858295" z3="-1.083005"></atom>
<atom id="a50" elementType="H" x3="4.727230" y3="-2.921016" z3="-0.885704"></atom>
<atom id="a51" elementType="H" x3="4.551687" y3="-1.321238" z3="-0.175115"></atom>
<atom id="a52" elementType="H" x3="5.798269" y3="-1.613872" z3="-1.381117"></atom>
<atom id="a53" elementType="Cl" x3="-1.939607" y3="0.873116" z3="2.013546"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364478045e+03</scalar>
<scalar title="Time">-6.57224</scalar>
<scalar title="Reaction Coordinate">-22</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.952247" y3="-0.473707" z3="-1.157288"></atom>
<atom id="a1" elementType="C" x3="-2.206876" y3="-2.388984" z3="-0.113515"></atom>
<atom id="a2" elementType="C" x3="0.197256" y3="-2.578717" z3="-0.365790"></atom>
<atom id="a3" elementType="N" x3="-1.012194" y3="-3.050334" z3="0.076631"></atom>
<atom id="a4" elementType="C" x3="0.265057" y3="-1.399507" z3="-1.000022"></atom>
<atom id="a5" elementType="C" x3="-2.226183" y3="-1.181903" z3="-0.689159"></atom>
<atom id="a6" elementType="H" x3="-0.803053" y3="0.381753" z3="-0.520948"></atom>
<atom id="a7" elementType="H" x3="-1.030344" y3="-3.922807" z3="0.555410"></atom>
<atom id="a8" elementType="C" x3="-1.081804" y3="0.087434" z3="-2.592822"></atom>
<atom id="a9" elementType="H" x3="-1.230184" y3="-0.720071" z3="-3.300222"></atom>
<atom id="a10" elementType="H" x3="-0.186000" y3="0.629399" z3="-2.852930"></atom>
<atom id="a11" elementType="H" x3="-1.920454" y3="0.762116" z3="-2.636929"></atom>
<atom id="a12" elementType="C" x3="-3.407314" y3="-3.143690" z3="0.425785"></atom>
<atom id="a13" elementType="H" x3="-3.989413" y3="-2.519889" z3="1.085377"></atom>
<atom id="a14" elementType="H" x3="-3.080121" y3="-4.023998" z3="0.964013"></atom>
<atom id="a15" elementType="H" x3="-4.060193" y3="-3.439598" z3="-0.381415"></atom>
<atom id="a16" elementType="C" x3="1.359650" y3="-3.483094" z3="0.005051"></atom>
<atom id="a17" elementType="H" x3="1.035727" y3="-4.201797" z3="0.746836"></atom>
<atom id="a18" elementType="H" x3="2.168282" y3="-2.905835" z3="0.419914"></atom>
<atom id="a19" elementType="H" x3="1.727645" y3="-4.004353" z3="-0.864585"></atom>
<atom id="a20" elementType="C" x3="1.540471" y3="-0.883706" z3="-1.499266"></atom>
<atom id="a21" elementType="C" x3="-3.512112" y3="-0.477836" z3="-0.749458"></atom>
<atom id="a22" elementType="O" x3="-4.613670" y3="-0.974931" z3="-0.626301"></atom>
<atom id="a23" elementType="O" x3="1.784867" y3="0.298432" z3="-1.662083"></atom>
<atom id="a24" elementType="C" x3="2.025634" y3="0.309044" z3="1.378241"></atom>
<atom id="a25" elementType="C" x3="-0.305760" y3="1.040410" z3="1.541845"></atom>
<atom id="a26" elementType="C" x3="1.446121" y3="2.509319" z3="0.451605"></atom>
<atom id="a27" elementType="C" x3="0.010114" y3="2.278495" z3="0.775588"></atom>
<atom id="a28" elementType="C" x3="2.369690" y3="1.603548" z3="0.725134"></atom>
<atom id="a29" elementType="C" x3="0.622155" y3="0.143640" z3="1.824208"></atom>
<atom id="a30" elementType="O" x3="2.865426" y3="-0.545197" z3="1.538463"></atom>
<atom id="a31" elementType="O" x3="-0.833636" y3="3.070153" z3="0.439413"></atom>
<atom id="a32" elementType="Cl" x3="0.302777" y3="-1.288002" z3="2.711863"></atom>
<atom id="a33" elementType="C" x3="1.745672" y3="3.744996" z3="-0.177735"></atom>
<atom id="a34" elementType="C" x3="3.740011" y3="1.770669" z3="0.398149"></atom>
<atom id="a35" elementType="N" x3="4.844680" y3="1.888952" z3="0.150212"></atom>
<atom id="a36" elementType="N" x3="1.985413" y3="4.745845" z3="-0.664170"></atom>
<atom id="a37" elementType="O" x3="2.453876" y3="-1.835271" z3="-1.770369"></atom>
<atom id="a38" elementType="O" x3="-3.370589" y3="0.857174" z3="-0.892629"></atom>
<atom id="a39" elementType="C" x3="-4.560311" y3="1.701906" z3="-0.790912"></atom>
<atom id="a40" elementType="H" x3="-5.280664" y3="1.388709" z3="-1.530193"></atom>
<atom id="a41" elementType="H" x3="-4.993669" y3="1.565896" z3="0.188919"></atom>
<atom id="a42" elementType="C" x3="-4.074629" y3="3.127276" z3="-1.008783"></atom>
<atom id="a43" elementType="H" x3="-3.713991" y3="3.247131" z3="-2.022295"></atom>
<atom id="a44" elementType="H" x3="-3.261250" y3="3.341357" z3="-0.330879"></atom>
<atom id="a45" elementType="H" x3="-4.883298" y3="3.828798" z3="-0.840034"></atom>
<atom id="a46" elementType="C" x3="3.812188" y3="-1.475033" z3="-2.192797"></atom>
<atom id="a47" elementType="H" x3="3.990783" y3="-2.037635" z3="-3.094802"></atom>
<atom id="a48" elementType="H" x3="3.837437" y3="-0.419201" z3="-2.400950"></atom>
<atom id="a49" elementType="C" x3="4.784215" y3="-1.858747" z3="-1.080784"></atom>
<atom id="a50" elementType="H" x3="4.726154" y3="-2.921133" z3="-0.881616"></atom>
<atom id="a51" elementType="H" x3="4.549513" y3="-1.320212" z3="-0.174021"></atom>
<atom id="a52" elementType="H" x3="5.797118" y3="-1.614504" z3="-1.378453"></atom>
<atom id="a53" elementType="Cl" x3="-1.940192" y3="0.869056" z3="2.006763"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364477166e+03</scalar>
<scalar title="Time">-6.27235</scalar>
<scalar title="Reaction Coordinate">-21</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.951616" y3="-0.469824" z3="-1.150452"></atom>
<atom id="a1" elementType="C" x3="-2.205882" y3="-2.387326" z3="-0.110600"></atom>
<atom id="a2" elementType="C" x3="0.198516" y3="-2.575288" z3="-0.361074"></atom>
<atom id="a3" elementType="N" x3="-1.010343" y3="-3.046177" z3="0.083077"></atom>
<atom id="a4" elementType="C" x3="0.265410" y3="-1.397236" z3="-0.998158"></atom>
<atom id="a5" elementType="C" x3="-2.226262" y3="-1.181284" z3="-0.688595"></atom>
<atom id="a6" elementType="H" x3="-0.802860" y3="0.377938" z3="-0.504562"></atom>
<atom id="a7" elementType="H" x3="-1.027817" y3="-3.917221" z3="0.564366"></atom>
<atom id="a8" elementType="C" x3="-1.077742" y3="0.111288" z3="-2.578232"></atom>
<atom id="a9" elementType="H" x3="-1.228040" y3="-0.685292" z3="-3.297589"></atom>
<atom id="a10" elementType="H" x3="-0.179829" y3="0.653592" z3="-2.829507"></atom>
<atom id="a11" elementType="H" x3="-1.913926" y3="0.788966" z3="-2.613222"></atom>
<atom id="a12" elementType="C" x3="-3.405731" y3="-3.142858" z3="0.429056"></atom>
<atom id="a13" elementType="H" x3="-3.986928" y3="-2.519702" z3="1.090181"></atom>
<atom id="a14" elementType="H" x3="-3.077893" y3="-4.023687" z3="0.966023"></atom>
<atom id="a15" elementType="H" x3="-4.059658" y3="-3.437875" z3="-0.377528"></atom>
<atom id="a16" elementType="C" x3="1.361473" y3="-3.478198" z3="0.012038"></atom>
<atom id="a17" elementType="H" x3="1.037321" y3="-4.196538" z3="0.754057"></atom>
<atom id="a18" elementType="H" x3="2.168779" y3="-2.899581" z3="0.427666"></atom>
<atom id="a19" elementType="H" x3="1.731380" y3="-3.999772" z3="-0.856520"></atom>
<atom id="a20" elementType="C" x3="1.540687" y3="-0.883694" z3="-1.500021"></atom>
<atom id="a21" elementType="C" x3="-3.513288" y3="-0.478895" z3="-0.749567"></atom>
<atom id="a22" elementType="O" x3="-4.614268" y3="-0.977472" z3="-0.627704"></atom>
<atom id="a23" elementType="O" x3="1.786831" y3="0.297749" z3="-1.665308"></atom>
<atom id="a24" elementType="C" x3="2.025498" y3="0.306494" z3="1.374924"></atom>
<atom id="a25" elementType="C" x3="-0.306392" y3="1.036474" z3="1.534919"></atom>
<atom id="a26" elementType="C" x3="1.445432" y3="2.506161" z3="0.446482"></atom>
<atom id="a27" elementType="C" x3="0.009363" y3="2.275064" z3="0.769357"></atom>
<atom id="a28" elementType="C" x3="2.369040" y3="1.600745" z3="0.720957"></atom>
<atom id="a29" elementType="C" x3="0.621652" y3="0.140137" z3="1.818434"></atom>
<atom id="a30" elementType="O" x3="2.866791" y3="-0.545622" z3="1.539220"></atom>
<atom id="a31" elementType="O" x3="-0.834217" y3="3.067306" z3="0.434239"></atom>
<atom id="a32" elementType="Cl" x3="0.301471" y3="-1.290062" z3="2.708151"></atom>
<atom id="a33" elementType="C" x3="1.745750" y3="3.743440" z3="-0.179284"></atom>
<atom id="a34" elementType="C" x3="3.739916" y3="1.769661" z3="0.397484"></atom>
<atom id="a35" elementType="N" x3="4.845176" y3="1.889835" z3="0.153147"></atom>
<atom id="a36" elementType="N" x3="1.986350" y3="4.746232" z3="-0.661260"></atom>
<atom id="a37" elementType="O" x3="2.452975" y3="-1.836632" z3="-1.769965"></atom>
<atom id="a38" elementType="O" x3="-3.372997" y3="0.856432" z3="-0.890234"></atom>
<atom id="a39" elementType="C" x3="-4.562272" y3="1.701509" z3="-0.788549"></atom>
<atom id="a40" elementType="H" x3="-5.283076" y3="1.388298" z3="-1.527388"></atom>
<atom id="a41" elementType="H" x3="-4.995228" y3="1.566361" z3="0.191601"></atom>
<atom id="a42" elementType="C" x3="-4.075646" y3="3.126530" z3="-1.007416"></atom>
<atom id="a43" elementType="H" x3="-3.716781" y3="3.246041" z3="-2.021603"></atom>
<atom id="a44" elementType="H" x3="-3.260828" y3="3.339767" z3="-0.331021"></atom>
<atom id="a45" elementType="H" x3="-4.883287" y3="3.828870" z3="-0.837207"></atom>
<atom id="a46" elementType="C" x3="3.811711" y3="-1.477492" z3="-2.192116"></atom>
<atom id="a47" elementType="H" x3="3.990832" y3="-2.041951" z3="-3.092848"></atom>
<atom id="a48" elementType="H" x3="3.837222" y3="-0.422104" z3="-2.402384"></atom>
<atom id="a49" elementType="C" x3="4.782845" y3="-1.859086" z3="-1.078603"></atom>
<atom id="a50" elementType="H" x3="4.725115" y3="-2.921199" z3="-0.877864"></atom>
<atom id="a51" elementType="H" x3="4.547224" y3="-1.319353" z3="-0.172826"></atom>
<atom id="a52" elementType="H" x3="5.795909" y3="-1.614860" z3="-1.375739"></atom>
<atom id="a53" elementType="Cl" x3="-1.940681" y3="0.865113" z3="2.000077"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364476236e+03</scalar>
<scalar title="Time">-5.97247</scalar>
<scalar title="Reaction Coordinate">-20</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.950984" y3="-0.466267" z3="-1.143574"></atom>
<atom id="a1" elementType="C" x3="-2.204907" y3="-2.385874" z3="-0.107711"></atom>
<atom id="a2" elementType="C" x3="0.199776" y3="-2.572087" z3="-0.356391"></atom>
<atom id="a3" elementType="N" x3="-1.008532" y3="-3.042287" z3="0.089360"></atom>
<atom id="a4" elementType="C" x3="0.265737" y3="-1.395151" z3="-0.996237"></atom>
<atom id="a5" elementType="C" x3="-2.226323" y3="-1.180841" z3="-0.688026"></atom>
<atom id="a6" elementType="H" x3="-0.802629" y3="0.373756" z3="-0.488347"></atom>
<atom id="a7" elementType="H" x3="-1.025344" y3="-3.911954" z3="0.573234"></atom>
<atom id="a8" elementType="C" x3="-1.073705" y3="0.135107" z3="-2.563279"></atom>
<atom id="a9" elementType="H" x3="-1.226607" y3="-0.650019" z3="-3.294708"></atom>
<atom id="a10" elementType="H" x3="-0.173478" y3="0.677031" z3="-2.805716"></atom>
<atom id="a11" elementType="H" x3="-1.907099" y3="0.816394" z3="-2.588810"></atom>
<atom id="a12" elementType="C" x3="-3.404187" y3="-3.142153" z3="0.432366"></atom>
<atom id="a13" elementType="H" x3="-3.984384" y3="-2.519595" z3="1.095067"></atom>
<atom id="a14" elementType="H" x3="-3.075754" y3="-4.023542" z3="0.968021"></atom>
<atom id="a15" elementType="H" x3="-4.059233" y3="-3.436205" z3="-0.373563"></atom>
<atom id="a16" elementType="C" x3="1.363353" y3="-3.473473" z3="0.018992"></atom>
<atom id="a17" elementType="H" x3="1.038940" y3="-4.191730" z3="0.760945"></atom>
<atom id="a18" elementType="H" x3="2.169164" y3="-2.893496" z3="0.435692"></atom>
<atom id="a19" elementType="H" x3="1.735405" y3="-3.995037" z3="-0.848553"></atom>
<atom id="a20" elementType="C" x3="1.540781" y3="-0.883709" z3="-1.500718"></atom>
<atom id="a21" elementType="C" x3="-3.514359" y3="-0.479957" z3="-0.749647"></atom>
<atom id="a22" elementType="O" x3="-4.614781" y3="-0.979854" z3="-0.628895"></atom>
<atom id="a23" elementType="O" x3="1.788486" y3="0.297084" z3="-1.668513"></atom>
<atom id="a24" elementType="C" x3="2.025312" y3="0.303779" z3="1.371344"></atom>
<atom id="a25" elementType="C" x3="-0.307073" y3="1.032300" z3="1.527375"></atom>
<atom id="a26" elementType="C" x3="1.444652" y3="2.502978" z3="0.441249"></atom>
<atom id="a27" elementType="C" x3="0.008567" y3="2.271595" z3="0.762950"></atom>
<atom id="a28" elementType="C" x3="2.368273" y3="1.597896" z3="0.716673"></atom>
<atom id="a29" elementType="C" x3="0.621042" y3="0.136289" z3="1.812011"></atom>
<atom id="a30" elementType="O" x3="2.868314" y3="-0.545868" z3="1.540179"></atom>
<atom id="a31" elementType="O" x3="-0.834814" y3="3.064806" z3="0.429500"></atom>
<atom id="a32" elementType="Cl" x3="0.300107" y3="-1.291995" z3="2.704570"></atom>
<atom id="a33" elementType="C" x3="1.745791" y3="3.741924" z3="-0.180761"></atom>
<atom id="a34" elementType="C" x3="3.739708" y3="1.768678" z3="0.396852"></atom>
<atom id="a35" elementType="N" x3="4.845530" y3="1.890704" z3="0.156073"></atom>
<atom id="a36" elementType="N" x3="1.987269" y3="4.746654" z3="-0.658241"></atom>
<atom id="a37" elementType="O" x3="2.452064" y3="-1.837856" z3="-1.769488"></atom>
<atom id="a38" elementType="O" x3="-3.375163" y3="0.855674" z3="-0.888077"></atom>
<atom id="a39" elementType="C" x3="-4.563925" y3="1.701207" z3="-0.786396"></atom>
<atom id="a40" elementType="H" x3="-5.285189" y3="1.388046" z3="-1.524809"></atom>
<atom id="a41" elementType="H" x3="-4.996479" y3="1.566883" z3="0.194054"></atom>
<atom id="a42" elementType="C" x3="-4.076365" y3="3.125900" z3="-1.006169"></atom>
<atom id="a43" elementType="H" x3="-3.719363" y3="3.245199" z3="-2.021051"></atom>
<atom id="a44" elementType="H" x3="-3.260068" y3="3.338256" z3="-0.331306"></atom>
<atom id="a45" elementType="H" x3="-4.882986" y3="3.829013" z3="-0.834367"></atom>
<atom id="a46" elementType="C" x3="3.811157" y3="-1.479623" z3="-2.191376"></atom>
<atom id="a47" elementType="H" x3="3.990805" y3="-2.045695" z3="-3.090970"></atom>
<atom id="a48" elementType="H" x3="3.836868" y3="-0.424640" z3="-2.403505"></atom>
<atom id="a49" elementType="C" x3="4.781414" y3="-1.859321" z3="-1.076474"></atom>
<atom id="a50" elementType="H" x3="4.724092" y3="-2.921212" z3="-0.874464"></atom>
<atom id="a51" elementType="H" x3="4.544816" y3="-1.318658" z3="-0.171536"></atom>
<atom id="a52" elementType="H" x3="5.794622" y3="-1.614935" z3="-1.372979"></atom>
<atom id="a53" elementType="Cl" x3="-1.941058" y3="0.861309" z3="1.993517"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364475253e+03</scalar>
<scalar title="Time">-5.67259</scalar>
<scalar title="Reaction Coordinate">-19</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.950424" y3="-0.463006" z3="-1.136778"></atom>
<atom id="a1" elementType="C" x3="-2.203964" y3="-2.384614" z3="-0.104853"></atom>
<atom id="a2" elementType="C" x3="0.201028" y3="-2.569121" z3="-0.351740"></atom>
<atom id="a3" elementType="N" x3="-1.006751" y3="-3.038682" z3="0.095479"></atom>
<atom id="a4" elementType="C" x3="0.266039" y3="-1.393222" z3="-0.994243"></atom>
<atom id="a5" elementType="C" x3="-2.226372" y3="-1.180571" z3="-0.687437"></atom>
<atom id="a6" elementType="H" x3="-0.802553" y3="0.369079" z3="-0.472109"></atom>
<atom id="a7" elementType="H" x3="-1.022933" y3="-3.906970" z3="0.581843"></atom>
<atom id="a8" elementType="C" x3="-1.069615" y3="0.158804" z3="-2.547956"></atom>
<atom id="a9" elementType="H" x3="-1.225286" y3="-0.614461" z3="-3.291258"></atom>
<atom id="a10" elementType="H" x3="-0.166897" y3="0.700062" z3="-2.781629"></atom>
<atom id="a11" elementType="H" x3="-1.899897" y3="0.843503" z3="-2.563577"></atom>
<atom id="a12" elementType="C" x3="-3.402690" y3="-3.141571" z3="0.435706"></atom>
<atom id="a13" elementType="H" x3="-3.981800" y3="-2.519575" z3="1.100017"></atom>
<atom id="a14" elementType="H" x3="-3.073701" y3="-4.023559" z3="0.970020"></atom>
<atom id="a15" elementType="H" x3="-4.058920" y3="-3.434597" z3="-0.369542"></atom>
<atom id="a16" elementType="C" x3="1.365285" y3="-3.468915" z3="0.025893"></atom>
<atom id="a17" elementType="H" x3="1.040536" y3="-4.187521" z3="0.767346"></atom>
<atom id="a18" elementType="H" x3="2.169330" y3="-2.887555" z3="0.444204"></atom>
<atom id="a19" elementType="H" x3="1.739921" y3="-3.989964" z3="-0.840771"></atom>
<atom id="a20" elementType="C" x3="1.540744" y3="-0.883700" z3="-1.501345"></atom>
<atom id="a21" elementType="C" x3="-3.515299" y3="-0.480982" z3="-0.749698"></atom>
<atom id="a22" elementType="O" x3="-4.615204" y3="-0.982078" z3="-0.629893"></atom>
<atom id="a23" elementType="O" x3="1.789835" y3="0.296454" z3="-1.671711"></atom>
<atom id="a24" elementType="C" x3="2.025068" y3="0.300922" z3="1.367498"></atom>
<atom id="a25" elementType="C" x3="-0.307832" y3="1.027764" z3="1.519101"></atom>
<atom id="a26" elementType="C" x3="1.443793" y3="2.499795" z3="0.435960"></atom>
<atom id="a27" elementType="C" x3="0.007689" y3="2.268079" z3="0.756324"></atom>
<atom id="a28" elementType="C" x3="2.367396" y3="1.595033" z3="0.712363"></atom>
<atom id="a29" elementType="C" x3="0.620319" y3="0.132049" z3="1.804850"></atom>
<atom id="a30" elementType="O" x3="2.870001" y3="-0.545932" z3="1.541361"></atom>
<atom id="a31" elementType="O" x3="-0.835395" y3="3.062610" z3="0.425242"></atom>
<atom id="a32" elementType="Cl" x3="0.298698" y3="-1.293763" z3="2.701149"></atom>
<atom id="a33" elementType="C" x3="1.745800" y3="3.740463" z3="-0.182123"></atom>
<atom id="a34" elementType="C" x3="3.739373" y3="1.767743" z3="0.396332"></atom>
<atom id="a35" elementType="N" x3="4.845715" y3="1.891529" z3="0.158941"></atom>
<atom id="a36" elementType="N" x3="1.988161" y3="4.747076" z3="-0.655163"></atom>
<atom id="a37" elementType="O" x3="2.451129" y3="-1.838937" z3="-1.768942"></atom>
<atom id="a38" elementType="O" x3="-3.377099" y3="0.854907" z3="-0.886172"></atom>
<atom id="a39" elementType="C" x3="-4.565285" y3="1.701001" z3="-0.784443"></atom>
<atom id="a40" elementType="H" x3="-5.287040" y3="1.387966" z3="-1.522435"></atom>
<atom id="a41" elementType="H" x3="-4.997441" y3="1.567466" z3="0.196303"></atom>
<atom id="a42" elementType="C" x3="-4.076832" y3="3.125408" z3="-1.005033"></atom>
<atom id="a43" elementType="H" x3="-3.721772" y3="3.244628" z3="-2.020615"></atom>
<atom id="a44" elementType="H" x3="-3.259057" y3="3.336875" z3="-0.331717"></atom>
<atom id="a45" elementType="H" x3="-4.882470" y3="3.829222" z3="-0.831517"></atom>
<atom id="a46" elementType="C" x3="3.810518" y3="-1.481445" z3="-2.190596"></atom>
<atom id="a47" elementType="H" x3="3.990675" y3="-2.048927" z3="-3.089187"></atom>
<atom id="a48" elementType="H" x3="3.836362" y3="-0.426821" z3="-2.404350"></atom>
<atom id="a49" elementType="C" x3="4.779905" y3="-1.859467" z3="-1.074404"></atom>
<atom id="a50" elementType="H" x3="4.723073" y3="-2.921200" z3="-0.871414"></atom>
<atom id="a51" elementType="H" x3="4.542256" y3="-1.318141" z3="-0.170173"></atom>
<atom id="a52" elementType="H" x3="5.793252" y3="-1.614754" z3="-1.370170"></atom>
<atom id="a53" elementType="Cl" x3="-1.941284" y3="0.857666" z3="1.987109"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364474211e+03</scalar>
<scalar title="Time">-5.37275</scalar>
<scalar title="Reaction Coordinate">-18</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.949865" y3="-0.460140" z3="-1.130040"></atom>
<atom id="a1" elementType="C" x3="-2.203043" y3="-2.383559" z3="-0.102011"></atom>
<atom id="a2" elementType="C" x3="0.202284" y3="-2.566399" z3="-0.347122"></atom>
<atom id="a3" elementType="N" x3="-1.005011" y3="-3.035393" z3="0.101410"></atom>
<atom id="a4" elementType="C" x3="0.266330" y3="-1.391452" z3="-0.992129"></atom>
<atom id="a5" elementType="C" x3="-2.226381" y3="-1.180460" z3="-0.686796"></atom>
<atom id="a6" elementType="H" x3="-0.802436" y3="0.363964" z3="-0.456232"></atom>
<atom id="a7" elementType="H" x3="-1.020593" y3="-3.902345" z3="0.590189"></atom>
<atom id="a8" elementType="C" x3="-1.065525" y3="0.182274" z3="-2.532268"></atom>
<atom id="a9" elementType="H" x3="-1.224444" y3="-0.578629" z3="-3.287831"></atom>
<atom id="a10" elementType="H" x3="-0.160245" y3="0.722435" z3="-2.757177"></atom>
<atom id="a11" elementType="H" x3="-1.892585" y3="0.870751" z3="-2.537794"></atom>
<atom id="a12" elementType="C" x3="-3.401256" y3="-3.141114" z3="0.439060"></atom>
<atom id="a13" elementType="H" x3="-3.979216" y3="-2.519637" z3="1.104986"></atom>
<atom id="a14" elementType="H" x3="-3.071779" y3="-4.023728" z3="0.972014"></atom>
<atom id="a15" elementType="H" x3="-4.058702" y3="-3.433052" z3="-0.365506"></atom>
<atom id="a16" elementType="C" x3="1.367278" y3="-3.464557" z3="0.032722"></atom>
<atom id="a17" elementType="H" x3="1.042164" y3="-4.183883" z3="0.773290"></atom>
<atom id="a18" elementType="H" x3="2.169311" y3="-2.881802" z3="0.453087"></atom>
<atom id="a19" elementType="H" x3="1.744837" y3="-3.984623" z3="-0.833166"></atom>
<atom id="a20" elementType="C" x3="1.540582" y3="-0.883663" z3="-1.501887"></atom>
<atom id="a21" elementType="C" x3="-3.516080" y3="-0.481964" z3="-0.749723"></atom>
<atom id="a22" elementType="O" x3="-4.615492" y3="-0.984136" z3="-0.630731"></atom>
<atom id="a23" elementType="O" x3="1.790859" y3="0.295884" z3="-1.674901"></atom>
<atom id="a24" elementType="C" x3="2.024748" y3="0.297881" z3="1.363363"></atom>
<atom id="a25" elementType="C" x3="-0.308690" y3="1.022778" z3="1.509930"></atom>
<atom id="a26" elementType="C" x3="1.442853" y3="2.496657" z3="0.430704"></atom>
<atom id="a27" elementType="C" x3="0.006747" y3="2.264468" z3="0.749429"></atom>
<atom id="a28" elementType="C" x3="2.366403" y3="1.592200" z3="0.708146"></atom>
<atom id="a29" elementType="C" x3="0.619457" y3="0.127310" z3="1.796779"></atom>
<atom id="a30" elementType="O" x3="2.871861" y3="-0.545775" z3="1.542785"></atom>
<atom id="a31" elementType="O" x3="-0.835963" y3="3.060796" z3="0.421511"></atom>
<atom id="a32" elementType="Cl" x3="0.297255" y3="-1.295342" z3="2.697934"></atom>
<atom id="a33" elementType="C" x3="1.745782" y3="3.739084" z3="-0.183311"></atom>
<atom id="a34" elementType="C" x3="3.738899" y3="1.766887" z3="0.396016"></atom>
<atom id="a35" elementType="N" x3="4.845691" y3="1.892276" z3="0.161698"></atom>
<atom id="a36" elementType="N" x3="1.989017" y3="4.747475" z3="-0.652088"></atom>
<atom id="a37" elementType="O" x3="2.450160" y3="-1.839847" z3="-1.768337"></atom>
<atom id="a38" elementType="O" x3="-3.378787" y3="0.854171" z3="-0.884544"></atom>
<atom id="a39" elementType="C" x3="-4.566359" y3="1.700903" z3="-0.782692"></atom>
<atom id="a40" elementType="H" x3="-5.288631" y3="1.388046" z3="-1.520256"></atom>
<atom id="a41" elementType="H" x3="-4.998080" y3="1.568092" z3="0.198351"></atom>
<atom id="a42" elementType="C" x3="-4.077091" y3="3.125075" z3="-1.004004"></atom>
<atom id="a43" elementType="H" x3="-3.724063" y3="3.244371" z3="-2.020294"></atom>
<atom id="a44" elementType="H" x3="-3.257826" y3="3.335660" z3="-0.332256"></atom>
<atom id="a45" elementType="H" x3="-4.881793" y3="3.829498" z3="-0.828647"></atom>
<atom id="a46" elementType="C" x3="3.809791" y3="-1.482980" z3="-2.189791"></atom>
<atom id="a47" elementType="H" x3="3.990429" y3="-2.051689" z3="-3.087495"></atom>
<atom id="a48" elementType="H" x3="3.835740" y3="-0.428676" z3="-2.404969"></atom>
<atom id="a49" elementType="C" x3="4.778315" y3="-1.859534" z3="-1.072398"></atom>
<atom id="a50" elementType="H" x3="4.722060" y3="-2.921166" z3="-0.868716"></atom>
<atom id="a51" elementType="H" x3="4.539521" y3="-1.317812" z3="-0.168736"></atom>
<atom id="a52" elementType="H" x3="5.791784" y3="-1.614314" z3="-1.367317"></atom>
<atom id="a53" elementType="Cl" x3="-1.941338" y3="0.854221" z3="1.980903"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364473105e+03</scalar>
<scalar title="Time">-5.07291</scalar>
<scalar title="Reaction Coordinate">-17</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.949353" y3="-0.457640" z3="-1.123416"></atom>
<atom id="a1" elementType="C" x3="-2.202145" y3="-2.382704" z3="-0.099171"></atom>
<atom id="a2" elementType="C" x3="0.203539" y3="-2.563933" z3="-0.342527"></atom>
<atom id="a3" elementType="N" x3="-1.003301" y3="-3.032433" z3="0.107128"></atom>
<atom id="a4" elementType="C" x3="0.266611" y3="-1.389821" z3="-0.989888"></atom>
<atom id="a5" elementType="C" x3="-2.226344" y3="-1.180506" z3="-0.686081"></atom>
<atom id="a6" elementType="H" x3="-0.802552" y3="0.358320" z3="-0.440487"></atom>
<atom id="a7" elementType="H" x3="-1.018313" y3="-3.898101" z3="0.598261"></atom>
<atom id="a8" elementType="C" x3="-1.061438" y3="0.205414" z3="-2.516322"></atom>
<atom id="a9" elementType="H" x3="-1.223815" y3="-0.542857" z3="-3.283484"></atom>
<atom id="a10" elementType="H" x3="-0.153462" y3="0.744057" z3="-2.732611"></atom>
<atom id="a11" elementType="H" x3="-1.884968" y3="0.897604" z3="-2.510963"></atom>
<atom id="a12" elementType="C" x3="-3.399898" y3="-3.140778" z3="0.442405"></atom>
<atom id="a13" elementType="H" x3="-3.976672" y3="-2.519776" z3="1.109933"></atom>
<atom id="a14" elementType="H" x3="-3.070009" y3="-4.024045" z3="0.973994"></atom>
<atom id="a15" elementType="H" x3="-4.058560" y3="-3.431571" z3="-0.361495"></atom>
<atom id="a16" elementType="C" x3="1.369330" y3="-3.460407" z3="0.039449"></atom>
<atom id="a17" elementType="H" x3="1.043836" y3="-4.180795" z3="0.778774"></atom>
<atom id="a18" elementType="H" x3="2.169162" y3="-2.876280" z3="0.462248"></atom>
<atom id="a19" elementType="H" x3="1.750083" y3="-3.979069" z3="-0.825761"></atom>
<atom id="a20" elementType="C" x3="1.540299" y3="-0.883559" z3="-1.502344"></atom>
<atom id="a21" elementType="C" x3="-3.516681" y3="-0.482871" z3="-0.749728"></atom>
<atom id="a22" elementType="O" x3="-4.615613" y3="-0.986032" z3="-0.631440"></atom>
<atom id="a23" elementType="O" x3="1.791563" y3="0.295390" z3="-1.678079"></atom>
<atom id="a24" elementType="C" x3="2.024354" y3="0.294648" z3="1.358948"></atom>
<atom id="a25" elementType="C" x3="-0.309696" y3="1.017304" z3="1.499691"></atom>
<atom id="a26" elementType="C" x3="1.441839" y3="2.493594" z3="0.425563"></atom>
<atom id="a27" elementType="C" x3="0.005700" y3="2.260843" z3="0.742280"></atom>
<atom id="a28" elementType="C" x3="2.365289" y3="1.589435" z3="0.704123"></atom>
<atom id="a29" elementType="C" x3="0.618450" y3="0.121998" z3="1.787696"></atom>
<atom id="a30" elementType="O" x3="2.873888" y3="-0.545390" z3="1.544450"></atom>
<atom id="a31" elementType="O" x3="-0.836472" y3="3.059330" z3="0.418327"></atom>
<atom id="a32" elementType="Cl" x3="0.295793" y3="-1.296714" z3="2.694955"></atom>
<atom id="a33" elementType="C" x3="1.745738" y3="3.737806" z3="-0.184282"></atom>
<atom id="a34" elementType="C" x3="3.738277" y3="1.766138" z3="0.395998"></atom>
<atom id="a35" elementType="N" x3="4.845427" y3="1.892911" z3="0.164287"></atom>
<atom id="a36" elementType="N" x3="1.989829" y3="4.747829" z3="-0.649071"></atom>
<atom id="a37" elementType="O" x3="2.449154" y3="-1.840580" z3="-1.767680"></atom>
<atom id="a38" elementType="O" x3="-3.380229" y3="0.853485" z3="-0.883209"></atom>
<atom id="a39" elementType="C" x3="-4.567165" y3="1.700917" z3="-0.781131"></atom>
<atom id="a40" elementType="H" x3="-5.289989" y3="1.388290" z3="-1.518254"></atom>
<atom id="a41" elementType="H" x3="-4.998414" y3="1.568758" z3="0.200213"></atom>
<atom id="a42" elementType="C" x3="-4.077186" y3="3.124917" z3="-1.003073"></atom>
<atom id="a43" elementType="H" x3="-3.726270" y3="3.244435" z3="-2.020078"></atom>
<atom id="a44" elementType="H" x3="-3.256426" y3="3.334644" z3="-0.332902"></atom>
<atom id="a45" elementType="H" x3="-4.881014" y3="3.829843" z3="-0.825752"></atom>
<atom id="a46" elementType="C" x3="3.808981" y3="-1.484255" z3="-2.188983"></atom>
<atom id="a47" elementType="H" x3="3.990060" y3="-2.054044" z3="-3.085898"></atom>
<atom id="a48" elementType="H" x3="3.835021" y3="-0.430234" z3="-2.405406"></atom>
<atom id="a49" elementType="C" x3="4.776639" y3="-1.859537" z3="-1.070464"></atom>
<atom id="a50" elementType="H" x3="4.721060" y3="-2.921120" z3="-0.866362"></atom>
<atom id="a51" elementType="H" x3="4.536613" y3="-1.317666" z3="-0.167244"></atom>
<atom id="a52" elementType="H" x3="5.790217" y3="-1.613625" z3="-1.364408"></atom>
<atom id="a53" elementType="Cl" x3="-1.941189" y3="0.850994" z3="1.974931"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364471928e+03</scalar>
<scalar title="Time">-4.77311</scalar>
<scalar title="Reaction Coordinate">-16</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.948866" y3="-0.455560" z3="-1.116865"></atom>
<atom id="a1" elementType="C" x3="-2.201282" y3="-2.382061" z3="-0.096331"></atom>
<atom id="a2" elementType="C" x3="0.204797" y3="-2.561756" z3="-0.337995"></atom>
<atom id="a3" elementType="N" x3="-1.001638" y3="-3.029859" z3="0.112612"></atom>
<atom id="a4" elementType="C" x3="0.266911" y3="-1.388357" z3="-0.987500"></atom>
<atom id="a5" elementType="C" x3="-2.226226" y3="-1.180698" z3="-0.685233"></atom>
<atom id="a6" elementType="H" x3="-0.802696" y3="0.352381" z3="-0.425178"></atom>
<atom id="a7" elementType="H" x3="-1.016118" y3="-3.894283" z3="0.605962"></atom>
<atom id="a8" elementType="C" x3="-1.057359" y3="0.228027" z3="-2.500073"></atom>
<atom id="a9" elementType="H" x3="-1.223464" y3="-0.507011" z3="-3.279331"></atom>
<atom id="a10" elementType="H" x3="-0.146766" y3="0.764942" z3="-2.708010"></atom>
<atom id="a11" elementType="H" x3="-1.877261" y3="0.923807" z3="-2.484241"></atom>
<atom id="a12" elementType="C" x3="-3.398654" y3="-3.140561" z3="0.445715"></atom>
<atom id="a13" elementType="H" x3="-3.974222" y3="-2.519986" z3="1.114804"></atom>
<atom id="a14" elementType="H" x3="-3.068459" y3="-4.024519" z3="0.975951"></atom>
<atom id="a15" elementType="H" x3="-4.058506" y3="-3.430143" z3="-0.357570"></atom>
<atom id="a16" elementType="C" x3="1.371449" y3="-3.456503" z3="0.046030"></atom>
<atom id="a17" elementType="H" x3="1.045576" y3="-4.178325" z3="0.783765"></atom>
<atom id="a18" elementType="H" x3="2.168844" y3="-2.870969" z3="0.471676"></atom>
<atom id="a19" elementType="H" x3="1.755697" y3="-3.973316" z3="-0.818641"></atom>
<atom id="a20" elementType="C" x3="1.539901" y3="-0.883380" z3="-1.502708"></atom>
<atom id="a21" elementType="C" x3="-3.517044" y3="-0.483668" z3="-0.749706"></atom>
<atom id="a22" elementType="O" x3="-4.615495" y3="-0.987766" z3="-0.632046"></atom>
<atom id="a23" elementType="O" x3="1.791926" y3="0.295016" z3="-1.681252"></atom>
<atom id="a24" elementType="C" x3="2.023859" y3="0.291210" z3="1.354188"></atom>
<atom id="a25" elementType="C" x3="-0.310852" y3="1.011168" z3="1.488219"></atom>
<atom id="a26" elementType="C" x3="1.440752" y3="2.490671" z3="0.420646"></atom>
<atom id="a27" elementType="C" x3="0.004562" y3="2.257068" z3="0.734737"></atom>
<atom id="a28" elementType="C" x3="2.364055" y3="1.586818" z3="0.700488"></atom>
<atom id="a29" elementType="C" x3="0.617197" y3="0.115987" z3="1.777374"></atom>
<atom id="a30" elementType="O" x3="2.876122" y3="-0.544742" z3="1.546391"></atom>
<atom id="a31" elementType="O" x3="-0.836929" y3="3.058376" z3="0.415775"></atom>
<atom id="a32" elementType="Cl" x3="0.294337" y3="-1.297850" z3="2.692289"></atom>
<atom id="a33" elementType="C" x3="1.745687" y3="3.736676" z3="-0.184939"></atom>
<atom id="a34" elementType="C" x3="3.737485" y3="1.765541" z3="0.396411"></atom>
<atom id="a35" elementType="N" x3="4.844874" y3="1.893385" z3="0.166608"></atom>
<atom id="a36" elementType="N" x3="1.990584" y3="4.748111" z3="-0.646215"></atom>
<atom id="a37" elementType="O" x3="2.448105" y3="-1.841100" z3="-1.766983"></atom>
<atom id="a38" elementType="O" x3="-3.381423" y3="0.852896" z3="-0.882202"></atom>
<atom id="a39" elementType="C" x3="-4.567732" y3="1.701061" z3="-0.779763"></atom>
<atom id="a40" elementType="H" x3="-5.291155" y3="1.388705" z3="-1.516414"></atom>
<atom id="a41" elementType="H" x3="-4.998422" y3="1.569460" z3="0.201912"></atom>
<atom id="a42" elementType="C" x3="-4.077152" y3="3.124957" z3="-1.002238"></atom>
<atom id="a43" elementType="H" x3="-3.728416" y3="3.244836" z3="-2.019959"></atom>
<atom id="a44" elementType="H" x3="-3.254910" y3="3.333853" z3="-0.333654"></atom>
<atom id="a45" elementType="H" x3="-4.880171" y3="3.830284" z3="-0.822856"></atom>
<atom id="a46" elementType="C" x3="3.808082" y3="-1.485299" z3="-2.188182"></atom>
<atom id="a47" elementType="H" x3="3.989544" y3="-2.056066" z3="-3.084386"></atom>
<atom id="a48" elementType="H" x3="3.834242" y3="-0.431532" z3="-2.405733"></atom>
<atom id="a49" elementType="C" x3="4.774880" y3="-1.859488" z3="-1.068611"></atom>
<atom id="a50" elementType="H" x3="4.720104" y3="-2.921091" z3="-0.864369"></atom>
<atom id="a51" elementType="H" x3="4.533491" y3="-1.317742" z3="-0.165704"></atom>
<atom id="a52" elementType="H" x3="5.788548" y3="-1.612669" z3="-1.361467"></atom>
<atom id="a53" elementType="Cl" x3="-1.940823" y3="0.848038" z3="1.969286"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364470670e+03</scalar>
<scalar title="Time">-4.4733</scalar>
<scalar title="Reaction Coordinate">-15</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.948384" y3="-0.453971" z3="-1.110482"></atom>
<atom id="a1" elementType="C" x3="-2.200459" y3="-2.381614" z3="-0.093479"></atom>
<atom id="a2" elementType="C" x3="0.206045" y3="-2.559867" z3="-0.333534"></atom>
<atom id="a3" elementType="N" x3="-1.000028" y3="-3.027666" z3="0.117818"></atom>
<atom id="a4" elementType="C" x3="0.267221" y3="-1.387047" z3="-0.984982"></atom>
<atom id="a5" elementType="C" x3="-2.226017" y3="-1.181026" z3="-0.684246"></atom>
<atom id="a6" elementType="H" x3="-0.802901" y3="0.345943" z3="-0.410221"></atom>
<atom id="a7" elementType="H" x3="-1.014021" y3="-3.890961" z3="0.613197"></atom>
<atom id="a8" elementType="C" x3="-1.053362" y3="0.249960" z3="-2.483710"></atom>
<atom id="a9" elementType="H" x3="-1.223366" y3="-0.471825" z3="-3.274432"></atom>
<atom id="a10" elementType="H" x3="-0.139916" y3="0.784732" z3="-2.683252"></atom>
<atom id="a11" elementType="H" x3="-1.869447" y3="0.949445" z3="-2.456662"></atom>
<atom id="a12" elementType="C" x3="-3.397543" y3="-3.140449" z3="0.448957"></atom>
<atom id="a13" elementType="H" x3="-3.971927" y3="-2.520260" z3="1.119534"></atom>
<atom id="a14" elementType="H" x3="-3.067170" y3="-4.025134" z3="0.977853"></atom>
<atom id="a15" elementType="H" x3="-4.058516" y3="-3.428754" z3="-0.353794"></atom>
<atom id="a16" elementType="C" x3="1.373608" y3="-3.452845" z3="0.052417"></atom>
<atom id="a17" elementType="H" x3="1.047404" y3="-4.176409" z3="0.788261"></atom>
<atom id="a18" elementType="H" x3="2.168432" y3="-2.865937" z3="0.481163"></atom>
<atom id="a19" elementType="H" x3="1.761539" y3="-3.967417" z3="-0.811835"></atom>
<atom id="a20" elementType="C" x3="1.539400" y3="-0.883085" z3="-1.502988"></atom>
<atom id="a21" elementType="C" x3="-3.517151" y3="-0.484322" z3="-0.749663"></atom>
<atom id="a22" elementType="O" x3="-4.615098" y3="-0.989356" z3="-0.632578"></atom>
<atom id="a23" elementType="O" x3="1.791975" y3="0.294779" z3="-1.684416"></atom>
<atom id="a24" elementType="C" x3="2.023258" y3="0.287571" z3="1.349198"></atom>
<atom id="a25" elementType="C" x3="-0.312222" y3="1.004355" z3="1.475354"></atom>
<atom id="a26" elementType="C" x3="1.439609" y3="2.487936" z3="0.416068"></atom>
<atom id="a27" elementType="C" x3="0.003307" y3="2.253233" z3="0.726854"></atom>
<atom id="a28" elementType="C" x3="2.362707" y3="1.584398" z3="0.697366"></atom>
<atom id="a29" elementType="C" x3="0.615750" y3="0.109254" z3="1.765807"></atom>
<atom id="a30" elementType="O" x3="2.878516" y3="-0.543822" z3="1.548569"></atom>
<atom id="a31" elementType="O" x3="-0.837282" y3="3.057896" z3="0.413847"></atom>
<atom id="a32" elementType="Cl" x3="0.292908" y3="-1.298736" z3="2.689965"></atom>
<atom id="a33" elementType="C" x3="1.745635" y3="3.735720" z3="-0.185252"></atom>
<atom id="a34" elementType="C" x3="3.736530" y3="1.765115" z3="0.397317"></atom>
<atom id="a35" elementType="N" x3="4.844015" y3="1.893669" z3="0.168604"></atom>
<atom id="a36" elementType="N" x3="1.991273" y3="4.748308" z3="-0.643587"></atom>
<atom id="a37" elementType="O" x3="2.447008" y3="-1.841401" z3="-1.766258"></atom>
<atom id="a38" elementType="O" x3="-3.382388" y3="0.852435" z3="-0.881525"></atom>
<atom id="a39" elementType="C" x3="-4.568106" y3="1.701341" z3="-0.778574"></atom>
<atom id="a40" elementType="H" x3="-5.292167" y3="1.389289" z3="-1.514725"></atom>
<atom id="a41" elementType="H" x3="-4.998147" y3="1.570197" z3="0.203447"></atom>
<atom id="a42" elementType="C" x3="-4.077026" y3="3.125192" z3="-1.001495"></atom>
<atom id="a43" elementType="H" x3="-3.730501" y3="3.245541" z3="-2.019924"></atom>
<atom id="a44" elementType="H" x3="-3.253324" y3="3.333285" z3="-0.334480"></atom>
<atom id="a45" elementType="H" x3="-4.879291" y3="3.830833" z3="-0.819982"></atom>
<atom id="a46" elementType="C" x3="3.807111" y3="-1.486152" z3="-2.187408"></atom>
<atom id="a47" elementType="H" x3="3.988883" y3="-2.057824" z3="-3.082959"></atom>
<atom id="a48" elementType="H" x3="3.833440" y3="-0.432624" z3="-2.405985"></atom>
<atom id="a49" elementType="C" x3="4.773053" y3="-1.859406" z3="-1.066842"></atom>
<atom id="a50" elementType="H" x3="4.719238" y3="-2.921081" z3="-0.862721"></atom>
<atom id="a51" elementType="H" x3="4.530211" y3="-1.318018" z3="-0.164137"></atom>
<atom id="a52" elementType="H" x3="5.786784" y3="-1.611447" z3="-1.358501"></atom>
<atom id="a53" elementType="Cl" x3="-1.940224" y3="0.845378" z3="1.964020"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364469318e+03</scalar>
<scalar title="Time">-4.17353</scalar>
<scalar title="Reaction Coordinate">-14</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.947911" y3="-0.452957" z3="-1.104277"></atom>
<atom id="a1" elementType="C" x3="-2.199688" y3="-2.381353" z3="-0.090607"></atom>
<atom id="a2" elementType="C" x3="0.207268" y3="-2.558280" z3="-0.329181"></atom>
<atom id="a3" elementType="N" x3="-0.998487" y3="-3.025862" z3="0.122707"></atom>
<atom id="a4" elementType="C" x3="0.267558" y3="-1.385894" z3="-0.982353"></atom>
<atom id="a5" elementType="C" x3="-2.225698" y3="-1.181463" z3="-0.683084"></atom>
<atom id="a6" elementType="H" x3="-0.803242" y3="0.339143" z3="-0.395870"></atom>
<atom id="a7" elementType="H" x3="-1.012028" y3="-3.888126" z3="0.619957"></atom>
<atom id="a8" elementType="C" x3="-1.049423" y3="0.271007" z3="-2.467195"></atom>
<atom id="a9" elementType="H" x3="-1.223380" y3="-0.437302" z3="-3.269250"></atom>
<atom id="a10" elementType="H" x3="-0.133376" y3="0.803571" z3="-2.658858"></atom>
<atom id="a11" elementType="H" x3="-1.861728" y3="0.973852" z3="-2.429243"></atom>
<atom id="a12" elementType="C" x3="-3.396591" y3="-3.140425" z3="0.452089"></atom>
<atom id="a13" elementType="H" x3="-3.969839" y3="-2.520586" z3="1.124073"></atom>
<atom id="a14" elementType="H" x3="-3.066180" y3="-4.025868" z3="0.979674"></atom>
<atom id="a15" elementType="H" x3="-4.058585" y3="-3.427380" z3="-0.350238"></atom>
<atom id="a16" elementType="C" x3="1.375786" y3="-3.449442" z3="0.058546"></atom>
<atom id="a17" elementType="H" x3="1.049315" y3="-4.175002" z3="0.792266"></atom>
<atom id="a18" elementType="H" x3="2.167892" y3="-2.861146" z3="0.490634"></atom>
<atom id="a19" elementType="H" x3="1.767535" y3="-3.961452" z3="-0.805393"></atom>
<atom id="a20" elementType="C" x3="1.538815" y3="-0.882648" z3="-1.503197"></atom>
<atom id="a21" elementType="C" x3="-3.516970" y3="-0.484798" z3="-0.749598"></atom>
<atom id="a22" elementType="O" x3="-4.614360" y3="-0.990814" z3="-0.633062"></atom>
<atom id="a23" elementType="O" x3="1.791739" y3="0.294703" z3="-1.687571"></atom>
<atom id="a24" elementType="C" x3="2.022580" y3="0.283770" z3="1.344036"></atom>
<atom id="a25" elementType="C" x3="-0.313866" y3="0.996777" z3="1.460974"></atom>
<atom id="a26" elementType="C" x3="1.438425" y3="2.485443" z3="0.411925"></atom>
<atom id="a27" elementType="C" x3="0.001924" y3="2.249326" z3="0.718563"></atom>
<atom id="a28" elementType="C" x3="2.361259" y3="1.582245" z3="0.694910"></atom>
<atom id="a29" elementType="C" x3="0.614084" y3="0.101774" z3="1.753005"></atom>
<atom id="a30" elementType="O" x3="2.881088" y3="-0.542646" z3="1.550954"></atom>
<atom id="a31" elementType="O" x3="-0.837508" y3="3.057963" z3="0.412566"></atom>
<atom id="a32" elementType="Cl" x3="0.291531" y3="-1.299378" z3="2.688028"></atom>
<atom id="a33" elementType="C" x3="1.745605" y3="3.734978" z3="-0.185161"></atom>
<atom id="a34" elementType="C" x3="3.735411" y3="1.764877" z3="0.398768"></atom>
<atom id="a35" elementType="N" x3="4.842834" y3="1.893735" z3="0.170206"></atom>
<atom id="a36" elementType="N" x3="1.991886" y3="4.748410" z3="-0.641274"></atom>
<atom id="a37" elementType="O" x3="2.445860" y3="-1.841468" z3="-1.765521"></atom>
<atom id="a38" elementType="O" x3="-3.383152" y3="0.852142" z3="-0.881187"></atom>
<atom id="a39" elementType="C" x3="-4.568342" y3="1.701766" z3="-0.777549"></atom>
<atom id="a40" elementType="H" x3="-5.293079" y3="1.390041" z3="-1.513168"></atom>
<atom id="a41" elementType="H" x3="-4.997629" y3="1.570969" z3="0.204845"></atom>
<atom id="a42" elementType="C" x3="-4.076837" y3="3.125619" z3="-1.000838"></atom>
<atom id="a43" elementType="H" x3="-3.732533" y3="3.246512" z3="-2.019966"></atom>
<atom id="a44" elementType="H" x3="-3.251688" y3="3.332913" z3="-0.335375"></atom>
<atom id="a45" elementType="H" x3="-4.878376" y3="3.831524" z3="-0.817153"></atom>
<atom id="a46" elementType="C" x3="3.806075" y3="-1.486856" z3="-2.186668"></atom>
<atom id="a47" elementType="H" x3="3.988071" y3="-2.059401" z3="-3.081602"></atom>
<atom id="a48" elementType="H" x3="3.832651" y3="-0.433555" z3="-2.406217"></atom>
<atom id="a49" elementType="C" x3="4.771181" y3="-1.859303" z3="-1.065168"></atom>
<atom id="a50" elementType="H" x3="4.718498" y3="-2.921103" z3="-0.861408"></atom>
<atom id="a51" elementType="H" x3="4.526752" y3="-1.318517" z3="-0.162547"></atom>
<atom id="a52" elementType="H" x3="5.784937" y3="-1.609959" z3="-1.355528"></atom>
<atom id="a53" elementType="Cl" x3="-1.939411" y3="0.843048" z3="1.959216"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364467854e+03</scalar>
<scalar title="Time">-3.87379</scalar>
<scalar title="Reaction Coordinate">-13</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.947438" y3="-0.452569" z3="-1.098296"></atom>
<atom id="a1" elementType="C" x3="-2.198985" y3="-2.381245" z3="-0.087715"></atom>
<atom id="a2" elementType="C" x3="0.208450" y3="-2.556981" z3="-0.324985"></atom>
<atom id="a3" elementType="N" x3="-0.997035" y3="-3.024435" z3="0.127238"></atom>
<atom id="a4" elementType="C" x3="0.267927" y3="-1.384916" z3="-0.979662"></atom>
<atom id="a5" elementType="C" x3="-2.225263" y3="-1.181993" z3="-0.681732"></atom>
<atom id="a6" elementType="H" x3="-0.803586" y3="0.331945" z3="-0.382076"></atom>
<atom id="a7" elementType="H" x3="-1.010166" y3="-3.885801" z3="0.626119"></atom>
<atom id="a8" elementType="C" x3="-1.045596" y3="0.290904" z3="-2.450686"></atom>
<atom id="a9" elementType="H" x3="-1.223488" y3="-0.403886" z3="-3.263683"></atom>
<atom id="a10" elementType="H" x3="-0.126865" y3="0.821085" z3="-2.634510"></atom>
<atom id="a11" elementType="H" x3="-1.854073" y3="0.996999" z3="-2.401547"></atom>
<atom id="a12" elementType="C" x3="-3.395808" y3="-3.140458" z3="0.455063"></atom>
<atom id="a13" elementType="H" x3="-3.968008" y3="-2.520960" z3="1.128354"></atom>
<atom id="a14" elementType="H" x3="-3.065514" y3="-4.026711" z3="0.981351"></atom>
<atom id="a15" elementType="H" x3="-4.058682" y3="-3.425979" z3="-0.346987"></atom>
<atom id="a16" elementType="C" x3="1.377933" y3="-3.446277" z3="0.064349"></atom>
<atom id="a17" elementType="H" x3="1.051288" y3="-4.174055" z3="0.795752"></atom>
<atom id="a18" elementType="H" x3="2.167240" y3="-2.856618" z3="0.499915"></atom>
<atom id="a19" elementType="H" x3="1.773567" y3="-3.955435" z3="-0.799397"></atom>
<atom id="a20" elementType="C" x3="1.538160" y3="-0.882053" z3="-1.503342"></atom>
<atom id="a21" elementType="C" x3="-3.516464" y3="-0.485058" z3="-0.749508"></atom>
<atom id="a22" elementType="O" x3="-4.613225" y3="-0.992165" z3="-0.633517"></atom>
<atom id="a23" elementType="O" x3="1.791258" y3="0.294822" z3="-1.690713"></atom>
<atom id="a24" elementType="C" x3="2.021851" y3="0.279853" z3="1.338858"></atom>
<atom id="a25" elementType="C" x3="-0.315815" y3="0.988363" z3="1.444976"></atom>
<atom id="a26" elementType="C" x3="1.437219" y3="2.483250" z3="0.408334"></atom>
<atom id="a27" elementType="C" x3="0.000374" y3="2.245346" z3="0.709801"></atom>
<atom id="a28" elementType="C" x3="2.359733" y3="1.580405" z3="0.693250"></atom>
<atom id="a29" elementType="C" x3="0.612213" y3="0.093617" z3="1.739087"></atom>
<atom id="a30" elementType="O" x3="2.883832" y3="-0.541235" z3="1.553478"></atom>
<atom id="a31" elementType="O" x3="-0.837587" y3="3.058647" z3="0.411937"></atom>
<atom id="a32" elementType="Cl" x3="0.290233" y3="-1.299795" z3="2.686513"></atom>
<atom id="a33" elementType="C" x3="1.745630" y3="3.734489" z3="-0.184628"></atom>
<atom id="a34" elementType="C" x3="3.734135" y3="1.764806" z3="0.400735"></atom>
<atom id="a35" elementType="N" x3="4.841346" y3="1.893578" z3="0.171376"></atom>
<atom id="a36" elementType="N" x3="1.992413" y3="4.748426" z3="-0.639358"></atom>
<atom id="a37" elementType="O" x3="2.444660" y3="-1.841296" z3="-1.764786"></atom>
<atom id="a38" elementType="O" x3="-3.383742" y3="0.852053" z3="-0.881192"></atom>
<atom id="a39" elementType="C" x3="-4.568503" y3="1.702336" z3="-0.776678"></atom>
<atom id="a40" elementType="H" x3="-5.293961" y3="1.390956" z3="-1.511727"></atom>
<atom id="a41" elementType="H" x3="-4.996906" y3="1.571768" z3="0.206132"></atom>
<atom id="a42" elementType="C" x3="-4.076605" y3="3.126217" z3="-1.000267"></atom>
<atom id="a43" elementType="H" x3="-3.734473" y3="3.247671" z3="-2.020067"></atom>
<atom id="a44" elementType="H" x3="-3.250047" y3="3.332695" z3="-0.336309"></atom>
<atom id="a45" elementType="H" x3="-4.877420" y3="3.832379" z3="-0.814429"></atom>
<atom id="a46" elementType="C" x3="3.804981" y3="-1.487452" z3="-2.185963"></atom>
<atom id="a47" elementType="H" x3="3.987108" y3="-2.060871" z3="-3.080300"></atom>
<atom id="a48" elementType="H" x3="3.831908" y3="-0.434371" z3="-2.406474"></atom>
<atom id="a49" elementType="C" x3="4.769295" y3="-1.859193" z3="-1.063593"></atom>
<atom id="a50" elementType="H" x3="4.717950" y3="-2.921173" z3="-0.860415"></atom>
<atom id="a51" elementType="H" x3="4.523191" y3="-1.319231" z3="-0.160956"></atom>
<atom id="a52" elementType="H" x3="5.783025" y3="-1.608213" z3="-1.352605"></atom>
<atom id="a53" elementType="Cl" x3="-1.938423" y3="0.841075" z3="1.954955"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364466260e+03</scalar>
<scalar title="Time">-3.57407</scalar>
<scalar title="Reaction Coordinate">-12</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.946953" y3="-0.452936" z3="-1.092573"></atom>
<atom id="a1" elementType="C" x3="-2.198357" y3="-2.381245" z3="-0.084794"></atom>
<atom id="a2" elementType="C" x3="0.209565" y3="-2.555939" z3="-0.320964"></atom>
<atom id="a3" elementType="N" x3="-0.995693" y3="-3.023339" z3="0.131359"></atom>
<atom id="a4" elementType="C" x3="0.268328" y3="-1.384111" z3="-0.976959"></atom>
<atom id="a5" elementType="C" x3="-2.224709" y3="-1.182579" z3="-0.680172"></atom>
<atom id="a6" elementType="H" x3="-0.803985" y3="0.324273" z3="-0.368940"></atom>
<atom id="a7" elementType="H" x3="-1.008440" y3="-3.883920" z3="0.631689"></atom>
<atom id="a8" elementType="C" x3="-1.041874" y3="0.309463" z3="-2.434179"></atom>
<atom id="a9" elementType="H" x3="-1.223551" y3="-0.371862" z3="-3.257739"></atom>
<atom id="a10" elementType="H" x3="-0.120711" y3="0.837300" z3="-2.610568"></atom>
<atom id="a11" elementType="H" x3="-1.846660" y3="1.018405" z3="-2.374168"></atom>
<atom id="a12" elementType="C" x3="-3.395179" y3="-3.140507" z3="0.457833"></atom>
<atom id="a13" elementType="H" x3="-3.966455" y3="-2.521366" z3="1.132323"></atom>
<atom id="a14" elementType="H" x3="-3.065162" y3="-4.027623" z3="0.982828"></atom>
<atom id="a15" elementType="H" x3="-4.058760" y3="-3.424498" z3="-0.344122"></atom>
<atom id="a16" elementType="C" x3="1.379987" y3="-3.443309" z3="0.069768"></atom>
<atom id="a17" elementType="H" x3="1.053303" y3="-4.173480" z3="0.798727"></atom>
<atom id="a18" elementType="H" x3="2.166461" y3="-2.852309" z3="0.508857"></atom>
<atom id="a19" elementType="H" x3="1.779482" y3="-3.949390" z3="-0.793905"></atom>
<atom id="a20" elementType="C" x3="1.537461" y3="-0.881262" z3="-1.503449"></atom>
<atom id="a21" elementType="C" x3="-3.515630" y3="-0.485071" z3="-0.749388"></atom>
<atom id="a22" elementType="O" x3="-4.611657" y3="-0.993434" z3="-0.633964"></atom>
<atom id="a23" elementType="O" x3="1.790592" y3="0.295135" z3="-1.693836"></atom>
<atom id="a24" elementType="C" x3="2.021154" y3="0.275901" z3="1.333908"></atom>
<atom id="a25" elementType="C" x3="-0.318175" y3="0.979079" z3="1.427215"></atom>
<atom id="a26" elementType="C" x3="1.436023" y3="2.481400" z3="0.405373"></atom>
<atom id="a27" elementType="C" x3="-0.001375" y3="2.241360" z3="0.700548"></atom>
<atom id="a28" elementType="C" x3="2.358157" y3="1.578915" z3="0.692454"></atom>
<atom id="a29" elementType="C" x3="0.610210" y3="0.084914" z3="1.724328"></atom>
<atom id="a30" elementType="O" x3="2.886760" y3="-0.539663" z3="1.556040"></atom>
<atom id="a31" elementType="O" x3="-0.837509" y3="3.059972" z3="0.411917"></atom>
<atom id="a32" elementType="Cl" x3="0.289027" y3="-1.300038" z3="2.685420"></atom>
<atom id="a33" elementType="C" x3="1.745738" y3="3.734284" z3="-0.183650"></atom>
<atom id="a34" elementType="C" x3="3.732726" y3="1.764843" z3="0.403089"></atom>
<atom id="a35" elementType="N" x3="4.839584" y3="1.893218" z3="0.172140"></atom>
<atom id="a36" elementType="N" x3="1.992851" y3="4.748375" z3="-0.637885"></atom>
<atom id="a37" elementType="O" x3="2.443401" y3="-1.840893" z3="-1.764072"></atom>
<atom id="a38" elementType="O" x3="-3.384204" y3="0.852193" z3="-0.881523"></atom>
<atom id="a39" elementType="C" x3="-4.568655" y3="1.703044" z3="-0.775939"></atom>
<atom id="a40" elementType="H" x3="-5.294860" y3="1.392021" z3="-1.510388"></atom>
<atom id="a41" elementType="H" x3="-4.996047" y3="1.572592" z3="0.207315"></atom>
<atom id="a42" elementType="C" x3="-4.076343" y3="3.126951" z3="-0.999772"></atom>
<atom id="a43" elementType="H" x3="-3.736293" y3="3.248939" z3="-2.020209"></atom>
<atom id="a44" elementType="H" x3="-3.248422" y3="3.332571" z3="-0.337252"></atom>
<atom id="a45" elementType="H" x3="-4.876403" y3="3.833411" z3="-0.811842"></atom>
<atom id="a46" elementType="C" x3="3.803840" y3="-1.487978" z3="-2.185293"></atom>
<atom id="a47" elementType="H" x3="3.985999" y3="-2.062291" z3="-3.079040"></atom>
<atom id="a48" elementType="H" x3="3.831232" y3="-0.435126" z3="-2.406764"></atom>
<atom id="a49" elementType="C" x3="4.767426" y3="-1.859087" z3="-1.062122"></atom>
<atom id="a50" elementType="H" x3="4.717646" y3="-2.921291" z3="-0.859715"></atom>
<atom id="a51" elementType="H" x3="4.519576" y3="-1.320145" z3="-0.159370"></atom>
<atom id="a52" elementType="H" x3="5.781070" y3="-1.606208" z3="-1.349767"></atom>
<atom id="a53" elementType="Cl" x3="-1.937322" y3="0.839470" z3="1.951307"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364464510e+03</scalar>
<scalar title="Time">-3.27438</scalar>
<scalar title="Reaction Coordinate">-11</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.946447" y3="-0.454147" z3="-1.087161"></atom>
<atom id="a1" elementType="C" x3="-2.197805" y3="-2.381283" z3="-0.081847"></atom>
<atom id="a2" elementType="C" x3="0.210586" y3="-2.555100" z3="-0.317137"></atom>
<atom id="a3" elementType="N" x3="-0.994481" y3="-3.022514" z3="0.135022"></atom>
<atom id="a4" elementType="C" x3="0.268767" y3="-1.383482" z3="-0.974313"></atom>
<atom id="a5" elementType="C" x3="-2.224036" y3="-1.183182" z3="-0.678398"></atom>
<atom id="a6" elementType="H" x3="-0.804321" y3="0.316159" z3="-0.356464"></atom>
<atom id="a7" elementType="H" x3="-1.006893" y3="-3.882478" z3="0.636479"></atom>
<atom id="a8" elementType="C" x3="-1.038285" y3="0.326441" z3="-2.417766"></atom>
<atom id="a9" elementType="H" x3="-1.223538" y3="-0.341560" z3="-3.251446"></atom>
<atom id="a10" elementType="H" x3="-0.114788" y3="0.851990" z3="-2.586920"></atom>
<atom id="a11" elementType="H" x3="-1.839519" y3="1.037922" z3="-2.346981"></atom>
<atom id="a12" elementType="C" x3="-3.394660" y3="-3.140514" z3="0.460343"></atom>
<atom id="a13" elementType="H" x3="-3.965189" y3="-2.521799" z3="1.135929"></atom>
<atom id="a14" elementType="H" x3="-3.065073" y3="-4.028557" z3="0.984029"></atom>
<atom id="a15" elementType="H" x3="-4.058740" y3="-3.422884" z3="-0.341725"></atom>
<atom id="a16" elementType="C" x3="1.381862" y3="-3.440481" z3="0.074737"></atom>
<atom id="a17" elementType="H" x3="1.055305" y3="-4.173154" z3="0.801191"></atom>
<atom id="a18" elementType="H" x3="2.165547" y3="-2.848195" z3="0.517290"></atom>
<atom id="a19" elementType="H" x3="1.785072" y3="-3.943329" z3="-0.788996"></atom>
<atom id="a20" elementType="C" x3="1.536739" y3="-0.880290" z3="-1.503517"></atom>
<atom id="a21" elementType="C" x3="-3.514462" y3="-0.484813" z3="-0.749226"></atom>
<atom id="a22" elementType="O" x3="-4.609636" y3="-0.994646" z3="-0.634417"></atom>
<atom id="a23" elementType="O" x3="1.789802" y3="0.295664" z3="-1.696937"></atom>
<atom id="a24" elementType="C" x3="2.020579" y3="0.272031" z3="1.329501"></atom>
<atom id="a25" elementType="C" x3="-0.321017" y3="0.968827" z3="1.407520"></atom>
<atom id="a26" elementType="C" x3="1.434861" y3="2.479955" z3="0.403154"></atom>
<atom id="a27" elementType="C" x3="-0.003370" y3="2.237381" z3="0.690725"></atom>
<atom id="a28" elementType="C" x3="2.356567" y3="1.577773" z3="0.692561"></atom>
<atom id="a29" elementType="C" x3="0.608155" y3="0.075923" z3="1.709131"></atom>
<atom id="a30" elementType="O" x3="2.889903" y3="-0.538036" z3="1.558513"></atom>
<atom id="a31" elementType="O" x3="-0.837289" y3="3.062000" z3="0.412489"></atom>
<atom id="a32" elementType="Cl" x3="0.287931" y3="-1.300173" z3="2.684741"></atom>
<atom id="a33" elementType="C" x3="1.745970" y3="3.734393" z3="-0.182246"></atom>
<atom id="a34" elementType="C" x3="3.731194" y3="1.764877" z3="0.405611"></atom>
<atom id="a35" elementType="N" x3="4.837615" y3="1.892702" z3="0.172553"></atom>
<atom id="a36" elementType="N" x3="1.993197" y3="4.748299" z3="-0.636900"></atom>
<atom id="a37" elementType="O" x3="2.442077" y3="-1.840275" z3="-1.763393"></atom>
<atom id="a38" elementType="O" x3="-3.384576" y3="0.852577" z3="-0.882160"></atom>
<atom id="a39" elementType="C" x3="-4.568850" y3="1.703876" z3="-0.775316"></atom>
<atom id="a40" elementType="H" x3="-5.295831" y3="1.393213" z3="-1.509136"></atom>
<atom id="a41" elementType="H" x3="-4.995095" y3="1.573423" z3="0.208428"></atom>
<atom id="a42" elementType="C" x3="-4.076057" y3="3.127777" z3="-0.999348"></atom>
<atom id="a43" elementType="H" x3="-3.737962" y3="3.250226" z3="-2.020386"></atom>
<atom id="a44" elementType="H" x3="-3.246815" y3="3.332463" z3="-0.338188"></atom>
<atom id="a45" elementType="H" x3="-4.875299" y3="3.834625" z3="-0.809424"></atom>
<atom id="a46" elementType="C" x3="3.802658" y3="-1.488470" z3="-2.184646"></atom>
<atom id="a47" elementType="H" x3="3.984752" y3="-2.063701" z3="-3.077804"></atom>
<atom id="a48" elementType="H" x3="3.830632" y3="-0.435842" z3="-2.407103"></atom>
<atom id="a49" elementType="C" x3="4.765614" y3="-1.858991" z3="-1.060755"></atom>
<atom id="a50" elementType="H" x3="4.717624" y3="-2.921455" z3="-0.859271"></atom>
<atom id="a51" elementType="H" x3="4.515981" y3="-1.321238" z3="-0.157805"></atom>
<atom id="a52" elementType="H" x3="5.779090" y3="-1.603977" z3="-1.347078"></atom>
<atom id="a53" elementType="Cl" x3="-1.936197" y3="0.838243" z3="1.948352"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364462576e+03</scalar>
<scalar title="Time">-2.97473</scalar>
<scalar title="Reaction Coordinate">-10</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.945905" y3="-0.456341" z3="-1.082124"></atom>
<atom id="a1" elementType="C" x3="-2.197322" y3="-2.381283" z3="-0.078874"></atom>
<atom id="a2" elementType="C" x3="0.211484" y3="-2.554390" z3="-0.313487"></atom>
<atom id="a3" elementType="N" x3="-0.993426" y3="-3.021877" z3="0.138150"></atom>
<atom id="a4" elementType="C" x3="0.269240" y3="-1.383029" z3="-0.971781"></atom>
<atom id="a5" elementType="C" x3="-2.223257" y3="-1.183745" z3="-0.676405"></atom>
<atom id="a6" elementType="H" x3="-0.804585" y3="0.307405" z3="-0.344595"></atom>
<atom id="a7" elementType="H" x3="-1.005539" y3="-3.881370" z3="0.640518"></atom>
<atom id="a8" elementType="C" x3="-1.034834" y3="0.341667" z3="-2.401489"></atom>
<atom id="a9" elementType="H" x3="-1.223404" y3="-0.313216" z3="-3.244844"></atom>
<atom id="a10" elementType="H" x3="-0.109262" y3="0.865076" z3="-2.563775"></atom>
<atom id="a11" elementType="H" x3="-1.832746" y3="1.055252" z3="-2.320323"></atom>
<atom id="a12" elementType="C" x3="-3.394179" y3="-3.140418" z3="0.462538"></atom>
<atom id="a13" elementType="H" x3="-3.964180" y3="-2.522243" z3="1.139122"></atom>
<atom id="a14" elementType="H" x3="-3.065154" y3="-4.029460" z3="0.984869"></atom>
<atom id="a15" elementType="H" x3="-4.058514" y3="-3.421065" z3="-0.339883"></atom>
<atom id="a16" elementType="C" x3="1.383458" y3="-3.437718" z3="0.079203"></atom>
<atom id="a17" elementType="H" x3="1.057223" y3="-4.172992" z3="0.803122"></atom>
<atom id="a18" elementType="H" x3="2.164499" y3="-2.844254" z3="0.525048"></atom>
<atom id="a19" elementType="H" x3="1.790106" y3="-3.937207" z3="-0.784776"></atom>
<atom id="a20" elementType="C" x3="1.536026" y3="-0.879109" z3="-1.503550"></atom>
<atom id="a21" elementType="C" x3="-3.512991" y3="-0.484271" z3="-0.749003"></atom>
<atom id="a22" elementType="O" x3="-4.607176" y3="-0.995822" z3="-0.634886"></atom>
<atom id="a23" elementType="O" x3="1.788946" y3="0.296382" z3="-1.699998"></atom>
<atom id="a24" elementType="C" x3="2.020255" y3="0.268386" z3="1.326024"></atom>
<atom id="a25" elementType="C" x3="-0.324471" y3="0.957545" z3="1.385629"></atom>
<atom id="a26" elementType="C" x3="1.433789" y3="2.478971" z3="0.401784"></atom>
<atom id="a27" elementType="C" x3="-0.005634" y3="2.233549" z3="0.680378"></atom>
<atom id="a28" elementType="C" x3="2.354998" y3="1.576952" z3="0.693494"></atom>
<atom id="a29" elementType="C" x3="0.606198" y3="0.067001" z3="1.694080"></atom>
<atom id="a30" elementType="O" x3="2.893303" y3="-0.536507" z3="1.560748"></atom>
<atom id="a31" elementType="O" x3="-0.836961" y3="3.064717" z3="0.413581"></atom>
<atom id="a32" elementType="Cl" x3="0.286951" y3="-1.300291" z3="2.684438"></atom>
<atom id="a33" elementType="C" x3="1.746338" y3="3.734818" z3="-0.180508"></atom>
<atom id="a34" elementType="C" x3="3.729571" y3="1.764763" z3="0.408011"></atom>
<atom id="a35" elementType="N" x3="4.835511" y3="1.892102" z3="0.172737"></atom>
<atom id="a36" elementType="N" x3="1.993459" y3="4.748243" z3="-0.636394"></atom>
<atom id="a37" elementType="O" x3="2.440678" y3="-1.839478" z3="-1.762766"></atom>
<atom id="a38" elementType="O" x3="-3.384896" y3="0.853191" z3="-0.883065"></atom>
<atom id="a39" elementType="C" x3="-4.569127" y3="1.704803" z3="-0.774790"></atom>
<atom id="a40" elementType="H" x3="-5.296895" y3="1.394500" z3="-1.507963"></atom>
<atom id="a41" elementType="H" x3="-4.994101" y3="1.574248" z3="0.209469"></atom>
<atom id="a42" elementType="C" x3="-4.075748" y3="3.128644" z3="-0.998986"></atom>
<atom id="a43" elementType="H" x3="-3.739451" y3="3.251454" z3="-2.020578"></atom>
<atom id="a44" elementType="H" x3="-3.245250" y3="3.332310" z3="-0.339090"></atom>
<atom id="a45" elementType="H" x3="-4.874098" y3="3.835988" z3="-0.807203"></atom>
<atom id="a46" elementType="C" x3="3.801447" y3="-1.488947" z3="-2.184013"></atom>
<atom id="a47" elementType="H" x3="3.983381" y3="-2.065113" z3="-3.076591"></atom>
<atom id="a48" elementType="H" x3="3.830098" y3="-0.436556" z3="-2.407463"></atom>
<atom id="a49" elementType="C" x3="4.763893" y3="-1.858909" z3="-1.059494"></atom>
<atom id="a50" elementType="H" x3="4.717912" y3="-2.921660" z3="-0.859041"></atom>
<atom id="a51" elementType="H" x3="4.512493" y3="-1.322468" z3="-0.156277"></atom>
<atom id="a52" elementType="H" x3="5.777124" y3="-1.601557" z3="-1.344586"></atom>
<atom id="a53" elementType="Cl" x3="-1.935148" y3="0.837393" z3="1.946154"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364460422e+03</scalar>
<scalar title="Time">-2.67515</scalar>
<scalar title="Reaction Coordinate">-9</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.945321" y3="-0.459607" z3="-1.077565"></atom>
<atom id="a1" elementType="C" x3="-2.196886" y3="-2.381151" z3="-0.075893"></atom>
<atom id="a2" elementType="C" x3="0.212230" y3="-2.553703" z3="-0.309990"></atom>
<atom id="a3" elementType="N" x3="-0.992549" y3="-3.021349" z3="0.140666"></atom>
<atom id="a4" elementType="C" x3="0.269741" y3="-1.382740" z3="-0.969407"></atom>
<atom id="a5" elementType="C" x3="-2.222381" y3="-1.184210" z3="-0.674194"></atom>
<atom id="a6" elementType="H" x3="-0.804624" y3="0.298132" z3="-0.333368"></atom>
<atom id="a7" elementType="H" x3="-1.004395" y3="-3.880453" z3="0.643806"></atom>
<atom id="a8" elementType="C" x3="-1.031546" y3="0.354979" z3="-2.385484"></atom>
<atom id="a9" elementType="H" x3="-1.223133" y3="-0.287194" z3="-3.237943"></atom>
<atom id="a10" elementType="H" x3="-0.104088" y3="0.876439" z3="-2.541228"></atom>
<atom id="a11" elementType="H" x3="-1.826414" y3="1.070254" z3="-2.294254"></atom>
<atom id="a12" elementType="C" x3="-3.393645" y3="-3.140153" z3="0.464369"></atom>
<atom id="a13" elementType="H" x3="-3.963387" y3="-2.522692" z3="1.141866"></atom>
<atom id="a14" elementType="H" x3="-3.065282" y3="-4.030269" z3="0.985272"></atom>
<atom id="a15" elementType="H" x3="-4.057967" y3="-3.418994" z3="-0.338657"></atom>
<atom id="a16" elementType="C" x3="1.384678" y3="-3.434948" z3="0.083113"></atom>
<atom id="a17" elementType="H" x3="1.058976" y3="-4.172902" z3="0.804487"></atom>
<atom id="a18" elementType="H" x3="2.163319" y3="-2.840476" z3="0.532020"></atom>
<atom id="a19" elementType="H" x3="1.794352" y3="-3.930979" z3="-0.781344"></atom>
<atom id="a20" elementType="C" x3="1.535330" y3="-0.877765" z3="-1.503522"></atom>
<atom id="a21" elementType="C" x3="-3.511264" y3="-0.483452" z3="-0.748701"></atom>
<atom id="a22" elementType="O" x3="-4.604334" y3="-0.996977" z3="-0.635378"></atom>
<atom id="a23" elementType="O" x3="1.788081" y3="0.297278" z3="-1.702999"></atom>
<atom id="a24" elementType="C" x3="2.020277" y3="0.265094" z3="1.323850"></atom>
<atom id="a25" elementType="C" x3="-0.328570" y3="0.945149" z3="1.361243"></atom>
<atom id="a26" elementType="C" x3="1.432840" y3="2.478511" z3="0.401377"></atom>
<atom id="a27" elementType="C" x3="-0.008137" y3="2.230005" z3="0.669681"></atom>
<atom id="a28" elementType="C" x3="2.353477" y3="1.576348" z3="0.695078"></atom>
<atom id="a29" elementType="C" x3="0.604516" y3="0.058658" z3="1.679904"></atom>
<atom id="a30" elementType="O" x3="2.896992" y3="-0.535234" z3="1.562598"></atom>
<atom id="a31" elementType="O" x3="-0.836581" y3="3.068078" z3="0.415107"></atom>
<atom id="a32" elementType="Cl" x3="0.286095" y3="-1.300487" z3="2.684457"></atom>
<atom id="a33" elementType="C" x3="1.746837" y3="3.735527" z3="-0.178601"></atom>
<atom id="a34" elementType="C" x3="3.727872" y3="1.764361" z3="0.410016"></atom>
<atom id="a35" elementType="N" x3="4.833368" y3="1.891500" z3="0.172815"></atom>
<atom id="a36" elementType="N" x3="1.993650" y3="4.748271" z3="-0.636323"></atom>
<atom id="a37" elementType="O" x3="2.439193" y3="-1.838550" z3="-1.762205"></atom>
<atom id="a38" elementType="O" x3="-3.385199" y3="0.854003" z3="-0.884192"></atom>
<atom id="a39" elementType="C" x3="-4.569495" y3="1.705791" z3="-0.774351"></atom>
<atom id="a40" elementType="H" x3="-5.298054" y3="1.395839" z3="-1.506866"></atom>
<atom id="a41" elementType="H" x3="-4.993088" y3="1.575043" z3="0.210458"></atom>
<atom id="a42" elementType="C" x3="-4.075419" y3="3.129496" z3="-0.998681"></atom>
<atom id="a43" elementType="H" x3="-3.740742" y3="3.252562" z3="-2.020780"></atom>
<atom id="a44" elementType="H" x3="-3.243731" y3="3.332063" z3="-0.339936"></atom>
<atom id="a45" elementType="H" x3="-4.872807" y3="3.837445" z3="-0.805192"></atom>
<atom id="a46" elementType="C" x3="3.800230" y3="-1.489422" z3="-2.183390"></atom>
<atom id="a47" elementType="H" x3="3.981911" y3="-2.066509" z3="-3.075416"></atom>
<atom id="a48" elementType="H" x3="3.829620" y3="-0.437258" z3="-2.407822"></atom>
<atom id="a49" elementType="C" x3="4.762307" y3="-1.858840" z3="-1.058336"></atom>
<atom id="a50" elementType="H" x3="4.718498" y3="-2.921892" z3="-0.858971"></atom>
<atom id="a51" elementType="H" x3="4.509173" y3="-1.323787" z3="-0.154797"></atom>
<atom id="a52" elementType="H" x3="5.775216" y3="-1.599008" z3="-1.342316"></atom>
<atom id="a53" elementType="Cl" x3="-1.934296" y3="0.836908" z3="1.944777"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364458003e+03</scalar>
<scalar title="Time">-2.37568</scalar>
<scalar title="Reaction Coordinate">-8</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.944677" y3="-0.464050" z3="-1.073617"></atom>
<atom id="a1" elementType="C" x3="-2.196467" y3="-2.380817" z3="-0.072930"></atom>
<atom id="a2" elementType="C" x3="0.212794" y3="-2.552953" z3="-0.306598"></atom>
<atom id="a3" elementType="N" x3="-0.991864" y3="-3.020846" z3="0.142484"></atom>
<atom id="a4" elementType="C" x3="0.270219" y3="-1.382559" z3="-0.967218"></atom>
<atom id="a5" elementType="C" x3="-2.221407" y3="-1.184489" z3="-0.671768"></atom>
<atom id="a6" elementType="H" x3="-0.804346" y3="0.288228" z3="-0.322801"></atom>
<atom id="a7" elementType="H" x3="-1.003472" y3="-3.879554" z3="0.646360"></atom>
<atom id="a8" elementType="C" x3="-1.028442" y3="0.366299" z3="-2.369949"></atom>
<atom id="a9" elementType="H" x3="-1.222771" y3="-0.263735" z3="-3.230915"></atom>
<atom id="a10" elementType="H" x3="-0.099384" y3="0.886015" z3="-2.519629"></atom>
<atom id="a11" elementType="H" x3="-1.820602" y3="1.082764" z3="-2.269144"></atom>
<atom id="a12" elementType="C" x3="-3.392975" y3="-3.139680" z3="0.465797"></atom>
<atom id="a13" elementType="H" x3="-3.962734" y3="-2.523127" z3="1.144125"></atom>
<atom id="a14" elementType="H" x3="-3.065342" y3="-4.030932" z3="0.985194"></atom>
<atom id="a15" elementType="H" x3="-4.057007" y3="-3.416648" z3="-0.338088"></atom>
<atom id="a16" elementType="C" x3="1.385447" y3="-3.432130" z3="0.086428"></atom>
<atom id="a17" elementType="H" x3="1.060494" y3="-4.172824" z3="0.805270"></atom>
<atom id="a18" elementType="H" x3="2.162005" y3="-2.836893" z3="0.538068"></atom>
<atom id="a19" elementType="H" x3="1.797584" y3="-3.924631" z3="-0.778802"></atom>
<atom id="a20" elementType="C" x3="1.534677" y3="-0.876267" z3="-1.503409"></atom>
<atom id="a21" elementType="C" x3="-3.509374" y3="-0.482374" z3="-0.748317"></atom>
<atom id="a22" elementType="O" x3="-4.601217" y3="-0.998108" z3="-0.635889"></atom>
<atom id="a23" elementType="O" x3="1.787251" y3="0.298297" z3="-1.705898"></atom>
<atom id="a24" elementType="C" x3="2.020702" y3="0.262249" z3="1.323276"></atom>
<atom id="a25" elementType="C" x3="-0.333324" y3="0.931580" z3="1.334112"></atom>
<atom id="a26" elementType="C" x3="1.432076" y3="2.478614" z3="0.401968"></atom>
<atom id="a27" elementType="C" x3="-0.010753" y3="2.227067" z3="0.659108"></atom>
<atom id="a28" elementType="C" x3="2.352011" y3="1.575829" z3="0.696998"></atom>
<atom id="a29" elementType="C" x3="0.603360" y3="0.051472" z3="1.667436"></atom>
<atom id="a30" elementType="O" x3="2.900967" y3="-0.534370" z3="1.563940"></atom>
<atom id="a31" elementType="O" x3="-0.836223" y3="3.071928" z3="0.416904"></atom>
<atom id="a32" elementType="Cl" x3="0.285360" y3="-1.300845" z3="2.684716"></atom>
<atom id="a33" elementType="C" x3="1.747404" y3="3.736442" z3="-0.176759"></atom>
<atom id="a34" elementType="C" x3="3.726146" y3="1.763583" z3="0.411459"></atom>
<atom id="a35" elementType="N" x3="4.831266" y3="1.890968" z3="0.172903"></atom>
<atom id="a36" elementType="N" x3="1.993791" y3="4.748426" z3="-0.636586"></atom>
<atom id="a37" elementType="O" x3="2.437607" y3="-1.837562" z3="-1.761719"></atom>
<atom id="a38" elementType="O" x3="-3.385508" y3="0.854943" z3="-0.885475"></atom>
<atom id="a39" elementType="C" x3="-4.569941" y3="1.706800" z3="-0.773988"></atom>
<atom id="a40" elementType="H" x3="-5.299275" y3="1.397183" z3="-1.505848"></atom>
<atom id="a41" elementType="H" x3="-4.992073" y3="1.575786" z3="0.211384"></atom>
<atom id="a42" elementType="C" x3="-4.075070" y3="3.130283" z3="-0.998426"></atom>
<atom id="a43" elementType="H" x3="-3.741832" y3="3.253522" z3="-2.020977"></atom>
<atom id="a44" elementType="H" x3="-3.242293" y3="3.331705" z3="-0.340707"></atom>
<atom id="a45" elementType="H" x3="-4.871470" y3="3.838903" z3="-0.803401"></atom>
<atom id="a46" elementType="C" x3="3.799062" y3="-1.489887" z3="-2.182796"></atom>
<atom id="a47" elementType="H" x3="3.980391" y3="-2.067839" z3="-3.074320"></atom>
<atom id="a48" elementType="H" x3="3.829189" y3="-0.437941" z3="-2.408135"></atom>
<atom id="a49" elementType="C" x3="4.760899" y3="-1.858782" z3="-1.057281"></atom>
<atom id="a50" elementType="H" x3="4.719339" y3="-2.922134" z3="-0.859002"></atom>
<atom id="a51" elementType="H" x3="4.506080" y3="-1.325134" z3="-0.153424"></atom>
<atom id="a52" elementType="H" x3="5.773441" y3="-1.596425" z3="-1.340262"></atom>
<atom id="a53" elementType="Cl" x3="-1.933755" y3="0.836775" z3="1.944269"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364455254e+03</scalar>
<scalar title="Time">-2.07637</scalar>
<scalar title="Reaction Coordinate">-7</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.943966" y3="-0.469724" z3="-1.070459"></atom>
<atom id="a1" elementType="C" x3="-2.195997" y3="-2.380223" z3="-0.070045"></atom>
<atom id="a2" elementType="C" x3="0.213126" y3="-2.552034" z3="-0.303282"></atom>
<atom id="a3" elementType="N" x3="-0.991370" y3="-3.020295" z3="0.143546"></atom>
<atom id="a4" elementType="C" x3="0.270580" y3="-1.382411" z3="-0.965197"></atom>
<atom id="a5" elementType="C" x3="-2.220298" y3="-1.184499" z3="-0.669143"></atom>
<atom id="a6" elementType="H" x3="-0.803596" y3="0.277896" z3="-0.312297"></atom>
<atom id="a7" elementType="H" x3="-1.002744" y3="-3.878521" z3="0.648360"></atom>
<atom id="a8" elementType="C" x3="-1.025552" y3="0.375656" z3="-2.355162"></atom>
<atom id="a9" elementType="H" x3="-1.222358" y3="-0.243245" z3="-3.223708"></atom>
<atom id="a10" elementType="H" x3="-0.095146" y3="0.893836" z3="-2.499504"></atom>
<atom id="a11" elementType="H" x3="-1.815490" y3="1.092774" z3="-2.245471"></atom>
<atom id="a12" elementType="C" x3="-3.392120" y3="-3.139001" z3="0.466813"></atom>
<atom id="a13" elementType="H" x3="-3.962137" y3="-2.523500" z3="1.145884"></atom>
<atom id="a14" elementType="H" x3="-3.065264" y3="-4.031423" z3="0.984662"></atom>
<atom id="a15" elementType="H" x3="-4.055624" y3="-3.414058" z3="-0.338141"></atom>
<atom id="a16" elementType="C" x3="1.385740" y3="-3.429279" z3="0.089129"></atom>
<atom id="a17" elementType="H" x3="1.061738" y3="-4.172723" z3="0.805498"></atom>
<atom id="a18" elementType="H" x3="2.160598" y3="-2.833505" z3="0.543140"></atom>
<atom id="a19" elementType="H" x3="1.799726" y3="-3.918211" z3="-0.777178"></atom>
<atom id="a20" elementType="C" x3="1.534047" y3="-0.874666" z3="-1.503171"></atom>
<atom id="a21" elementType="C" x3="-3.507433" y3="-0.481080" z3="-0.747879"></atom>
<atom id="a22" elementType="O" x3="-4.597977" y3="-0.999200" z3="-0.636404"></atom>
<atom id="a23" elementType="O" x3="1.786500" y3="0.299384" z3="-1.708644"></atom>
<atom id="a24" elementType="C" x3="2.021431" y3="0.259817" z3="1.324368"></atom>
<atom id="a25" elementType="C" x3="-0.338548" y3="0.916932" z3="1.304119"></atom>
<atom id="a26" elementType="C" x3="1.431502" y3="2.479243" z3="0.403453"></atom>
<atom id="a27" elementType="C" x3="-0.013252" y3="2.225144" z3="0.649529"></atom>
<atom id="a28" elementType="C" x3="2.350550" y3="1.575196" z3="0.698858"></atom>
<atom id="a29" elementType="C" x3="0.603001" y3="0.046044" z3="1.657457"></atom>
<atom id="a30" elementType="O" x3="2.905181" y3="-0.534003" z3="1.564714"></atom>
<atom id="a31" elementType="O" x3="-0.835973" y3="3.076025" z3="0.418726"></atom>
<atom id="a32" elementType="Cl" x3="0.284748" y3="-1.301430" z3="2.685128"></atom>
<atom id="a33" elementType="C" x3="1.747947" y3="3.737445" z3="-0.175240"></atom>
<atom id="a34" elementType="C" x3="3.724461" y3="1.762460" z3="0.412356"></atom>
<atom id="a35" elementType="N" x3="4.829301" y3="1.890550" z3="0.173055"></atom>
<atom id="a36" elementType="N" x3="1.993908" y3="4.748732" z3="-0.637047"></atom>
<atom id="a37" elementType="O" x3="2.435897" y3="-1.836604" z3="-1.761299"></atom>
<atom id="a38" elementType="O" x3="-3.385841" y3="0.855914" z3="-0.886828"></atom>
<atom id="a39" elementType="C" x3="-4.570428" y3="1.707791" z3="-0.773695"></atom>
<atom id="a40" elementType="H" x3="-5.300494" y3="1.398473" z3="-1.504926"></atom>
<atom id="a41" elementType="H" x3="-4.991054" y3="1.576458" z3="0.212240"></atom>
<atom id="a42" elementType="C" x3="-4.074709" y3="3.130956" z3="-0.998216"></atom>
<atom id="a43" elementType="H" x3="-3.742734" y3="3.254331" z3="-2.021164"></atom>
<atom id="a44" elementType="H" x3="-3.240962" y3="3.331248" z3="-0.341377"></atom>
<atom id="a45" elementType="H" x3="-4.870163" y3="3.840242" z3="-0.801831"></atom>
<atom id="a46" elementType="C" x3="3.798048" y3="-1.490323" z3="-2.182262"></atom>
<atom id="a47" elementType="H" x3="3.978894" y3="-2.069033" z3="-3.073376"></atom>
<atom id="a48" elementType="H" x3="3.828820" y3="-0.438562" z3="-2.408354"></atom>
<atom id="a49" elementType="C" x3="4.759711" y3="-1.858733" z3="-1.056335"></atom>
<atom id="a50" elementType="H" x3="4.720347" y3="-2.922363" z3="-0.859077"></atom>
<atom id="a51" elementType="H" x3="4.503217" y3="-1.326413" z3="-0.152196"></atom>
<atom id="a52" elementType="H" x3="5.771882" y3="-1.593918" z3="-1.338364"></atom>
<atom id="a53" elementType="Cl" x3="-1.933624" y3="0.836959" z3="1.944626"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364452086e+03</scalar>
<scalar title="Time">-1.77722</scalar>
<scalar title="Reaction Coordinate">-6</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.943187" y3="-0.476702" z3="-1.068249"></atom>
<atom id="a1" elementType="C" x3="-2.195358" y3="-2.379348" z3="-0.067318"></atom>
<atom id="a2" elementType="C" x3="0.213131" y3="-2.550864" z3="-0.300034"></atom>
<atom id="a3" elementType="N" x3="-0.991045" y3="-3.019637" z3="0.143842"></atom>
<atom id="a4" elementType="C" x3="0.270580" y3="-1.382091" z3="-0.963270"></atom>
<atom id="a5" elementType="C" x3="-2.218898" y3="-1.184116" z3="-0.666347"></atom>
<atom id="a6" elementType="H" x3="-0.802145" y3="0.266470" z3="-0.301959"></atom>
<atom id="a7" elementType="H" x3="-1.002168" y3="-3.877128" z3="0.649943"></atom>
<atom id="a8" elementType="C" x3="-1.022906" y3="0.383275" z3="-2.341439"></atom>
<atom id="a9" elementType="H" x3="-1.221936" y3="-0.226384" z3="-3.216192"></atom>
<atom id="a10" elementType="H" x3="-0.091422" y3="0.899959" z3="-2.481626"></atom>
<atom id="a11" elementType="H" x3="-1.811257" y3="1.100379" z3="-2.224035"></atom>
<atom id="a12" elementType="C" x3="-3.391108" y3="-3.138196" z3="0.467450"></atom>
<atom id="a13" elementType="H" x3="-3.961475" y3="-2.523721" z3="1.147134"></atom>
<atom id="a14" elementType="H" x3="-3.065114" y3="-4.031769" z3="0.983824"></atom>
<atom id="a15" elementType="H" x3="-4.053935" y3="-3.411299" z3="-0.338709"></atom>
<atom id="a16" elementType="C" x3="1.385620" y3="-3.426506" z3="0.091231"></atom>
<atom id="a17" elementType="H" x3="1.062785" y3="-4.172599" z3="0.805310"></atom>
<atom id="a18" elementType="H" x3="2.159020" y3="-2.830266" z3="0.547225"></atom>
<atom id="a19" elementType="H" x3="1.800916" y3="-3.911864" z3="-0.776396"></atom>
<atom id="a20" elementType="C" x3="1.533462" y3="-0.873007" z3="-1.502801"></atom>
<atom id="a21" elementType="C" x3="-3.505594" y3="-0.479574" z3="-0.747450"></atom>
<atom id="a22" elementType="O" x3="-4.594805" y3="-1.000237" z3="-0.636897"></atom>
<atom id="a23" elementType="O" x3="1.785849" y3="0.300483" z3="-1.711178"></atom>
<atom id="a24" elementType="C" x3="2.022162" y3="0.257583" z3="1.326984"></atom>
<atom id="a25" elementType="C" x3="-0.343921" y3="0.901356" z3="1.271557"></atom>
<atom id="a26" elementType="C" x3="1.431089" y3="2.480287" z3="0.405469"></atom>
<atom id="a27" elementType="C" x3="-0.015354" y3="2.224605" z3="0.641970"></atom>
<atom id="a28" elementType="C" x3="2.348994" y3="1.574311" z3="0.700353"></atom>
<atom id="a29" elementType="C" x3="0.603776" y3="0.042867" z3="1.650477"></atom>
<atom id="a30" elementType="O" x3="2.909531" y3="-0.534119" z3="1.564934"></atom>
<atom id="a31" elementType="O" x3="-0.835897" y3="3.080092" z3="0.420281"></atom>
<atom id="a32" elementType="Cl" x3="0.284253" y3="-1.302254" z3="2.685613"></atom>
<atom id="a33" elementType="C" x3="1.748371" y3="3.738427" z3="-0.174197"></atom>
<atom id="a34" elementType="C" x3="3.722913" y3="1.761135" z3="0.412871"></atom>
<atom id="a35" elementType="N" x3="4.827576" y3="1.890256" z3="0.173255"></atom>
<atom id="a36" elementType="N" x3="1.994020" y3="4.749166" z3="-0.637570"></atom>
<atom id="a37" elementType="O" x3="2.434044" y3="-1.835768" z3="-1.760932"></atom>
<atom id="a38" elementType="O" x3="-3.386195" y3="0.856796" z3="-0.888162"></atom>
<atom id="a39" elementType="C" x3="-4.570914" y3="1.708750" z3="-0.773466"></atom>
<atom id="a40" elementType="H" x3="-5.301614" y3="1.399628" z3="-1.504121"></atom>
<atom id="a41" elementType="H" x3="-4.990016" y3="1.577016" z3="0.213017"></atom>
<atom id="a42" elementType="C" x3="-4.074349" y3="3.131484" z3="-0.998043"></atom>
<atom id="a43" elementType="H" x3="-3.743478" y3="3.255008" z3="-2.021336"></atom>
<atom id="a44" elementType="H" x3="-3.239781" y3="3.330728" z3="-0.341933"></atom>
<atom id="a45" elementType="H" x3="-4.868979" y3="3.841347" z3="-0.800483"></atom>
<atom id="a46" elementType="C" x3="3.797328" y3="-1.490706" z3="-2.181833"></atom>
<atom id="a47" elementType="H" x3="3.977493" y3="-2.070026" z3="-3.072662"></atom>
<atom id="a48" elementType="H" x3="3.828547" y3="-0.439077" z3="-2.408431"></atom>
<atom id="a49" elementType="C" x3="4.758757" y3="-1.858683" z3="-1.055504"></atom>
<atom id="a50" elementType="H" x3="4.721415" y3="-2.922558" z3="-0.859169"></atom>
<atom id="a51" elementType="H" x3="4.500559" y3="-1.327557" z3="-0.151198"></atom>
<atom id="a52" elementType="H" x3="5.770603" y3="-1.591594" z3="-1.336579"></atom>
<atom id="a53" elementType="Cl" x3="-1.933972" y3="0.837415" z3="1.945787"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364448381e+03</scalar>
<scalar title="Time">-1.47819</scalar>
<scalar title="Reaction Coordinate">-5</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.942413" y3="-0.485374" z3="-1.067331"></atom>
<atom id="a1" elementType="C" x3="-2.194339" y3="-2.378223" z3="-0.064849"></atom>
<atom id="a2" elementType="C" x3="0.212652" y3="-2.549395" z3="-0.296871"></atom>
<atom id="a3" elementType="N" x3="-0.990851" y3="-3.018801" z3="0.143411"></atom>
<atom id="a4" elementType="C" x3="0.269731" y3="-1.381206" z3="-0.961295"></atom>
<atom id="a5" elementType="C" x3="-2.216834" y3="-1.183159" z3="-0.663444"></atom>
<atom id="a6" elementType="H" x3="-0.799047" y3="0.254207" z3="-0.288927"></atom>
<atom id="a7" elementType="H" x3="-1.001708" y3="-3.875288" z3="0.651328"></atom>
<atom id="a8" elementType="C" x3="-1.020535" y3="0.389595" z3="-2.329095"></atom>
<atom id="a9" elementType="H" x3="-1.221503" y3="-0.214133" z3="-3.207775"></atom>
<atom id="a10" elementType="H" x3="-0.088117" y3="0.904509" z3="-2.467014"></atom>
<atom id="a11" elementType="H" x3="-1.808247" y3="1.105922" z3="-2.205996"></atom>
<atom id="a12" elementType="C" x3="-3.390055" y3="-3.137439" z3="0.467790"></atom>
<atom id="a13" elementType="H" x3="-3.960584" y3="-2.523618" z3="1.147894"></atom>
<atom id="a14" elementType="H" x3="-3.065154" y3="-4.032087" z3="0.982964"></atom>
<atom id="a15" elementType="H" x3="-4.052176" y3="-3.408501" z3="-0.339619"></atom>
<atom id="a16" elementType="C" x3="1.385238" y3="-3.424047" z3="0.092791"></atom>
<atom id="a17" elementType="H" x3="1.063887" y3="-4.172534" z3="0.804981"></atom>
<atom id="a18" elementType="H" x3="2.157074" y3="-2.826888" z3="0.550391"></atom>
<atom id="a19" elementType="H" x3="1.801493" y3="-3.905855" z3="-0.776288"></atom>
<atom id="a20" elementType="C" x3="1.533092" y3="-0.871355" z3="-1.502363"></atom>
<atom id="a21" elementType="C" x3="-3.504069" y3="-0.477741" z3="-0.747132"></atom>
<atom id="a22" elementType="O" x3="-4.591929" y3="-1.001225" z3="-0.637331"></atom>
<atom id="a23" elementType="O" x3="1.785292" y3="0.301528" z3="-1.713429"></atom>
<atom id="a24" elementType="C" x3="2.022299" y3="0.255093" z3="1.330837"></atom>
<atom id="a25" elementType="C" x3="-0.349349" y3="0.885413" z3="1.237269"></atom>
<atom id="a26" elementType="C" x3="1.430775" y3="2.481555" z3="0.407432"></atom>
<atom id="a27" elementType="C" x3="-0.016785" y3="2.225715" z3="0.637416"></atom>
<atom id="a28" elementType="C" x3="2.347200" y3="1.573175" z3="0.701320"></atom>
<atom id="a29" elementType="C" x3="0.606350" y3="0.042072" z3="1.646529"></atom>
<atom id="a30" elementType="O" x3="2.913869" y3="-0.534582" z3="1.564683"></atom>
<atom id="a31" elementType="O" x3="-0.836025" y3="3.083833" z3="0.421286"></atom>
<atom id="a32" elementType="Cl" x3="0.283861" y3="-1.303287" z3="2.686107"></atom>
<atom id="a33" elementType="C" x3="1.748613" y3="3.739308" z3="-0.173634"></atom>
<atom id="a34" elementType="C" x3="3.721619" y3="1.759826" z3="0.413226"></atom>
<atom id="a35" elementType="N" x3="4.826213" y3="1.890070" z3="0.173441"></atom>
<atom id="a36" elementType="N" x3="1.994133" y3="4.749660" z3="-0.638052"></atom>
<atom id="a37" elementType="O" x3="2.432045" y3="-1.835125" z3="-1.760593"></atom>
<atom id="a38" elementType="O" x3="-3.386531" y3="0.857418" z3="-0.889384"></atom>
<atom id="a39" elementType="C" x3="-4.571378" y3="1.709684" z3="-0.773292"></atom>
<atom id="a40" elementType="H" x3="-5.302497" y3="1.400504" z3="-1.503469"></atom>
<atom id="a41" elementType="H" x3="-4.988910" y3="1.577371" z3="0.213712"></atom>
<atom id="a42" elementType="C" x3="-4.074001" y3="3.131850" z3="-0.997900"></atom>
<atom id="a43" elementType="H" x3="-3.744109" y3="3.255593" z3="-2.021489"></atom>
<atom id="a44" elementType="H" x3="-3.238772" y3="3.330197" z3="-0.342360"></atom>
<atom id="a45" elementType="H" x3="-4.868007" y3="3.842114" z3="-0.799364"></atom>
<atom id="a46" elementType="C" x3="3.797058" y3="-1.491013" z3="-2.181541"></atom>
<atom id="a47" elementType="H" x3="3.976173" y3="-2.070783" z3="-3.072245"></atom>
<atom id="a48" elementType="H" x3="3.828382" y3="-0.439442" z3="-2.408310"></atom>
<atom id="a49" elementType="C" x3="4.758026" y3="-1.858620" z3="-1.054795"></atom>
<atom id="a50" elementType="H" x3="4.722437" y3="-2.922709" z3="-0.859307"></atom>
<atom id="a51" elementType="H" x3="4.498026" y3="-1.328486" z3="-0.150462"></atom>
<atom id="a52" elementType="H" x3="5.769607" y3="-1.589557" z3="-1.334960"></atom>
<atom id="a53" elementType="Cl" x3="-1.934787" y3="0.838083" z3="1.947604"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364444000e+03</scalar>
<scalar title="Time">-1.17946</scalar>
<scalar title="Reaction Coordinate">-4</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.941768" y3="-0.496066" z3="-1.067860"></atom>
<atom id="a1" elementType="C" x3="-2.192693" y3="-2.377358" z3="-0.062541"></atom>
<atom id="a2" elementType="C" x3="0.211519" y3="-2.548153" z3="-0.293582"></atom>
<atom id="a3" elementType="N" x3="-0.990747" y3="-3.017594" z3="0.142284"></atom>
<atom id="a4" elementType="C" x3="0.267243" y3="-1.378723" z3="-0.959273"></atom>
<atom id="a5" elementType="C" x3="-2.213460" y3="-1.181034" z3="-0.660735"></atom>
<atom id="a6" elementType="H" x3="-0.793467" y3="0.237354" z3="-0.272323"></atom>
<atom id="a7" elementType="H" x3="-1.001266" y3="-3.872762" z3="0.652527"></atom>
<atom id="a8" elementType="C" x3="-1.018488" y3="0.395150" z3="-2.318545"></atom>
<atom id="a9" elementType="H" x3="-1.221093" y3="-0.207682" z3="-3.197949"></atom>
<atom id="a10" elementType="H" x3="-0.085163" y3="0.907514" z3="-2.456619"></atom>
<atom id="a11" elementType="H" x3="-1.806770" y3="1.109734" z3="-2.192695"></atom>
<atom id="a12" elementType="C" x3="-3.389155" y3="-3.136917" z3="0.467931"></atom>
<atom id="a13" elementType="H" x3="-3.959283" y3="-2.523015" z3="1.148231"></atom>
<atom id="a14" elementType="H" x3="-3.065587" y3="-4.032480" z3="0.982357"></atom>
<atom id="a15" elementType="H" x3="-4.050647" y3="-3.405912" z3="-0.340659"></atom>
<atom id="a16" elementType="C" x3="1.384831" y3="-3.422180" z3="0.093870"></atom>
<atom id="a17" elementType="H" x3="1.065124" y3="-4.172568" z3="0.804775"></atom>
<atom id="a18" elementType="H" x3="2.154376" y3="-2.822908" z3="0.552752"></atom>
<atom id="a19" elementType="H" x3="1.801753" y3="-3.900604" z3="-0.776682"></atom>
<atom id="a20" elementType="C" x3="1.533455" y3="-0.869687" z3="-1.502070"></atom>
<atom id="a21" elementType="C" x3="-3.503235" y3="-0.475346" z3="-0.747017"></atom>
<atom id="a22" elementType="O" x3="-4.589554" y3="-1.002168" z3="-0.637675"></atom>
<atom id="a23" elementType="O" x3="1.784736" y3="0.302313" z3="-1.715281"></atom>
<atom id="a24" elementType="C" x3="2.020578" y3="0.252077" z3="1.335549"></atom>
<atom id="a25" elementType="C" x3="-0.355782" y3="0.870808" z3="1.202751"></atom>
<atom id="a26" elementType="C" x3="1.430491" y3="2.482794" z3="0.408756"></atom>
<atom id="a27" elementType="C" x3="-0.017310" y3="2.228419" z3="0.636355"></atom>
<atom id="a28" elementType="C" x3="2.345179" y3="1.572028" z3="0.701753"></atom>
<atom id="a29" elementType="C" x3="0.612539" y3="0.042711" z3="1.645476"></atom>
<atom id="a30" elementType="O" x3="2.918130" y3="-0.535333" z3="1.564137"></atom>
<atom id="a31" elementType="O" x3="-0.836321" y3="3.086916" z3="0.421601"></atom>
<atom id="a32" elementType="Cl" x3="0.283544" y3="-1.304429" z3="2.686558"></atom>
<atom id="a33" elementType="C" x3="1.748677" y3="3.740040" z3="-0.173403"></atom>
<atom id="a34" elementType="C" x3="3.720683" y3="1.758765" z3="0.413567"></atom>
<atom id="a35" elementType="N" x3="4.825317" y3="1.889967" z3="0.173547"></atom>
<atom id="a36" elementType="N" x3="1.994237" y3="4.750115" z3="-0.638434"></atom>
<atom id="a37" elementType="O" x3="2.429922" y3="-1.834687" z3="-1.760261"></atom>
<atom id="a38" elementType="O" x3="-3.386750" y3="0.857537" z3="-0.890414"></atom>
<atom id="a39" elementType="C" x3="-4.571843" y3="1.710612" z3="-0.773152"></atom>
<atom id="a40" elementType="H" x3="-5.302968" y3="1.400911" z3="-1.503058"></atom>
<atom id="a41" elementType="H" x3="-4.987662" y3="1.577411" z3="0.214361"></atom>
<atom id="a42" elementType="C" x3="-4.073675" y3="3.132058" z3="-0.997784"></atom>
<atom id="a43" elementType="H" x3="-3.744683" y3="3.256134" z3="-2.021628"></atom>
<atom id="a44" elementType="H" x3="-3.237957" y3="3.329679" z3="-0.342650"></atom>
<atom id="a45" elementType="H" x3="-4.867344" y3="3.842473" z3="-0.798518"></atom>
<atom id="a46" elementType="C" x3="3.797321" y3="-1.491220" z3="-2.181395"></atom>
<atom id="a47" elementType="H" x3="3.974779" y3="-2.071324" z3="-3.072141"></atom>
<atom id="a48" elementType="H" x3="3.828272" y3="-0.439619" z3="-2.407956"></atom>
<atom id="a49" elementType="C" x3="4.757490" y3="-1.858527" z3="-1.054191"></atom>
<atom id="a50" elementType="H" x3="4.723341" y3="-2.922821" z3="-0.859573"></atom>
<atom id="a51" elementType="H" x3="4.495482" y3="-1.329185" z3="-0.150026"></atom>
<atom id="a52" elementType="H" x3="5.768834" y3="-1.587951" z3="-1.333774"></atom>
<atom id="a53" elementType="Cl" x3="-1.935950" y3="0.838885" z3="1.949823"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="D"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364438757e+03</scalar>
<scalar title="Time">-0.88175</scalar>
<scalar title="Reaction Coordinate">-3</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.941802" y3="-0.509258" z3="-1.071549"></atom>
<atom id="a1" elementType="C" x3="-2.190585" y3="-2.377642" z3="-0.060249"></atom>
<atom id="a2" elementType="C" x3="0.209929" y3="-2.548108" z3="-0.290131"></atom>
<atom id="a3" elementType="N" x3="-0.990739" y3="-3.015958" z3="0.140698"></atom>
<atom id="a4" elementType="C" x3="0.263215" y3="-1.374203" z3="-0.957690"></atom>
<atom id="a5" elementType="C" x3="-2.208964" y3="-1.177443" z3="-0.658879"></atom>
<atom id="a6" elementType="H" x3="-0.780368" y3="0.237745" z3="-0.227098"></atom>
<atom id="a7" elementType="H" x3="-1.000729" y3="-3.870094" z3="0.653543"></atom>
<atom id="a8" elementType="C" x3="-1.016921" y3="0.399851" z3="-2.310713"></atom>
<atom id="a9" elementType="H" x3="-1.220823" y3="-0.206872" z3="-3.188023"></atom>
<atom id="a10" elementType="H" x3="-0.082817" y3="0.909037" z3="-2.450765"></atom>
<atom id="a11" elementType="H" x3="-1.806674" y3="1.112024" z3="-2.184956"></atom>
<atom id="a12" elementType="C" x3="-3.388590" y3="-3.136680" z3="0.467950"></atom>
<atom id="a13" elementType="H" x3="-3.957739" y3="-2.522038" z3="1.148297"></atom>
<atom id="a14" elementType="H" x3="-3.066157" y3="-4.032787" z3="0.982004"></atom>
<atom id="a15" elementType="H" x3="-4.049643" y3="-3.403954" z3="-0.341578"></atom>
<atom id="a16" elementType="C" x3="1.384603" y3="-3.421068" z3="0.094496"></atom>
<atom id="a17" elementType="H" x3="1.066059" y3="-4.172523" z3="0.804700"></atom>
<atom id="a18" elementType="H" x3="2.151289" y3="-2.818495" z3="0.554460"></atom>
<atom id="a19" elementType="H" x3="1.801837" y3="-3.896788" z3="-0.777367"></atom>
<atom id="a20" elementType="C" x3="1.534834" y3="-0.868059" z3="-1.502123"></atom>
<atom id="a21" elementType="C" x3="-3.503372" y3="-0.472658" z3="-0.747084"></atom>
<atom id="a22" elementType="O" x3="-4.587836" y3="-1.002954" z3="-0.637914"></atom>
<atom id="a23" elementType="O" x3="1.784112" y3="0.302565" z3="-1.716531"></atom>
<atom id="a24" elementType="C" x3="2.016224" y3="0.249274" z3="1.340129"></atom>
<atom id="a25" elementType="C" x3="-0.363706" y3="0.860485" z3="1.172464"></atom>
<atom id="a26" elementType="C" x3="1.430192" y3="2.483736" z3="0.409217"></atom>
<atom id="a27" elementType="C" x3="-0.016957" y3="2.231784" z3="0.637963"></atom>
<atom id="a28" elementType="C" x3="2.343351" y3="1.571203" z3="0.701793"></atom>
<atom id="a29" elementType="C" x3="0.622767" y3="0.043059" z3="1.646698"></atom>
<atom id="a30" elementType="O" x3="2.922092" y3="-0.536442" z3="1.563609"></atom>
<atom id="a31" elementType="O" x3="-0.836674" y3="3.088990" z3="0.421377"></atom>
<atom id="a32" elementType="Cl" x3="0.283293" y3="-1.305437" z3="2.686892"></atom>
<atom id="a33" elementType="C" x3="1.748641" y3="3.740566" z3="-0.173310"></atom>
<atom id="a34" elementType="C" x3="3.720148" y3="1.758118" z3="0.413892"></atom>
<atom id="a35" elementType="N" x3="4.824883" y3="1.889918" z3="0.173561"></atom>
<atom id="a36" elementType="N" x3="1.994316" y3="4.750447" z3="-0.638698"></atom>
<atom id="a37" elementType="O" x3="2.427947" y3="-1.834412" z3="-1.759965"></atom>
<atom id="a38" elementType="O" x3="-3.386755" y3="0.857098" z3="-0.891155"></atom>
<atom id="a39" elementType="C" x3="-4.572307" y3="1.711451" z3="-0.773026"></atom>
<atom id="a40" elementType="H" x3="-5.302966" y3="1.400817" z3="-1.502967"></atom>
<atom id="a41" elementType="H" x3="-4.986346" y3="1.577163" z3="0.214917"></atom>
<atom id="a42" elementType="C" x3="-4.073403" y3="3.132147" z3="-0.997696"></atom>
<atom id="a43" elementType="H" x3="-3.745192" y3="3.256629" z3="-2.021767"></atom>
<atom id="a44" elementType="H" x3="-3.237348" y3="3.329224" z3="-0.342772"></atom>
<atom id="a45" elementType="H" x3="-4.867019" y3="3.842453" z3="-0.798009"></atom>
<atom id="a46" elementType="C" x3="3.797946" y3="-1.491317" z3="-2.181365"></atom>
<atom id="a47" elementType="H" x3="3.973332" y3="-2.071702" z3="-3.072261"></atom>
<atom id="a48" elementType="H" x3="3.828136" y3="-0.439640" z3="-2.407451"></atom>
<atom id="a49" elementType="C" x3="4.757138" y3="-1.858413" z3="-1.053711"></atom>
<atom id="a50" elementType="H" x3="4.724047" y3="-2.922929" z3="-0.859965"></atom>
<atom id="a51" elementType="H" x3="4.493025" y3="-1.329621" z3="-0.149791"></atom>
<atom id="a52" elementType="H" x3="5.768244" y3="-1.586942" z3="-1.333297"></atom>
<atom id="a53" elementType="Cl" x3="-1.937137" y3="0.839649" z3="1.951938"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="D"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364432327e+03</scalar>
<scalar title="Time">-0.59399</scalar>
<scalar title="Reaction Coordinate">-2</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.942810" y3="-0.523563" z3="-1.079037"></atom>
<atom id="a1" elementType="C" x3="-2.188653" y3="-2.378876" z3="-0.058229"></atom>
<atom id="a2" elementType="C" x3="0.208497" y3="-2.549035" z3="-0.287167"></atom>
<atom id="a3" elementType="N" x3="-0.990851" y3="-3.014334" z3="0.139198"></atom>
<atom id="a4" elementType="C" x3="0.259192" y3="-1.369395" z3="-0.956885"></atom>
<atom id="a5" elementType="C" x3="-2.204777" y3="-1.173568" z3="-0.658055"></atom>
<atom id="a6" elementType="H" x3="-0.757808" y3="0.276874" z3="-0.138213"></atom>
<atom id="a7" elementType="H" x3="-1.000197" y3="-3.868302" z3="0.654379"></atom>
<atom id="a8" elementType="C" x3="-1.015908" y3="0.403234" z3="-2.305910"></atom>
<atom id="a9" elementType="H" x3="-1.220713" y3="-0.208849" z3="-3.180294"></atom>
<atom id="a10" elementType="H" x3="-0.081358" y3="0.909627" z3="-2.448177"></atom>
<atom id="a11" elementType="H" x3="-1.807112" y3="1.113249" z3="-2.181473"></atom>
<atom id="a12" elementType="C" x3="-3.388324" y3="-3.136618" z3="0.467921"></atom>
<atom id="a13" elementType="H" x3="-3.956417" y3="-2.521103" z3="1.148260"></atom>
<atom id="a14" elementType="H" x3="-3.066546" y3="-4.032855" z3="0.981752"></atom>
<atom id="a15" elementType="H" x3="-4.049162" y3="-3.402764" z3="-0.342233"></atom>
<atom id="a16" elementType="C" x3="1.384550" y3="-3.420550" z3="0.094791"></atom>
<atom id="a17" elementType="H" x3="1.066477" y3="-4.172316" z3="0.804634"></atom>
<atom id="a18" elementType="H" x3="2.148820" y3="-2.814649" z3="0.555676"></atom>
<atom id="a19" elementType="H" x3="1.801842" y3="-3.894567" z3="-0.778045"></atom>
<atom id="a20" elementType="C" x3="1.536562" y3="-0.866752" z3="-1.502395"></atom>
<atom id="a21" elementType="C" x3="-3.504078" y3="-0.470434" z3="-0.747208"></atom>
<atom id="a22" elementType="O" x3="-4.586752" y3="-1.003475" z3="-0.638062"></atom>
<atom id="a23" elementType="O" x3="1.783536" y3="0.302411" z3="-1.717191"></atom>
<atom id="a24" elementType="C" x3="2.010923" y3="0.247503" z3="1.343543"></atom>
<atom id="a25" elementType="C" x3="-0.371255" y3="0.855179" z3="1.150865"></atom>
<atom id="a26" elementType="C" x3="1.429886" y3="2.484341" z3="0.409147"></atom>
<atom id="a27" elementType="C" x3="-0.016209" y3="2.234545" z3="0.640308"></atom>
<atom id="a28" elementType="C" x3="2.342081" y3="1.570727" z3="0.701701"></atom>
<atom id="a29" elementType="C" x3="0.633450" y3="0.042660" z3="1.648659"></atom>
<atom id="a30" elementType="O" x3="2.925276" y3="-0.537708" z3="1.563292"></atom>
<atom id="a31" elementType="O" x3="-0.836986" y3="3.090131" z3="0.420978"></atom>
<atom id="a32" elementType="Cl" x3="0.283122" y3="-1.306120" z3="2.687070"></atom>
<atom id="a33" elementType="C" x3="1.748590" y3="3.740878" z3="-0.173241"></atom>
<atom id="a34" elementType="C" x3="3.719905" y3="1.757817" z3="0.414141"></atom>
<atom id="a35" elementType="N" x3="4.824732" y3="1.889896" z3="0.173531"></atom>
<atom id="a36" elementType="N" x3="1.994364" y3="4.750652" z3="-0.638862"></atom>
<atom id="a37" elementType="O" x3="2.426472" y3="-1.834247" z3="-1.759752"></atom>
<atom id="a38" elementType="O" x3="-3.386616" y3="0.856454" z3="-0.891597"></atom>
<atom id="a39" elementType="C" x3="-4.572696" y3="1.712077" z3="-0.772918"></atom>
<atom id="a40" elementType="H" x3="-5.302716" y3="1.400482" z3="-1.503089"></atom>
<atom id="a41" elementType="H" x3="-4.985219" y3="1.576839" z3="0.215283"></atom>
<atom id="a42" elementType="C" x3="-4.073215" y3="3.132175" z3="-0.997638"></atom>
<atom id="a43" elementType="H" x3="-3.745576" y3="3.257016" z3="-2.021906"></atom>
<atom id="a44" elementType="H" x3="-3.236922" y3="3.328897" z3="-0.342759"></atom>
<atom id="a45" elementType="H" x3="-4.866906" y3="3.842252" z3="-0.797772"></atom>
<atom id="a46" elementType="C" x3="3.798577" y3="-1.491337" z3="-2.181386"></atom>
<atom id="a47" elementType="H" x3="3.972125" y3="-2.071959" z3="-3.072444"></atom>
<atom id="a48" elementType="H" x3="3.827992" y3="-0.439612" z3="-2.406980"></atom>
<atom id="a49" elementType="C" x3="4.756939" y3="-1.858310" z3="-1.053383"></atom>
<atom id="a50" elementType="H" x3="4.724514" y3="-2.923048" z3="-0.860340"></atom>
<atom id="a51" elementType="H" x3="4.491008" y3="-1.329813" z3="-0.149589"></atom>
<atom id="a52" elementType="H" x3="5.767838" y3="-1.586441" z3="-1.333328"></atom>
<atom id="a53" elementType="Cl" x3="-1.938049" y3="0.840218" z3="1.953502"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a6 a0" order="S"></bond>
<bond id="b3" atomRefs2="a8 a0" order="S"></bond>
<bond id="b4" atomRefs2="a3 a1" order="S"></bond>
<bond id="b5" atomRefs2="a5 a1" order="D"></bond>
<bond id="b6" atomRefs2="a12 a1" order="S"></bond>
<bond id="b7" atomRefs2="a3 a2" order="S"></bond>
<bond id="b8" atomRefs2="a4 a2" order="S"></bond>
<bond id="b9" atomRefs2="a16 a2" order="S"></bond>
<bond id="b10" atomRefs2="a7 a3" order="S"></bond>
<bond id="b11" atomRefs2="a20 a4" order="S"></bond>
<bond id="b12" atomRefs2="a21 a5" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<scalar title="Energy">-2.364423881e+03</scalar>
<scalar title="Time">-0.29971</scalar>
<scalar title="Reaction Coordinate">-1</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.946601" y3="-0.554339" z3="-1.100746"></atom>
<atom id="a1" elementType="C" x3="-2.185190" y3="-2.382010" z3="-0.054477"></atom>
<atom id="a2" elementType="C" x3="0.206254" y3="-2.551300" z3="-0.282207"></atom>
<atom id="a3" elementType="N" x3="-0.991477" y3="-3.011436" z3="0.136473"></atom>
<atom id="a4" elementType="C" x3="0.251831" y3="-1.361265" z3="-0.956518"></atom>
<atom id="a5" elementType="C" x3="-2.197252" y3="-1.166413" z3="-0.657611"></atom>
<atom id="a6" elementType="H" x3="-0.708857" y3="0.386988" z3="0.066460"></atom>
<atom id="a7" elementType="H" x3="-0.999349" y3="-3.866356" z3="0.655465"></atom>
<atom id="a8" elementType="C" x3="-1.014457" y3="0.408193" z3="-2.299508"></atom>
<atom id="a9" elementType="H" x3="-1.220483" y3="-0.212070" z3="-3.169257"></atom>
<atom id="a10" elementType="H" x3="-0.079205" y3="0.910479" z3="-2.444966"></atom>
<atom id="a11" elementType="H" x3="-1.808020" y3="1.115002" z3="-2.177145"></atom>
<atom id="a12" elementType="C" x3="-3.387991" y3="-3.136599" z3="0.467898"></atom>
<atom id="a13" elementType="H" x3="-3.954220" y3="-2.519398" z3="1.148214"></atom>
<atom id="a14" elementType="H" x3="-3.067212" y3="-4.032854" z3="0.981345"></atom>
<atom id="a15" elementType="H" x3="-4.048560" y3="-3.400883" z3="-0.343353"></atom>
<atom id="a16" elementType="C" x3="1.384627" y3="-3.419930" z3="0.095218"></atom>
<atom id="a17" elementType="H" x3="1.067056" y3="-4.171874" z3="0.804586"></atom>
<atom id="a18" elementType="H" x3="2.145110" y3="-2.807799" z3="0.557913"></atom>
<atom id="a19" elementType="H" x3="1.801867" y3="-3.891494" z3="-0.779224"></atom>
<atom id="a20" elementType="C" x3="1.539965" y3="-0.864673" z3="-1.503032"></atom>
<atom id="a21" elementType="C" x3="-3.505726" y3="-0.466771" z3="-0.747474"></atom>
<atom id="a22" elementType="O" x3="-4.585110" y3="-1.004252" z3="-0.638273"></atom>
<atom id="a23" elementType="O" x3="1.782516" y3="0.301920" z3="-1.717961"></atom>
<atom id="a24" elementType="C" x3="2.000900" y3="0.245488" z3="1.348816"></atom>
<atom id="a25" elementType="C" x3="-0.383728" y3="0.852198" z3="1.122036"></atom>
<atom id="a26" elementType="C" x3="1.429063" y3="2.485472" z3="0.408632"></atom>
<atom id="a27" elementType="C" x3="-0.014295" y3="2.239327" z3="0.645365"></atom>
<atom id="a28" elementType="C" x3="2.339949" y3="1.569791" z3="0.701683"></atom>
<atom id="a29" elementType="C" x3="0.653125" y3="0.041691" z3="1.652818"></atom>
<atom id="a30" elementType="O" x3="2.931012" y3="-0.540736" z3="1.562841"></atom>
<atom id="a31" elementType="O" x3="-0.837684" y3="3.091754" z3="0.420036"></atom>
<atom id="a32" elementType="Cl" x3="0.282897" y3="-1.307087" z3="2.687154"></atom>
<atom id="a33" elementType="C" x3="1.748511" y3="3.741313" z3="-0.173078"></atom>
<atom id="a34" elementType="C" x3="3.719591" y3="1.757378" z3="0.414615"></atom>
<atom id="a35" elementType="N" x3="4.824560" y3="1.889873" z3="0.173450"></atom>
<atom id="a36" elementType="N" x3="1.994441" y3="4.750979" z3="-0.639132"></atom>
<atom id="a37" elementType="O" x3="2.424087" y3="-1.834004" z3="-1.759440"></atom>
<atom id="a38" elementType="O" x3="-3.386246" y3="0.855193" z3="-0.892201"></atom>
<atom id="a39" elementType="C" x3="-4.573382" y3="1.713125" z3="-0.772723"></atom>
<atom id="a40" elementType="H" x3="-5.302100" y3="1.399717" z3="-1.503445"></atom>
<atom id="a41" elementType="H" x3="-4.983224" y3="1.576250" z3="0.215857"></atom>
<atom id="a42" elementType="C" x3="-4.072916" y3="3.132204" z3="-0.997549"></atom>
<atom id="a43" elementType="H" x3="-3.746205" y3="3.257647" z3="-2.022178"></atom>
<atom id="a44" elementType="H" x3="-3.236156" y3="3.328397" z3="-0.342624"></atom>
<atom id="a45" elementType="H" x3="-4.866776" y3="3.841813" z3="-0.797460"></atom>
<atom id="a46" elementType="C" x3="3.799723" y3="-1.491336" z3="-2.181458"></atom>
<atom id="a47" elementType="H" x3="3.970053" y3="-2.072375" z3="-3.072823"></atom>
<atom id="a48" elementType="H" x3="3.827760" y3="-0.439542" z3="-2.406129"></atom>
<atom id="a49" elementType="C" x3="4.756642" y3="-1.858121" z3="-1.052841"></atom>
<atom id="a50" elementType="H" x3="4.725228" y3="-2.923297" z3="-0.861023"></atom>
<atom id="a51" elementType="H" x3="4.487177" y3="-1.329973" z3="-0.148962"></atom>
<atom id="a52" elementType="H" x3="5.767177" y3="-1.585713" z3="-1.333579"></atom>
<atom id="a53" elementType="Cl" x3="-1.939672" y3="0.841211" z3="1.956187"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364423113e+03</scalar>
<scalar title="Time">0.29859</scalar>
<scalar title="Reaction Coordinate">1</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.950125" y3="-0.577340" z3="-1.119683"></atom>
<atom id="a1" elementType="C" x3="-2.182940" y3="-2.383449" z3="-0.051789"></atom>
<atom id="a2" elementType="C" x3="0.205026" y3="-2.552012" z3="-0.279051"></atom>
<atom id="a3" elementType="N" x3="-0.992143" y3="-3.009936" z3="0.134648"></atom>
<atom id="a4" elementType="C" x3="0.247154" y3="-1.357810" z3="-0.956976"></atom>
<atom id="a5" elementType="C" x3="-2.192451" y3="-1.162852" z3="-0.657603"></atom>
<atom id="a6" elementType="H" x3="-0.697806" y3="0.420960" z3="0.128380"></atom>
<atom id="a7" elementType="H" x3="-0.999136" y3="-3.865198" z3="0.655055"></atom>
<atom id="a8" elementType="C" x3="-1.013479" y3="0.410829" z3="-2.295272"></atom>
<atom id="a9" elementType="H" x3="-1.220278" y3="-0.207997" z3="-3.166601"></atom>
<atom id="a10" elementType="H" x3="-0.077282" y3="0.911034" z3="-2.439929"></atom>
<atom id="a11" elementType="H" x3="-1.808101" y3="1.115794" z3="-2.170711"></atom>
<atom id="a12" elementType="C" x3="-3.387568" y3="-3.136477" z3="0.468078"></atom>
<atom id="a13" elementType="H" x3="-3.952839" y3="-2.518337" z3="1.148338"></atom>
<atom id="a14" elementType="H" x3="-3.068058" y3="-4.033206" z3="0.981206"></atom>
<atom id="a15" elementType="H" x3="-4.047643" y3="-3.398880" z3="-0.344299"></atom>
<atom id="a16" elementType="C" x3="1.384696" y3="-3.419144" z3="0.095887"></atom>
<atom id="a17" elementType="H" x3="1.068101" y3="-4.171824" z3="0.804792"></atom>
<atom id="a18" elementType="H" x3="2.142646" y3="-2.803332" z3="0.559723"></atom>
<atom id="a19" elementType="H" x3="1.801974" y3="-3.888527" z3="-0.779802"></atom>
<atom id="a20" elementType="C" x3="1.541836" y3="-0.863355" z3="-1.503362"></atom>
<atom id="a21" elementType="C" x3="-3.506332" y3="-0.464314" z3="-0.747709"></atom>
<atom id="a22" elementType="O" x3="-4.583718" y3="-1.004900" z3="-0.638409"></atom>
<atom id="a23" elementType="O" x3="1.781894" y3="0.301928" z3="-1.718639"></atom>
<atom id="a24" elementType="C" x3="1.996626" y3="0.243955" z3="1.352449"></atom>
<atom id="a25" elementType="C" x3="-0.388896" y3="0.854516" z3="1.111230"></atom>
<atom id="a26" elementType="C" x3="1.428378" y3="2.486581" z3="0.408519"></atom>
<atom id="a27" elementType="C" x3="-0.012984" y3="2.243461" z3="0.649371"></atom>
<atom id="a28" elementType="C" x3="2.338073" y3="1.568833" z3="0.701910"></atom>
<atom id="a29" elementType="C" x3="0.664468" y3="0.042220" z3="1.656102"></atom>
<atom id="a30" elementType="O" x3="2.935385" y3="-0.543214" z3="1.562269"></atom>
<atom id="a31" elementType="O" x3="-0.838310" y3="3.093418" z3="0.419256"></atom>
<atom id="a32" elementType="Cl" x3="0.282783" y3="-1.307827" z3="2.687058"></atom>
<atom id="a33" elementType="C" x3="1.748505" y3="3.741749" z3="-0.172990"></atom>
<atom id="a34" elementType="C" x3="3.719157" y3="1.756765" z3="0.415046"></atom>
<atom id="a35" elementType="N" x3="4.824202" y3="1.889850" z3="0.173428"></atom>
<atom id="a36" elementType="N" x3="1.994519" y3="4.751292" z3="-0.639382"></atom>
<atom id="a37" elementType="O" x3="2.422345" y3="-1.833811" z3="-1.759245"></atom>
<atom id="a38" elementType="O" x3="-3.386103" y3="0.854586" z3="-0.892714"></atom>
<atom id="a39" elementType="C" x3="-4.573859" y3="1.713945" z3="-0.772584"></atom>
<atom id="a40" elementType="H" x3="-5.301883" y3="1.399414" z3="-1.503494"></atom>
<atom id="a41" elementType="H" x3="-4.981896" y3="1.576000" z3="0.216389"></atom>
<atom id="a42" elementType="C" x3="-4.072659" y3="3.132276" z3="-0.997470"></atom>
<atom id="a43" elementType="H" x3="-3.746670" y3="3.258085" z3="-2.022327"></atom>
<atom id="a44" elementType="H" x3="-3.235534" y3="3.328012" z3="-0.342655"></atom>
<atom id="a45" elementType="H" x3="-4.866518" y3="3.841718" z3="-0.797037"></atom>
<atom id="a46" elementType="C" x3="3.800481" y3="-1.491402" z3="-2.181489"></atom>
<atom id="a47" elementType="H" x3="3.968658" y3="-2.072699" z3="-3.073039"></atom>
<atom id="a48" elementType="H" x3="3.827692" y3="-0.439519" z3="-2.405577"></atom>
<atom id="a49" elementType="C" x3="4.756317" y3="-1.857970" z3="-1.052344"></atom>
<atom id="a50" elementType="H" x3="4.725850" y3="-2.923415" z3="-0.861488"></atom>
<atom id="a51" elementType="H" x3="4.484139" y3="-1.330334" z3="-0.148485"></atom>
<atom id="a52" elementType="H" x3="5.766618" y3="-1.584735" z3="-1.333141"></atom>
<atom id="a53" elementType="Cl" x3="-1.941098" y3="0.842155" z3="1.958624"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364428572e+03</scalar>
<scalar title="Time">0.586</scalar>
<scalar title="Reaction Coordinate">2</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.954844" y3="-0.604365" z3="-1.144908"></atom>
<atom id="a1" elementType="C" x3="-2.180815" y3="-2.383986" z3="-0.048584"></atom>
<atom id="a2" elementType="C" x3="0.204037" y3="-2.551844" z3="-0.275678"></atom>
<atom id="a3" elementType="N" x3="-0.992926" y3="-3.009038" z3="0.132801"></atom>
<atom id="a4" elementType="C" x3="0.242876" y3="-1.357334" z3="-0.959076"></atom>
<atom id="a5" elementType="C" x3="-2.188295" y3="-1.161431" z3="-0.658513"></atom>
<atom id="a6" elementType="H" x3="-0.697959" y3="0.433193" z3="0.145540"></atom>
<atom id="a7" elementType="H" x3="-0.999341" y3="-3.864623" z3="0.653480"></atom>
<atom id="a8" elementType="C" x3="-1.012396" y3="0.412709" z3="-2.290697"></atom>
<atom id="a9" elementType="H" x3="-1.220243" y3="-0.193222" z3="-3.171556"></atom>
<atom id="a10" elementType="H" x3="-0.074562" y3="0.911327" z3="-2.428920"></atom>
<atom id="a11" elementType="H" x3="-1.806951" y3="1.115944" z3="-2.157167"></atom>
<atom id="a12" elementType="C" x3="-3.386774" y3="-3.136049" z3="0.468718"></atom>
<atom id="a13" elementType="H" x3="-3.951635" y3="-2.517502" z3="1.148905"></atom>
<atom id="a14" elementType="H" x3="-3.069316" y3="-4.033867" z3="0.981124"></atom>
<atom id="a15" elementType="H" x3="-4.045815" y3="-3.395581" z3="-0.345473"></atom>
<atom id="a16" elementType="C" x3="1.384762" y3="-3.417482" z3="0.097396"></atom>
<atom id="a17" elementType="H" x3="1.069988" y3="-4.171825" z3="0.805312"></atom>
<atom id="a18" elementType="H" x3="2.140226" y3="-2.798722" z3="0.562428"></atom>
<atom id="a19" elementType="H" x3="1.802302" y3="-3.883608" z3="-0.779928"></atom>
<atom id="a20" elementType="C" x3="1.542999" y3="-0.861963" z3="-1.503686"></atom>
<atom id="a21" elementType="C" x3="-3.506081" y3="-0.461843" z3="-0.748109"></atom>
<atom id="a22" elementType="O" x3="-4.581571" y3="-1.005787" z3="-0.638533"></atom>
<atom id="a23" elementType="O" x3="1.781275" y3="0.302417" z3="-1.719732"></atom>
<atom id="a24" elementType="C" x3="1.995674" y3="0.241765" z3="1.356678"></atom>
<atom id="a25" elementType="C" x3="-0.391766" y3="0.859193" z3="1.104941"></atom>
<atom id="a26" elementType="C" x3="1.427670" y3="2.488198" z3="0.409092"></atom>
<atom id="a27" elementType="C" x3="-0.012047" y3="2.249216" z3="0.654115"></atom>
<atom id="a28" elementType="C" x3="2.335697" y3="1.567572" z3="0.702438"></atom>
<atom id="a29" elementType="C" x3="0.673758" y3="0.044343" z3="1.660440"></atom>
<atom id="a30" elementType="O" x3="2.940959" y3="-0.546309" z3="1.561180"></atom>
<atom id="a31" elementType="O" x3="-0.839124" y3="3.096439" z3="0.418341"></atom>
<atom id="a32" elementType="Cl" x3="0.282664" y3="-1.308874" z3="2.686785"></atom>
<atom id="a33" elementType="C" x3="1.748648" y3="3.742481" z3="-0.172937"></atom>
<atom id="a34" elementType="C" x3="3.718246" y3="1.755632" z3="0.415585"></atom>
<atom id="a35" elementType="N" x3="4.823301" y3="1.889781" z3="0.173489"></atom>
<atom id="a36" elementType="N" x3="1.994657" y3="4.751820" z3="-0.639798"></atom>
<atom id="a37" elementType="O" x3="2.420319" y3="-1.833490" z3="-1.759055"></atom>
<atom id="a38" elementType="O" x3="-3.386130" y3="0.854407" z3="-0.893520"></atom>
<atom id="a39" elementType="C" x3="-4.574402" y3="1.715008" z3="-0.772392"></atom>
<atom id="a40" elementType="H" x3="-5.302097" y3="1.399565" z3="-1.503192"></atom>
<atom id="a41" elementType="H" x3="-4.980504" y3="1.576054" z3="0.217118"></atom>
<atom id="a42" elementType="C" x3="-4.072285" y3="3.132483" z3="-0.997347"></atom>
<atom id="a43" elementType="H" x3="-3.747252" y3="3.258626" z3="-2.022475"></atom>
<atom id="a44" elementType="H" x3="-3.234621" y3="3.327506" z3="-0.342907"></atom>
<atom id="a45" elementType="H" x3="-4.865870" y3="3.842005" z3="-0.796201"></atom>
<atom id="a46" elementType="C" x3="3.801148" y3="-1.491600" z3="-2.181445"></atom>
<atom id="a47" elementType="H" x3="3.967235" y3="-2.073214" z3="-3.073105"></atom>
<atom id="a48" elementType="H" x3="3.827727" y3="-0.439635" z3="-2.405096"></atom>
<atom id="a49" elementType="C" x3="4.755719" y3="-1.857780" z3="-1.051568"></atom>
<atom id="a50" elementType="H" x3="4.726843" y3="-2.923519" z3="-0.861953"></atom>
<atom id="a51" elementType="H" x3="4.480342" y3="-1.331190" z3="-0.147828"></atom>
<atom id="a52" elementType="H" x3="5.765771" y3="-1.582796" z3="-1.331575"></atom>
<atom id="a53" elementType="Cl" x3="-1.943085" y3="0.843686" z3="1.962340"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364432884e+03</scalar>
<scalar title="Time">0.88071</scalar>
<scalar title="Reaction Coordinate">3</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.959766" y3="-0.629795" z3="-1.171551"></atom>
<atom id="a1" elementType="C" x3="-2.179446" y3="-2.384000" z3="-0.045389"></atom>
<atom id="a2" elementType="C" x3="0.203606" y3="-2.551451" z3="-0.272768"></atom>
<atom id="a3" elementType="N" x3="-0.993564" y3="-3.009080" z3="0.131518"></atom>
<atom id="a4" elementType="C" x3="0.239944" y3="-1.360896" z3="-0.964128"></atom>
<atom id="a5" elementType="C" x3="-2.186198" y3="-1.163277" z3="-0.661721"></atom>
<atom id="a6" elementType="H" x3="-0.697814" y3="0.439904" z3="0.150882"></atom>
<atom id="a7" elementType="H" x3="-0.999763" y3="-3.865233" z3="0.651598"></atom>
<atom id="a8" elementType="C" x3="-1.011488" y3="0.413314" z3="-2.287364"></atom>
<atom id="a9" elementType="H" x3="-1.220631" y3="-0.168204" z3="-3.184733"></atom>
<atom id="a10" elementType="H" x3="-0.071653" y3="0.911264" z3="-2.412903"></atom>
<atom id="a11" elementType="H" x3="-1.804074" y3="1.115494" z3="-2.137776"></atom>
<atom id="a12" elementType="C" x3="-3.385762" y3="-3.135214" z3="0.470104"></atom>
<atom id="a13" elementType="H" x3="-3.950996" y3="-2.517124" z3="1.150338"></atom>
<atom id="a14" elementType="H" x3="-3.070450" y3="-4.034467" z3="0.981231"></atom>
<atom id="a15" elementType="H" x3="-4.043484" y3="-3.391584" z3="-0.346190"></atom>
<atom id="a16" elementType="C" x3="1.384953" y3="-3.414870" z3="0.099990"></atom>
<atom id="a17" elementType="H" x3="1.072214" y3="-4.171456" z3="0.806352"></atom>
<atom id="a18" elementType="H" x3="2.138631" y3="-2.794473" z3="0.566257"></atom>
<atom id="a19" elementType="H" x3="1.803195" y3="-3.877354" z3="-0.778935"></atom>
<atom id="a20" elementType="C" x3="1.543041" y3="-0.860874" z3="-1.504389"></atom>
<atom id="a21" elementType="C" x3="-3.504891" y3="-0.460179" z3="-0.748880"></atom>
<atom id="a22" elementType="O" x3="-4.578830" y3="-1.006743" z3="-0.638540"></atom>
<atom id="a23" elementType="O" x3="1.780634" y3="0.303178" z3="-1.721046"></atom>
<atom id="a24" elementType="C" x3="1.997945" y3="0.239516" z3="1.360739"></atom>
<atom id="a25" elementType="C" x3="-0.392686" y3="0.864065" z3="1.102212"></atom>
<atom id="a26" elementType="C" x3="1.427144" y3="2.490102" z3="0.410705"></atom>
<atom id="a27" elementType="C" x3="-0.011968" y3="2.255616" z3="0.658552"></atom>
<atom id="a28" elementType="C" x3="2.333619" y3="1.566409" z3="0.703364"></atom>
<atom id="a29" elementType="C" x3="0.679447" y3="0.047757" z3="1.665444"></atom>
<atom id="a30" elementType="O" x3="2.946962" y3="-0.549593" z3="1.559605"></atom>
<atom id="a31" elementType="O" x3="-0.839947" y3="3.100907" z3="0.417594"></atom>
<atom id="a32" elementType="Cl" x3="0.282517" y3="-1.310121" z3="2.686298"></atom>
<atom id="a33" elementType="C" x3="1.749098" y3="3.743437" z3="-0.172835"></atom>
<atom id="a34" elementType="C" x3="3.716846" y3="1.754182" z3="0.416014"></atom>
<atom id="a35" elementType="N" x3="4.821791" y3="1.889620" z3="0.173660"></atom>
<atom id="a36" elementType="N" x3="1.994859" y3="4.752540" z3="-0.640399"></atom>
<atom id="a37" elementType="O" x3="2.418583" y3="-1.832999" z3="-1.758955"></atom>
<atom id="a38" elementType="O" x3="-3.386272" y3="0.854776" z3="-0.894570"></atom>
<atom id="a39" elementType="C" x3="-4.574928" y3="1.716142" z3="-0.772111"></atom>
<atom id="a40" elementType="H" x3="-5.302842" y3="1.400329" z3="-1.502497"></atom>
<atom id="a41" elementType="H" x3="-4.979285" y3="1.576550" z3="0.217945"></atom>
<atom id="a42" elementType="C" x3="-4.071822" y3="3.132892" z3="-0.997182"></atom>
<atom id="a43" elementType="H" x3="-3.747893" y3="3.259233" z3="-2.022630"></atom>
<atom id="a44" elementType="H" x3="-3.233396" y3="3.326982" z3="-0.343402"></atom>
<atom id="a45" elementType="H" x3="-4.864764" y3="3.842813" z3="-0.794962"></atom>
<atom id="a46" elementType="C" x3="3.801403" y3="-1.491942" z3="-2.181243"></atom>
<atom id="a47" elementType="H" x3="3.966169" y3="-2.074005" z3="-3.072810"></atom>
<atom id="a48" elementType="H" x3="3.827872" y3="-0.439987" z3="-2.404903"></atom>
<atom id="a49" elementType="C" x3="4.754839" y3="-1.857588" z3="-1.050530"></atom>
<atom id="a50" elementType="H" x3="4.728182" y3="-2.923642" z3="-0.862309"></atom>
<atom id="a51" elementType="H" x3="4.476293" y3="-1.332523" z3="-0.146821"></atom>
<atom id="a52" elementType="H" x3="5.764628" y3="-1.579943" z3="-1.328865"></atom>
<atom id="a53" elementType="Cl" x3="-1.945279" y3="0.845794" z3="1.967059"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364436345e+03</scalar>
<scalar title="Time">1.17878</scalar>
<scalar title="Reaction Coordinate">4</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.964357" y3="-0.652429" z3="-1.197006"></atom>
<atom id="a1" elementType="C" x3="-2.178664" y3="-2.384580" z3="-0.042706"></atom>
<atom id="a2" elementType="C" x3="0.203534" y3="-2.551847" z3="-0.270747"></atom>
<atom id="a3" elementType="N" x3="-0.994005" y3="-3.009747" z3="0.131004"></atom>
<atom id="a4" elementType="C" x3="0.237469" y3="-1.367207" z3="-0.972565"></atom>
<atom id="a5" elementType="C" x3="-2.185498" y3="-1.167492" z3="-0.668044"></atom>
<atom id="a6" elementType="H" x3="-0.696441" y3="0.444899" z3="0.156094"></atom>
<atom id="a7" elementType="H" x3="-0.999942" y3="-3.866111" z3="0.651035"></atom>
<atom id="a8" elementType="C" x3="-1.010786" y3="0.413437" z3="-2.285752"></atom>
<atom id="a9" elementType="H" x3="-1.221582" y3="-0.138844" z3="-3.201115"></atom>
<atom id="a10" elementType="H" x3="-0.068818" y3="0.910955" z3="-2.395964"></atom>
<atom id="a11" elementType="H" x3="-1.800054" y3="1.115133" z3="-2.116864"></atom>
<atom id="a12" elementType="C" x3="-3.384813" y3="-3.134102" z3="0.472465"></atom>
<atom id="a13" elementType="H" x3="-3.950400" y3="-2.516599" z3="1.152923"></atom>
<atom id="a14" elementType="H" x3="-3.071265" y3="-4.034751" z3="0.982131"></atom>
<atom id="a15" elementType="H" x3="-4.041576" y3="-3.387681" z3="-0.345506"></atom>
<atom id="a16" elementType="C" x3="1.385542" y3="-3.411509" z3="0.103803"></atom>
<atom id="a17" elementType="H" x3="1.074558" y3="-4.170305" z3="0.808506"></atom>
<atom id="a18" elementType="H" x3="2.137355" y3="-2.789494" z3="0.571507"></atom>
<atom id="a19" elementType="H" x3="1.805430" y3="-3.870713" z3="-0.776075"></atom>
<atom id="a20" elementType="C" x3="1.542402" y3="-0.860379" z3="-1.506180"></atom>
<atom id="a21" elementType="C" x3="-3.503284" y3="-0.459365" z3="-0.750464"></atom>
<atom id="a22" elementType="O" x3="-4.575828" y3="-1.007722" z3="-0.638318"></atom>
<atom id="a23" elementType="O" x3="1.779718" y3="0.303755" z3="-1.722324"></atom>
<atom id="a24" elementType="C" x3="2.001037" y3="0.237653" z3="1.364583"></atom>
<atom id="a25" elementType="C" x3="-0.392871" y3="0.868800" z3="1.101978"></atom>
<atom id="a26" elementType="C" x3="1.426792" y3="2.492245" z3="0.413278"></atom>
<atom id="a27" elementType="C" x3="-0.012495" y3="2.262201" z3="0.662597"></atom>
<atom id="a28" elementType="C" x3="2.332026" y3="1.565590" z3="0.704810"></atom>
<atom id="a29" elementType="C" x3="0.683827" y3="0.051758" z3="1.671217"></atom>
<atom id="a30" elementType="O" x3="2.952911" y3="-0.552883" z3="1.557576"></atom>
<atom id="a31" elementType="O" x3="-0.840610" y3="3.106607" z3="0.417227"></atom>
<atom id="a32" elementType="Cl" x3="0.282290" y3="-1.311517" z3="2.685584"></atom>
<atom id="a33" elementType="C" x3="1.749950" y3="3.744552" z3="-0.172482"></atom>
<atom id="a34" elementType="C" x3="3.715096" y3="1.752728" z3="0.416238"></atom>
<atom id="a35" elementType="N" x3="4.819863" y3="1.889333" z3="0.173854"></atom>
<atom id="a36" elementType="N" x3="1.995131" y3="4.753343" z3="-0.641194"></atom>
<atom id="a37" elementType="O" x3="2.417396" y3="-1.832393" z3="-1.759023"></atom>
<atom id="a38" elementType="O" x3="-3.386303" y3="0.855275" z3="-0.895807"></atom>
<atom id="a39" elementType="C" x3="-4.575376" y3="1.717265" z3="-0.771681"></atom>
<atom id="a40" elementType="H" x3="-5.303839" y3="1.401445" z3="-1.501491"></atom>
<atom id="a41" elementType="H" x3="-4.978054" y3="1.577287" z3="0.218941"></atom>
<atom id="a42" elementType="C" x3="-4.071262" y3="3.133499" z3="-0.996968"></atom>
<atom id="a43" elementType="H" x3="-3.748646" y3="3.259946" z3="-2.022805"></atom>
<atom id="a44" elementType="H" x3="-3.231845" y3="3.326525" z3="-0.344103"></atom>
<atom id="a45" elementType="H" x3="-4.863311" y3="3.844018" z3="-0.793371"></atom>
<atom id="a46" elementType="C" x3="3.801319" y3="-1.492384" z3="-2.180852"></atom>
<atom id="a47" elementType="H" x3="3.965494" y3="-2.075092" z3="-3.072094"></atom>
<atom id="a48" elementType="H" x3="3.828121" y3="-0.440528" z3="-2.404968"></atom>
<atom id="a49" elementType="C" x3="4.753704" y3="-1.857380" z3="-1.049199"></atom>
<atom id="a50" elementType="H" x3="4.729781" y3="-2.923801" z3="-0.862602"></atom>
<atom id="a51" elementType="H" x3="4.471874" y3="-1.334206" z3="-0.145336"></atom>
<atom id="a52" elementType="H" x3="5.763166" y3="-1.576433" z3="-1.325401"></atom>
<atom id="a53" elementType="Cl" x3="-1.947436" y3="0.848514" z3="1.972669"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364439130e+03</scalar>
<scalar title="Time">1.47732</scalar>
<scalar title="Reaction Coordinate">5</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.968442" y3="-0.672111" z3="-1.220479"></atom>
<atom id="a1" elementType="C" x3="-2.178241" y3="-2.386006" z3="-0.041325"></atom>
<atom id="a2" elementType="C" x3="0.203513" y3="-2.553241" z3="-0.270226"></atom>
<atom id="a3" elementType="N" x3="-0.994227" y3="-3.010771" z3="0.131247"></atom>
<atom id="a4" elementType="C" x3="0.234843" y3="-1.375245" z3="-0.983863"></atom>
<atom id="a5" elementType="C" x3="-2.185503" y3="-1.173378" z3="-0.677211"></atom>
<atom id="a6" elementType="H" x3="-0.695340" y3="0.447659" z3="0.161240"></atom>
<atom id="a7" elementType="H" x3="-0.999631" y3="-3.866051" z3="0.653291"></atom>
<atom id="a8" elementType="C" x3="-1.010255" y3="0.413732" z3="-2.285796"></atom>
<atom id="a9" elementType="H" x3="-1.223333" y3="-0.110426" z3="-3.217024"></atom>
<atom id="a10" elementType="H" x3="-0.066171" y3="0.910161" z3="-2.381617"></atom>
<atom id="a11" elementType="H" x3="-1.795638" y3="1.115123" z3="-2.097898"></atom>
<atom id="a12" elementType="C" x3="-3.384074" y3="-3.132874" z3="0.475926"></atom>
<atom id="a13" elementType="H" x3="-3.948945" y3="-2.515102" z3="1.156741"></atom>
<atom id="a14" elementType="H" x3="-3.071868" y3="-4.034519" z3="0.984576"></atom>
<atom id="a15" elementType="H" x3="-4.041023" y3="-3.384423" z3="-0.342531"></atom>
<atom id="a16" elementType="C" x3="1.386718" y3="-3.407562" z3="0.108875"></atom>
<atom id="a17" elementType="H" x3="1.077174" y3="-4.167956" z3="0.812416"></atom>
<atom id="a18" elementType="H" x3="2.135524" y3="-2.782774" z3="0.578231"></atom>
<atom id="a19" elementType="H" x3="1.809975" y3="-3.864370" z3="-0.770637"></atom>
<atom id="a20" elementType="C" x3="1.541291" y3="-0.860780" z3="-1.509505"></atom>
<atom id="a21" elementType="C" x3="-3.501635" y3="-0.459338" z3="-0.753253"></atom>
<atom id="a22" elementType="O" x3="-4.572968" y3="-1.008759" z3="-0.637816"></atom>
<atom id="a23" elementType="O" x3="1.778327" y3="0.303841" z3="-1.723433"></atom>
<atom id="a24" elementType="C" x3="2.004074" y3="0.236295" z3="1.368283"></atom>
<atom id="a25" elementType="C" x3="-0.392844" y3="0.873395" z3="1.103805"></atom>
<atom id="a26" elementType="C" x3="1.426590" y3="2.494641" z3="0.416616"></atom>
<atom id="a27" elementType="C" x3="-0.013328" y3="2.268750" z3="0.666459"></atom>
<atom id="a28" elementType="C" x3="2.330702" y3="1.565260" z3="0.706822"></atom>
<atom id="a29" elementType="C" x3="0.687817" y3="0.056062" z3="1.677859"></atom>
<atom id="a30" elementType="O" x3="2.958212" y3="-0.555896" z3="1.555031"></atom>
<atom id="a31" elementType="O" x3="-0.840909" y3="3.113155" z3="0.417439"></atom>
<atom id="a32" elementType="Cl" x3="0.281955" y3="-1.313042" z3="2.684653"></atom>
<atom id="a33" elementType="C" x3="1.751193" y3="3.745815" z3="-0.171709"></atom>
<atom id="a34" elementType="C" x3="3.713177" y3="1.751503" z3="0.416326"></atom>
<atom id="a35" elementType="N" x3="4.817762" y3="1.888907" z3="0.173928"></atom>
<atom id="a36" elementType="N" x3="1.995505" y3="4.754095" z3="-0.642159"></atom>
<atom id="a37" elementType="O" x3="2.416836" y3="-1.831910" z3="-1.759396"></atom>
<atom id="a38" elementType="O" x3="-3.386059" y3="0.855496" z3="-0.897226"></atom>
<atom id="a39" elementType="C" x3="-4.575563" y3="1.718277" z3="-0.771057"></atom>
<atom id="a40" elementType="H" x3="-5.304802" y3="1.402614" z3="-1.500143"></atom>
<atom id="a41" elementType="H" x3="-4.976475" y3="1.577975" z3="0.220172"></atom>
<atom id="a42" elementType="C" x3="-4.070571" y3="3.134212" z3="-0.996678"></atom>
<atom id="a43" elementType="H" x3="-3.749568" y3="3.260783" z3="-2.022994"></atom>
<atom id="a44" elementType="H" x3="-3.229980" y3="3.326206" z3="-0.344992"></atom>
<atom id="a45" elementType="H" x3="-4.861653" y3="3.845330" z3="-0.791418"></atom>
<atom id="a46" elementType="C" x3="3.801202" y3="-1.492864" z3="-2.180298"></atom>
<atom id="a47" elementType="H" x3="3.965409" y3="-2.076315" z3="-3.071054"></atom>
<atom id="a48" elementType="H" x3="3.828533" y3="-0.441151" z3="-2.405102"></atom>
<atom id="a49" elementType="C" x3="4.752368" y3="-1.857124" z3="-1.047530"></atom>
<atom id="a50" elementType="H" x3="4.731502" y3="-2.923955" z3="-0.862810"></atom>
<atom id="a51" elementType="H" x3="4.467007" y3="-1.336156" z3="-0.143487"></atom>
<atom id="a52" elementType="H" x3="5.761465" y3="-1.572480" z3="-1.321261"></atom>
<atom id="a53" elementType="Cl" x3="-1.949396" y3="0.851923" z3="1.979189"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364441385e+03</scalar>
<scalar title="Time">1.7759</scalar>
<scalar title="Reaction Coordinate">6</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.971974" y3="-0.688653" z3="-1.241677"></atom>
<atom id="a1" elementType="C" x3="-2.178080" y3="-2.388249" z3="-0.041709"></atom>
<atom id="a2" elementType="C" x3="0.203402" y3="-2.555506" z3="-0.271488"></atom>
<atom id="a3" elementType="N" x3="-0.994256" y3="-3.011908" z3="0.131929"></atom>
<atom id="a4" elementType="C" x3="0.232008" y3="-1.384203" z3="-0.997093"></atom>
<atom id="a5" elementType="C" x3="-2.185931" y3="-1.180248" z3="-0.688442"></atom>
<atom id="a6" elementType="H" x3="-0.694551" y3="0.449311" z3="0.167473"></atom>
<atom id="a7" elementType="H" x3="-0.998761" y3="-3.864368" z3="0.658798"></atom>
<atom id="a8" elementType="C" x3="-1.009916" y3="0.414225" z3="-2.287373"></atom>
<atom id="a9" elementType="H" x3="-1.226074" y3="-0.085766" z3="-3.230930"></atom>
<atom id="a10" elementType="H" x3="-0.063772" y3="0.908693" z3="-2.371749"></atom>
<atom id="a11" elementType="H" x3="-1.791311" y3="1.115505" z3="-2.082675"></atom>
<atom id="a12" elementType="C" x3="-3.383498" y3="-3.131529" z3="0.480418"></atom>
<atom id="a13" elementType="H" x3="-3.945962" y3="-2.512082" z3="1.161753"></atom>
<atom id="a14" elementType="H" x3="-3.072091" y3="-4.033507" z3="0.988905"></atom>
<atom id="a15" elementType="H" x3="-4.042342" y3="-3.382073" z3="-0.336796"></atom>
<atom id="a16" elementType="C" x3="1.388455" y3="-3.403035" z3="0.115038"></atom>
<atom id="a17" elementType="H" x3="1.079981" y3="-4.164042" z3="0.818325"></atom>
<atom id="a18" elementType="H" x3="2.132749" y3="-2.773838" z3="0.586263"></atom>
<atom id="a19" elementType="H" x3="1.817187" y3="-3.858662" z3="-0.762401"></atom>
<atom id="a20" elementType="C" x3="1.539781" y3="-0.862268" z3="-1.514352"></atom>
<atom id="a21" elementType="C" x3="-3.500215" y3="-0.460149" z3="-0.757288"></atom>
<atom id="a22" elementType="O" x3="-4.570581" y3="-1.009870" z3="-0.637110"></atom>
<atom id="a23" elementType="O" x3="1.776363" y3="0.303211" z3="-1.724380"></atom>
<atom id="a24" elementType="C" x3="2.006668" y3="0.235626" z3="1.371815"></atom>
<atom id="a25" elementType="C" x3="-0.392820" y3="0.877744" z3="1.107160"></atom>
<atom id="a26" elementType="C" x3="1.426483" y3="2.497262" z3="0.420491"></atom>
<atom id="a27" elementType="C" x3="-0.014182" y3="2.274983" z3="0.670347"></atom>
<atom id="a28" elementType="C" x3="2.329549" y3="1.565482" z3="0.709337"></atom>
<atom id="a29" elementType="C" x3="0.691331" y3="0.060569" z3="1.685215"></atom>
<atom id="a30" elementType="O" x3="2.962424" y3="-0.558474" z3="1.551984"></atom>
<atom id="a31" elementType="O" x3="-0.840727" y3="3.120047" z3="0.418417"></atom>
<atom id="a32" elementType="Cl" x3="0.281496" y3="-1.314673" z3="2.683549"></atom>
<atom id="a33" elementType="C" x3="1.752694" y3="3.747211" z3="-0.170446"></atom>
<atom id="a34" elementType="C" x3="3.711275" y3="1.750665" z3="0.416420"></atom>
<atom id="a35" elementType="N" x3="4.815671" y3="1.888344" z3="0.173744"></atom>
<atom id="a36" elementType="N" x3="1.996041" y3="4.754704" z3="-0.643241"></atom>
<atom id="a37" elementType="O" x3="2.416871" y3="-1.831856" z3="-1.760297"></atom>
<atom id="a38" elementType="O" x3="-3.385460" y3="0.855158" z3="-0.898903"></atom>
<atom id="a39" elementType="C" x3="-4.575250" y3="1.719005" z3="-0.770214"></atom>
<atom id="a40" elementType="H" x3="-5.305548" y3="1.403624" z3="-1.498351"></atom>
<atom id="a41" elementType="H" x3="-4.974176" y3="1.578356" z3="0.221699"></atom>
<atom id="a42" elementType="C" x3="-4.069696" y3="3.134861" z3="-0.996285"></atom>
<atom id="a43" elementType="H" x3="-3.750674" y3="3.261690" z3="-2.023174"></atom>
<atom id="a44" elementType="H" x3="-3.227795" y3="3.326045" z3="-0.346029"></atom>
<atom id="a45" elementType="H" x3="-4.859922" y3="3.846374" z3="-0.789070"></atom>
<atom id="a46" elementType="C" x3="3.801373" y3="-1.493300" z3="-2.179648"></atom>
<atom id="a47" elementType="H" x3="3.966301" y3="-2.077376" z3="-3.069878"></atom>
<atom id="a48" elementType="H" x3="3.829149" y3="-0.441707" z3="-2.405061"></atom>
<atom id="a49" elementType="C" x3="4.750948" y3="-1.856800" z3="-1.045493"></atom>
<atom id="a50" elementType="H" x3="4.733197" y3="-2.924056" z3="-0.862800"></atom>
<atom id="a51" elementType="H" x3="4.461775" y3="-1.338176" z3="-0.141324"></atom>
<atom id="a52" elementType="H" x3="5.759722" y3="-1.568328" z3="-1.316379"></atom>
<atom id="a53" elementType="Cl" x3="-1.951010" y3="0.856056" z3="1.986601"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364443248e+03</scalar>
<scalar title="Time">2.07463</scalar>
<scalar title="Reaction Coordinate">7</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.975013" y3="-0.702215" z3="-1.260610"></atom>
<atom id="a1" elementType="C" x3="-2.178126" y3="-2.391067" z3="-0.043831"></atom>
<atom id="a2" elementType="C" x3="0.203173" y3="-2.558335" z3="-0.274336"></atom>
<atom id="a3" elementType="N" x3="-0.994146" y3="-3.013001" z3="0.132529"></atom>
<atom id="a4" elementType="C" x3="0.229134" y3="-1.393338" z3="-1.011172"></atom>
<atom id="a5" elementType="C" x3="-2.186709" y3="-1.187473" z3="-0.700763"></atom>
<atom id="a6" elementType="H" x3="-0.694387" y3="0.450150" z3="0.174098"></atom>
<atom id="a7" elementType="H" x3="-0.997443" y3="-3.861073" z3="0.666642"></atom>
<atom id="a8" elementType="C" x3="-1.009833" y3="0.414642" z3="-2.290385"></atom>
<atom id="a9" elementType="H" x3="-1.229943" y3="-0.065835" z3="-3.242984"></atom>
<atom id="a10" elementType="H" x3="-0.061696" y3="0.906433" z3="-2.366594"></atom>
<atom id="a11" elementType="H" x3="-1.787225" y3="1.116150" z3="-2.071406"></atom>
<atom id="a12" elementType="C" x3="-3.382925" y3="-3.129952" z3="0.485727"></atom>
<atom id="a13" elementType="H" x3="-3.941231" y3="-2.507449" z3="1.167798"></atom>
<atom id="a14" elementType="H" x3="-3.071717" y3="-4.031560" z3="0.994943"></atom>
<atom id="a15" elementType="H" x3="-4.045433" y3="-3.380524" z3="-0.328447"></atom>
<atom id="a16" elementType="C" x3="1.390574" y3="-3.397866" z3="0.121970"></atom>
<atom id="a17" elementType="H" x3="1.082810" y3="-4.158428" z3="0.825994"></atom>
<atom id="a18" elementType="H" x3="2.129020" y3="-2.762783" z3="0.595133"></atom>
<atom id="a19" elementType="H" x3="1.826581" y3="-3.853549" z3="-0.751791"></atom>
<atom id="a20" elementType="C" x3="1.538033" y3="-0.864842" z3="-1.520366"></atom>
<atom id="a21" elementType="C" x3="-3.499198" y3="-0.461769" z3="-0.762287"></atom>
<atom id="a22" elementType="O" x3="-4.568874" y3="-1.011077" z3="-0.636376"></atom>
<atom id="a23" elementType="O" x3="1.773872" y3="0.301746" z3="-1.725302"></atom>
<atom id="a24" elementType="C" x3="2.008548" y3="0.235718" z3="1.375154"></atom>
<atom id="a25" elementType="C" x3="-0.392905" y3="0.881810" z3="1.111560"></atom>
<atom id="a26" elementType="C" x3="1.426454" y3="2.500023" z3="0.424692"></atom>
<atom id="a27" elementType="C" x3="-0.014861" y3="2.280673" z3="0.674413"></atom>
<atom id="a28" elementType="C" x3="2.328576" y3="1.566253" z3="0.712237"></atom>
<atom id="a29" elementType="C" x3="0.694208" y3="0.065187" z3="1.692989"></atom>
<atom id="a30" elementType="O" x3="2.965295" y3="-0.560567" z3="1.548537"></atom>
<atom id="a31" elementType="O" x3="-0.840074" y3="3.126808" z3="0.420291"></atom>
<atom id="a32" elementType="Cl" x3="0.280906" y3="-1.316364" z3="2.682338"></atom>
<atom id="a33" elementType="C" x3="1.754258" y3="3.748712" z3="-0.168748"></atom>
<atom id="a34" elementType="C" x3="3.709533" y3="1.750270" z3="0.416649"></atom>
<atom id="a35" elementType="N" x3="4.813719" y3="1.887668" z3="0.173214"></atom>
<atom id="a36" elementType="N" x3="1.996801" y3="4.755139" z3="-0.644353"></atom>
<atom id="a37" elementType="O" x3="2.417383" y3="-1.832462" z3="-1.761971"></atom>
<atom id="a38" elementType="O" x3="-3.384503" y3="0.854106" z3="-0.900953"></atom>
<atom id="a39" elementType="C" x3="-4.574261" y3="1.719280" z3="-0.769151"></atom>
<atom id="a40" elementType="H" x3="-5.306017" y3="1.404339" z3="-1.496011"></atom>
<atom id="a41" elementType="H" x3="-4.970859" y3="1.578233" z3="0.223580"></atom>
<atom id="a42" elementType="C" x3="-4.068572" y3="3.135246" z3="-0.995763"></atom>
<atom id="a43" elementType="H" x3="-3.751914" y3="3.262539" z3="-2.023316"></atom>
<atom id="a44" elementType="H" x3="-3.225263" y3="3.325950" z3="-0.347160"></atom>
<atom id="a45" elementType="H" x3="-4.858164" y3="3.846826" z3="-0.786312"></atom>
<atom id="a46" elementType="C" x3="3.802028" y3="-1.493624" z3="-2.178956"></atom>
<atom id="a47" elementType="H" x3="3.968475" y3="-2.077970" z3="-3.068743"></atom>
<atom id="a48" elementType="H" x3="3.829954" y3="-0.442060" z3="-2.404623"></atom>
<atom id="a49" elementType="C" x3="4.749568" y3="-1.856398" z3="-1.043078"></atom>
<atom id="a50" elementType="H" x3="4.734756" y3="-2.924057" z3="-0.862408"></atom>
<atom id="a51" elementType="H" x3="4.456366" y3="-1.340080" z3="-0.138909"></atom>
<atom id="a52" elementType="H" x3="5.758125" y3="-1.564218" z3="-1.310751"></atom>
<atom id="a53" elementType="Cl" x3="-1.952176" y3="0.860908" z3="1.994819"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364444832e+03</scalar>
<scalar title="Time">2.37368</scalar>
<scalar title="Reaction Coordinate">8</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.977649" y3="-0.713443" z3="-1.277562"></atom>
<atom id="a1" elementType="C" x3="-2.178310" y3="-2.394129" z3="-0.047203"></atom>
<atom id="a2" elementType="C" x3="0.202886" y3="-2.561298" z3="-0.278207"></atom>
<atom id="a3" elementType="N" x3="-0.993993" y3="-3.014004" z3="0.132601"></atom>
<atom id="a4" elementType="C" x3="0.226344" y3="-1.402164" z3="-1.025270"></atom>
<atom id="a5" elementType="C" x3="-2.187699" y3="-1.194576" z3="-0.713352"></atom>
<atom id="a6" elementType="H" x3="-0.695110" y3="0.450857" z3="0.181050"></atom>
<atom id="a7" elementType="H" x3="-0.995957" y3="-3.856908" z3="0.674941"></atom>
<atom id="a8" elementType="C" x3="-1.010027" y3="0.414628" z3="-2.294635"></atom>
<atom id="a9" elementType="H" x3="-1.234884" y3="-0.050505" z3="-3.253627"></atom>
<atom id="a10" elementType="H" x3="-0.059976" y3="0.903414" z3="-2.365864"></atom>
<atom id="a11" elementType="H" x3="-1.783507" y3="1.116892" z3="-2.063911"></atom>
<atom id="a12" elementType="C" x3="-3.382186" y3="-3.128033" z3="0.491573"></atom>
<atom id="a13" elementType="H" x3="-3.934924" y3="-2.501468" z3="1.174589"></atom>
<atom id="a14" elementType="H" x3="-3.070674" y3="-4.028741" z3="1.002166"></atom>
<atom id="a15" elementType="H" x3="-4.049757" y3="-3.379351" z3="-0.318130"></atom>
<atom id="a16" elementType="C" x3="1.392834" y3="-3.392049" z3="0.129287"></atom>
<atom id="a17" elementType="H" x3="1.085547" y3="-4.151326" z3="0.834866"></atom>
<atom id="a18" elementType="H" x3="2.124562" y3="-2.750132" z3="0.604247"></atom>
<atom id="a19" elementType="H" x3="1.837199" y3="-3.848689" z3="-0.739648"></atom>
<atom id="a20" elementType="C" x3="1.536267" y3="-0.868323" z3="-1.527072"></atom>
<atom id="a21" elementType="C" x3="-3.498631" y3="-0.464077" z3="-0.767838"></atom>
<atom id="a22" elementType="O" x3="-4.567884" y3="-1.012396" z3="-0.635822"></atom>
<atom id="a23" elementType="O" x3="1.771040" y3="0.299474" z3="-1.726385"></atom>
<atom id="a24" elementType="C" x3="2.009637" y3="0.236454" z3="1.378290"></atom>
<atom id="a25" elementType="C" x3="-0.393209" y3="0.885654" z3="1.116537"></atom>
<atom id="a26" elementType="C" x3="1.426509" y3="2.502861" z3="0.429045"></atom>
<atom id="a27" elementType="C" x3="-0.015279" y3="2.285781" z3="0.678741"></atom>
<atom id="a28" elementType="C" x3="2.327782" y3="1.567489" z3="0.715398"></atom>
<atom id="a29" elementType="C" x3="0.696324" y3="0.069826" z3="1.700755"></atom>
<atom id="a30" elementType="O" x3="2.966794" y3="-0.562234" z3="1.544843"></atom>
<atom id="a31" elementType="O" x3="-0.839079" y3="3.133130" z3="0.423097"></atom>
<atom id="a32" elementType="Cl" x3="0.280179" y3="-1.318069" z3="2.681082"></atom>
<atom id="a33" elementType="C" x3="1.755715" y3="3.750305" z3="-0.166743"></atom>
<atom id="a34" elementType="C" x3="3.708047" y3="1.750252" z3="0.417086"></atom>
<atom id="a35" elementType="N" x3="4.811959" y3="1.886918" z3="0.172320"></atom>
<atom id="a36" elementType="N" x3="1.997817" y3="4.755425" z3="-0.645408"></atom>
<atom id="a37" elementType="O" x3="2.418204" y3="-1.833788" z3="-1.764592"></atom>
<atom id="a38" elementType="O" x3="-3.383255" y3="0.852334" z3="-0.903477"></atom>
<atom id="a39" elementType="C" x3="-4.572566" y3="1.719005" z3="-0.767874"></atom>
<atom id="a40" elementType="H" x3="-5.306259" y3="1.404694" z3="-1.493049"></atom>
<atom id="a41" elementType="H" x3="-4.966372" y3="1.577494" z3="0.225844"></atom>
<atom id="a42" elementType="C" x3="-4.067124" y3="3.135198" z3="-0.995090"></atom>
<atom id="a43" elementType="H" x3="-3.753191" y3="3.263160" z3="-2.023386"></atom>
<atom id="a44" elementType="H" x3="-3.222328" y3="3.325722" z3="-0.348340"></atom>
<atom id="a45" elementType="H" x3="-4.856294" y3="3.846539" z3="-0.783146"></atom>
<atom id="a46" elementType="C" x3="3.803223" y3="-1.493796" z3="-2.178257"></atom>
<atom id="a47" elementType="H" x3="3.972012" y3="-2.077923" z3="-3.067760"></atom>
<atom id="a48" elementType="H" x3="3.830897" y3="-0.442147" z3="-2.403665"></atom>
<atom id="a49" elementType="C" x3="4.748296" y3="-1.855915" z3="-1.040297"></atom>
<atom id="a50" elementType="H" x3="4.736105" y3="-2.923945" z3="-0.861529"></atom>
<atom id="a51" elementType="H" x3="4.450975" y3="-1.341740" z3="-0.136285"></atom>
<atom id="a52" elementType="H" x3="5.756775" y3="-1.560323" z3="-1.304510"></atom>
<atom id="a53" elementType="Cl" x3="-1.952863" y3="0.866433" z3="2.003740"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364446210e+03</scalar>
<scalar title="Time">2.673</scalar>
<scalar title="Reaction Coordinate">9</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.979980" y3="-0.722953" z3="-1.292883"></atom>
<atom id="a1" elementType="C" x3="-2.178532" y3="-2.397158" z3="-0.051344"></atom>
<atom id="a2" elementType="C" x3="0.202536" y3="-2.564091" z3="-0.282577"></atom>
<atom id="a3" elementType="N" x3="-0.993821" y3="-3.014985" z3="0.131904"></atom>
<atom id="a4" elementType="C" x3="0.223715" y3="-1.410327" z3="-1.038799"></atom>
<atom id="a5" elementType="C" x3="-2.188827" y3="-1.201333" z3="-0.725621"></atom>
<atom id="a6" elementType="H" x3="-0.696677" y3="0.451476" z3="0.188113"></atom>
<atom id="a7" elementType="H" x3="-0.994436" y3="-3.852550" z3="0.682679"></atom>
<atom id="a8" elementType="C" x3="-1.010541" y3="0.413971" z3="-2.300103"></atom>
<atom id="a9" elementType="H" x3="-1.241092" y3="-0.038965" z3="-3.263547"></atom>
<atom id="a10" elementType="H" x3="-0.058581" y3="0.899204" z3="-2.368505"></atom>
<atom id="a11" elementType="H" x3="-1.779728" y3="1.117419" z3="-2.058799"></atom>
<atom id="a12" elementType="C" x3="-3.381202" y3="-3.125723" z3="0.497724"></atom>
<atom id="a13" elementType="H" x3="-3.927430" y3="-2.494545" z3="1.181884"></atom>
<atom id="a14" elementType="H" x3="-3.069039" y3="-4.025217" z3="1.010025"></atom>
<atom id="a15" elementType="H" x3="-4.054760" y3="-3.378178" z3="-0.306521"></atom>
<atom id="a16" elementType="C" x3="1.395061" y3="-3.385636" z3="0.136660"></atom>
<atom id="a17" elementType="H" x3="1.088149" y3="-4.143004" z3="0.844406"></atom>
<atom id="a18" elementType="H" x3="2.119803" y3="-2.736424" z3="0.613079"></atom>
<atom id="a19" elementType="H" x3="1.848085" y3="-3.843908" z3="-0.726848"></atom>
<atom id="a20" elementType="C" x3="1.534613" y3="-0.872455" z3="-1.534114"></atom>
<atom id="a21" elementType="C" x3="-3.498440" y3="-0.466900" z3="-0.773650"></atom>
<atom id="a22" elementType="O" x3="-4.567509" y3="-1.013848" z3="-0.635617"></atom>
<atom id="a23" elementType="O" x3="1.768126" y3="0.296539" z3="-1.727788"></atom>
<atom id="a24" elementType="C" x3="2.009991" y3="0.237693" z3="1.381194"></atom>
<atom id="a25" elementType="C" x3="-0.393750" y3="0.889224" z3="1.121793"></atom>
<atom id="a26" elementType="C" x3="1.426613" y3="2.505692" z3="0.433439"></atom>
<atom id="a27" elementType="C" x3="-0.015476" y3="2.290291" z3="0.683294"></atom>
<atom id="a28" elementType="C" x3="2.327155" y3="1.569063" z3="0.718724"></atom>
<atom id="a29" elementType="C" x3="0.697697" y3="0.074381" z3="1.708272"></atom>
<atom id="a30" elementType="O" x3="2.967046" y3="-0.563602" z3="1.541067"></atom>
<atom id="a31" elementType="O" x3="-0.837912" y3="3.138926" z3="0.426806"></atom>
<atom id="a32" elementType="Cl" x3="0.279303" y3="-1.319715" z3="2.679812"></atom>
<atom id="a33" elementType="C" x3="1.756990" y3="3.751953" z3="-0.164558"></atom>
<atom id="a34" elementType="C" x3="3.706813" y3="1.750502" z3="0.417726"></atom>
<atom id="a35" elementType="N" x3="4.810394" y3="1.886128" z3="0.171104"></atom>
<atom id="a36" elementType="N" x3="1.999084" y3="4.755617" z3="-0.646334"></atom>
<atom id="a37" elementType="O" x3="2.419208" y3="-1.835781" z3="-1.768226"></atom>
<atom id="a38" elementType="O" x3="-3.381811" y3="0.849904" z3="-0.906511"></atom>
<atom id="a39" elementType="C" x3="-4.570250" y3="1.718164" z3="-0.766397"></atom>
<atom id="a40" elementType="H" x3="-5.306378" y3="1.404702" z3="-1.489465"></atom>
<atom id="a41" elementType="H" x3="-4.960787" y3="1.576130" z3="0.228488"></atom>
<atom id="a42" elementType="C" x3="-4.065293" y3="3.134616" z3="-0.994263"></atom>
<atom id="a43" elementType="H" x3="-3.754373" y3="3.263378" z3="-2.023367"></atom>
<atom id="a44" elementType="H" x3="-3.218933" y3="3.325142" z3="-0.349538"></atom>
<atom id="a45" elementType="H" x3="-4.854147" y3="3.845524" z3="-0.779613"></atom>
<atom id="a46" elementType="C" x3="3.804893" y3="-1.493821" z3="-2.177556"></atom>
<atom id="a47" elementType="H" x3="3.976819" y3="-2.077224" z3="-3.066936"></atom>
<atom id="a48" elementType="H" x3="3.831935" y3="-0.441969" z3="-2.402188"></atom>
<atom id="a49" elementType="C" x3="4.747121" y3="-1.855358" z3="-1.037176"></atom>
<atom id="a50" elementType="H" x3="4.737234" y3="-2.923711" z3="-0.860143"></atom>
<atom id="a51" elementType="H" x3="4.445675" y3="-1.343104" z3="-0.133478"></atom>
<atom id="a52" elementType="H" x3="5.755637" y3="-1.556676" z3="-1.297763"></atom>
<atom id="a53" elementType="Cl" x3="-1.953086" y3="0.872600" z3="2.013279"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364447434e+03</scalar>
<scalar title="Time">2.97248</scalar>
<scalar title="Reaction Coordinate">10</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.982101" y3="-0.731218" z3="-1.307024"></atom>
<atom id="a1" elementType="C" x3="-2.178750" y3="-2.400072" z3="-0.055808"></atom>
<atom id="a2" elementType="C" x3="0.202183" y3="-2.566589" z3="-0.287083"></atom>
<atom id="a3" elementType="N" x3="-0.993640" y3="-3.015983" z3="0.130490"></atom>
<atom id="a4" elementType="C" x3="0.221388" y3="-1.417785" z3="-1.051464"></atom>
<atom id="a5" elementType="C" x3="-2.190034" y3="-1.207710" z3="-0.737259"></atom>
<atom id="a6" elementType="H" x3="-0.699089" y3="0.452462" z3="0.195059"></atom>
<atom id="a7" elementType="H" x3="-0.992960" y3="-3.848409" z3="0.688999"></atom>
<atom id="a8" elementType="C" x3="-1.011325" y3="0.412439" z3="-2.306494"></atom>
<atom id="a9" elementType="H" x3="-1.248236" y3="-0.030724" z3="-3.272767"></atom>
<atom id="a10" elementType="H" x3="-0.057453" y3="0.893905" z3="-2.374187"></atom>
<atom id="a11" elementType="H" x3="-1.776261" y3="1.117609" z3="-2.056365"></atom>
<atom id="a12" elementType="C" x3="-3.379983" y3="-3.123058" z3="0.504003"></atom>
<atom id="a13" elementType="H" x3="-3.919157" y3="-2.487056" z3="1.189468"></atom>
<atom id="a14" elementType="H" x3="-3.066980" y3="-4.021224" z3="1.018100"></atom>
<atom id="a15" elementType="H" x3="-4.060026" y3="-3.376739" z3="-0.294269"></atom>
<atom id="a16" elementType="C" x3="1.397174" y3="-3.378775" z3="0.143817"></atom>
<atom id="a17" elementType="H" x3="1.090688" y3="-4.133811" z3="0.854203"></atom>
<atom id="a18" elementType="H" x3="2.114997" y3="-2.722243" z3="0.621157"></atom>
<atom id="a19" elementType="H" x3="1.858597" y3="-3.839061" z3="-0.714032"></atom>
<atom id="a20" elementType="C" x3="1.533178" y3="-0.876948" z3="-1.541292"></atom>
<atom id="a21" elementType="C" x3="-3.498516" y3="-0.470103" z3="-0.779530"></atom>
<atom id="a22" elementType="O" x3="-4.567548" y3="-1.015443" z3="-0.635859"></atom>
<atom id="a23" elementType="O" x3="1.765358" y3="0.293140" z3="-1.729614"></atom>
<atom id="a24" elementType="C" x3="2.009721" y3="0.239205" z3="1.383869"></atom>
<atom id="a25" elementType="C" x3="-0.394553" y3="0.892649" z3="1.127130"></atom>
<atom id="a26" elementType="C" x3="1.426737" y3="2.508483" z3="0.437786"></atom>
<atom id="a27" elementType="C" x3="-0.015547" y3="2.294345" z3="0.688033"></atom>
<atom id="a28" elementType="C" x3="2.326638" y3="1.570837" z3="0.722121"></atom>
<atom id="a29" elementType="C" x3="0.698460" y3="0.078698" z3="1.715319"></atom>
<atom id="a30" elementType="O" x3="2.966271" y3="-0.564782" z3="1.537351"></atom>
<atom id="a31" elementType="O" x3="-0.836707" y3="3.144273" z3="0.431337"></atom>
<atom id="a32" elementType="Cl" x3="0.278259" y3="-1.321256" z3="2.678546"></atom>
<atom id="a33" elementType="C" x3="1.758078" y3="3.753628" z3="-0.162276"></atom>
<atom id="a34" elementType="C" x3="3.705781" y3="1.750897" z3="0.418519"></atom>
<atom id="a35" elementType="N" x3="4.808976" y3="1.885316" z3="0.169643"></atom>
<atom id="a36" elementType="N" x3="2.000562" y3="4.755761" z3="-0.647071"></atom>
<atom id="a37" elementType="O" x3="2.420258" y3="-1.838271" z3="-1.772806"></atom>
<atom id="a38" elementType="O" x3="-3.380249" y3="0.846962" z3="-0.910042"></atom>
<atom id="a39" elementType="C" x3="-4.567485" y3="1.716834" z3="-0.764736"></atom>
<atom id="a40" elementType="H" x3="-5.306493" y3="1.404430" z3="-1.485320"></atom>
<atom id="a41" elementType="H" x3="-4.954267" y3="1.574196" z3="0.231501"></atom>
<atom id="a42" elementType="C" x3="-4.063046" y3="3.133490" z3="-0.993280"></atom>
<atom id="a43" elementType="H" x3="-3.755349" y3="3.263090" z3="-2.023244"></atom>
<atom id="a44" elementType="H" x3="-3.215017" y3="3.324032" z3="-0.350722"></atom>
<atom id="a45" elementType="H" x3="-4.851552" y3="3.843946" z3="-0.775762"></atom>
<atom id="a46" elementType="C" x3="3.806911" y3="-1.493736" z3="-2.176871"></atom>
<atom id="a47" elementType="H" x3="3.982657" y3="-2.076012" z3="-3.066241"></atom>
<atom id="a48" elementType="H" x3="3.833048" y3="-0.441596" z3="-2.400325"></atom>
<atom id="a49" elementType="C" x3="4.745970" y3="-1.854738" z3="-1.033766"></atom>
<atom id="a50" elementType="H" x3="4.738104" y3="-2.923365" z3="-0.858272"></atom>
<atom id="a51" elementType="H" x3="4.440454" y3="-1.344182" z3="-0.130515"></atom>
<atom id="a52" elementType="H" x3="5.754619" y3="-1.553281" z3="-1.290642"></atom>
<atom id="a53" elementType="Cl" x3="-1.952911" y3="0.879369" z3="2.023373"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364448533e+03</scalar>
<scalar title="Time">3.27211</scalar>
<scalar title="Reaction Coordinate">11</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.983974" y3="-0.738732" z3="-1.320038"></atom>
<atom id="a1" elementType="C" x3="-2.178883" y3="-2.402791" z3="-0.060258"></atom>
<atom id="a2" elementType="C" x3="0.201878" y3="-2.568703" z3="-0.291457"></atom>
<atom id="a3" elementType="N" x3="-0.993448" y3="-3.017045" z3="0.128559"></atom>
<atom id="a4" elementType="C" x3="0.219301" y3="-1.424491" z3="-1.063221"></atom>
<atom id="a5" elementType="C" x3="-2.191129" y3="-1.213625" z3="-0.748137"></atom>
<atom id="a6" elementType="H" x3="-0.702623" y3="0.453509" z3="0.202044"></atom>
<atom id="a7" elementType="H" x3="-0.991593" y3="-3.845092" z3="0.693742"></atom>
<atom id="a8" elementType="C" x3="-1.012406" y3="0.410063" z3="-2.313901"></atom>
<atom id="a9" elementType="H" x3="-1.256493" y3="-0.025776" z3="-3.281761"></atom>
<atom id="a10" elementType="H" x3="-0.056677" y3="0.887528" z3="-2.382731"></atom>
<atom id="a11" elementType="H" x3="-1.772659" y3="1.117510" z3="-2.055465"></atom>
<atom id="a12" elementType="C" x3="-3.378580" y3="-3.120145" z3="0.510262"></atom>
<atom id="a13" elementType="H" x3="-3.910352" y3="-2.479285" z3="1.197151"></atom>
<atom id="a14" elementType="H" x3="-3.064724" y3="-4.017010" z3="1.026074"></atom>
<atom id="a15" elementType="H" x3="-4.065328" y3="-3.374860" z3="-0.281741"></atom>
<atom id="a16" elementType="C" x3="1.399181" y3="-3.371710" z3="0.150563"></atom>
<atom id="a17" elementType="H" x3="1.093199" y3="-4.124169" z3="0.863841"></atom>
<atom id="a18" elementType="H" x3="2.110399" y3="-2.707974" z3="0.628463"></atom>
<atom id="a19" elementType="H" x3="1.868583" y3="-3.834234" z3="-0.701703"></atom>
<atom id="a20" elementType="C" x3="1.532001" y3="-0.881566" z3="-1.548479"></atom>
<atom id="a21" elementType="C" x3="-3.498725" y3="-0.473570" z3="-0.785417"></atom>
<atom id="a22" elementType="O" x3="-4.567863" y3="-1.017205" z3="-0.636621"></atom>
<atom id="a23" elementType="O" x3="1.762912" y3="0.289518" z3="-1.731911"></atom>
<atom id="a24" elementType="C" x3="2.008950" y3="0.240839" z3="1.386296"></atom>
<atom id="a25" elementType="C" x3="-0.395627" y3="0.895933" z3="1.132452"></atom>
<atom id="a26" elementType="C" x3="1.426839" y3="2.511195" z3="0.442025"></atom>
<atom id="a27" elementType="C" x3="-0.015542" y3="2.298062" z3="0.692896"></atom>
<atom id="a28" elementType="C" x3="2.326153" y3="1.572679" z3="0.725478"></atom>
<atom id="a29" elementType="C" x3="0.698616" y3="0.082757" z3="1.721715"></atom>
<atom id="a30" elementType="O" x3="2.964724" y3="-0.565906" z3="1.533797"></atom>
<atom id="a31" elementType="O" x3="-0.835571" y3="3.149276" z3="0.436585"></atom>
<atom id="a32" elementType="Cl" x3="0.277021" y3="-1.322651" z3="2.677287"></atom>
<atom id="a33" elementType="C" x3="1.759008" y3="3.755305" z3="-0.159937"></atom>
<atom id="a34" elementType="C" x3="3.704882" y3="1.751326" z3="0.419413"></atom>
<atom id="a35" elementType="N" x3="4.807639" y3="1.884490" z3="0.168031"></atom>
<atom id="a36" elementType="N" x3="2.002200" y3="4.755899" z3="-0.647581"></atom>
<atom id="a37" elementType="O" x3="2.421307" y3="-1.841094" z3="-1.778210"></atom>
<atom id="a38" elementType="O" x3="-3.378637" y3="0.843652" z3="-0.913990"></atom>
<atom id="a39" elementType="C" x3="-4.564395" y3="1.715094" z3="-0.762914"></atom>
<atom id="a40" elementType="H" x3="-5.306643" y3="1.403947" z3="-1.480686"></atom>
<atom id="a41" elementType="H" x3="-4.947000" y3="1.571776" z3="0.234798"></atom>
<atom id="a42" elementType="C" x3="-4.060368" y3="3.131852" z3="-0.992145"></atom>
<atom id="a43" elementType="H" x3="-3.756044" y3="3.262269" z3="-2.023005"></atom>
<atom id="a44" elementType="H" x3="-3.210572" y3="3.322300" z3="-0.351884"></atom>
<atom id="a45" elementType="H" x3="-4.848377" y3="3.841957" z3="-0.771633"></atom>
<atom id="a46" elementType="C" x3="3.809163" y3="-1.493599" z3="-2.176237"></atom>
<atom id="a47" elementType="H" x3="3.989263" y3="-2.074480" z3="-3.065629"></atom>
<atom id="a48" elementType="H" x3="3.834214" y3="-0.441124" z3="-2.398261"></atom>
<atom id="a49" elementType="C" x3="4.744750" y3="-1.854070" z3="-1.030123"></atom>
<atom id="a50" elementType="H" x3="4.738638" y3="-2.922938" z3="-0.855958"></atom>
<atom id="a51" elementType="H" x3="4.435204" y3="-1.344987" z3="-0.127454"></atom>
<atom id="a52" elementType="H" x3="5.753627" y3="-1.550134" z3="-1.283243"></atom>
<atom id="a53" elementType="Cl" x3="-1.952392" y3="0.886702" z3="2.033981"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364449532e+03</scalar>
<scalar title="Time">3.57175</scalar>
<scalar title="Reaction Coordinate">12</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.985671" y3="-0.745600" z3="-1.332261"></atom>
<atom id="a1" elementType="C" x3="-2.178913" y3="-2.405331" z3="-0.064529"></atom>
<atom id="a2" elementType="C" x3="0.201666" y3="-2.570515" z3="-0.295614"></atom>
<atom id="a3" elementType="N" x3="-0.993151" y3="-3.018134" z3="0.126319"></atom>
<atom id="a4" elementType="C" x3="0.217543" y3="-1.430521" z3="-1.074044"></atom>
<atom id="a5" elementType="C" x3="-2.192131" y3="-1.219229" z3="-0.758225"></atom>
<atom id="a6" elementType="H" x3="-0.706851" y3="0.454993" z3="0.208872"></atom>
<atom id="a7" elementType="H" x3="-0.990179" y3="-3.842173" z3="0.697344"></atom>
<atom id="a8" elementType="C" x3="-1.013701" y3="0.406708" z3="-2.322041"></atom>
<atom id="a9" elementType="H" x3="-1.266042" y3="-0.023026" z3="-3.290364"></atom>
<atom id="a10" elementType="H" x3="-0.056065" y3="0.879898" z3="-2.393809"></atom>
<atom id="a11" elementType="H" x3="-1.768854" y3="1.116786" z3="-2.056148"></atom>
<atom id="a12" elementType="C" x3="-3.377037" y3="-3.117075" z3="0.516412"></atom>
<atom id="a13" elementType="H" x3="-3.901354" y3="-2.471529" z3="1.204831"></atom>
<atom id="a14" elementType="H" x3="-3.062367" y3="-4.012765" z3="1.033747"></atom>
<atom id="a15" elementType="H" x3="-4.070459" y3="-3.372570" z3="-0.269354"></atom>
<atom id="a16" elementType="C" x3="1.401106" y3="-3.364627" z3="0.156761"></atom>
<atom id="a17" elementType="H" x3="1.095756" y3="-4.114428" z3="0.873064"></atom>
<atom id="a18" elementType="H" x3="2.106147" y3="-2.694081" z3="0.634735"></atom>
<atom id="a19" elementType="H" x3="1.877759" y3="-3.829382" z3="-0.690158"></atom>
<atom id="a20" elementType="C" x3="1.531070" y3="-0.886103" z3="-1.555624"></atom>
<atom id="a21" elementType="C" x3="-3.498966" y3="-0.477196" z3="-0.791270"></atom>
<atom id="a22" elementType="O" x3="-4.568256" y3="-1.019140" z3="-0.637923"></atom>
<atom id="a23" elementType="O" x3="1.760831" y3="0.285829" z3="-1.734659"></atom>
<atom id="a24" elementType="C" x3="2.007787" y3="0.242440" z3="1.388465"></atom>
<atom id="a25" elementType="C" x3="-0.396957" y3="0.899172" z3="1.137710"></atom>
<atom id="a26" elementType="C" x3="1.426879" y3="2.513787" z3="0.446109"></atom>
<atom id="a27" elementType="C" x3="-0.015561" y3="2.301541" z3="0.697815"></atom>
<atom id="a28" elementType="C" x3="2.325639" y3="1.574467" z3="0.728713"></atom>
<atom id="a29" elementType="C" x3="0.698336" y3="0.086457" z3="1.727447"></atom>
<atom id="a30" elementType="O" x3="2.962587" y3="-0.567005" z3="1.530471"></atom>
<atom id="a31" elementType="O" x3="-0.834535" y3="3.154079" z3="0.442421"></atom>
<atom id="a32" elementType="Cl" x3="0.275566" y3="-1.323874" z3="2.676035"></atom>
<atom id="a33" elementType="C" x3="1.759818" y3="3.756951" z3="-0.157567"></atom>
<atom id="a34" elementType="C" x3="3.704017" y3="1.751717" z3="0.420329"></atom>
<atom id="a35" elementType="N" x3="4.806323" y3="1.883643" z3="0.166357"></atom>
<atom id="a36" elementType="N" x3="2.003942" y3="4.756052" z3="-0.647828"></atom>
<atom id="a37" elementType="O" x3="2.422285" y3="-1.844074" z3="-1.784247"></atom>
<atom id="a38" elementType="O" x3="-3.376988" y3="0.840077" z3="-0.918255"></atom>
<atom id="a39" elementType="C" x3="-4.561104" y3="1.713055" z3="-0.760970"></atom>
<atom id="a40" elementType="H" x3="-5.306850" y3="1.403349" z3="-1.475716"></atom>
<atom id="a41" elementType="H" x3="-4.939240" y3="1.568994" z3="0.238315"></atom>
<atom id="a42" elementType="C" x3="-4.057283" y3="3.129797" z3="-0.990872"></atom>
<atom id="a43" elementType="H" x3="-3.756391" y3="3.260962" z3="-2.022642"></atom>
<atom id="a44" elementType="H" x3="-3.205631" y3="3.319967" z3="-0.352981"></atom>
<atom id="a45" elementType="H" x3="-4.844610" y3="3.839725" z3="-0.767294"></atom>
<atom id="a46" elementType="C" x3="3.811531" y3="-1.493473" z3="-2.175695"></atom>
<atom id="a47" elementType="H" x3="3.996349" y3="-2.072870" z3="-3.065065"></atom>
<atom id="a48" elementType="H" x3="3.835453" y3="-0.440656" z3="-2.396219"></atom>
<atom id="a49" elementType="C" x3="4.743372" y3="-1.853376" z3="-1.026317"></atom>
<atom id="a50" elementType="H" x3="4.738822" y3="-2.922441" z3="-0.853279"></atom>
<atom id="a51" elementType="H" x3="4.429815" y3="-1.345563" z3="-0.124359"></atom>
<atom id="a52" elementType="H" x3="5.752549" y3="-1.547196" z3="-1.275591"></atom>
<atom id="a53" elementType="Cl" x3="-1.951597" y3="0.894550" z3="2.045054"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364450446e+03</scalar>
<scalar title="Time">3.87145</scalar>
<scalar title="Reaction Coordinate">13</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.987103" y3="-0.752074" z3="-1.343688"></atom>
<atom id="a1" elementType="C" x3="-2.178783" y3="-2.407693" z3="-0.068500"></atom>
<atom id="a2" elementType="C" x3="0.201607" y3="-2.572018" z3="-0.299502"></atom>
<atom id="a3" elementType="N" x3="-0.992726" y3="-3.019224" z3="0.123979"></atom>
<atom id="a4" elementType="C" x3="0.216093" y3="-1.435961" z3="-1.084018"></atom>
<atom id="a5" elementType="C" x3="-2.192959" y3="-1.224507" z3="-0.767537"></atom>
<atom id="a6" elementType="H" x3="-0.711971" y3="0.456853" z3="0.215639"></atom>
<atom id="a7" elementType="H" x3="-0.988671" y3="-3.839632" z3="0.700227"></atom>
<atom id="a8" elementType="C" x3="-1.015244" y3="0.402470" z3="-2.330958"></atom>
<atom id="a9" elementType="H" x3="-1.276251" y3="-0.022822" z3="-3.298923"></atom>
<atom id="a10" elementType="H" x3="-0.055742" y3="0.871036" z3="-2.406554"></atom>
<atom id="a11" elementType="H" x3="-1.765184" y3="1.115896" z3="-2.058310"></atom>
<atom id="a12" elementType="C" x3="-3.375369" y3="-3.113964" z3="0.522374"></atom>
<atom id="a13" elementType="H" x3="-3.892303" y3="-2.463940" z3="1.212369"></atom>
<atom id="a14" elementType="H" x3="-3.059998" y3="-4.008637" z3="1.041027"></atom>
<atom id="a15" elementType="H" x3="-4.075312" y3="-3.369945" z3="-0.257304"></atom>
<atom id="a16" elementType="C" x3="1.403012" y3="-3.357724" z3="0.162314"></atom>
<atom id="a17" elementType="H" x3="1.098376" y3="-4.104906" z3="0.881621"></atom>
<atom id="a18" elementType="H" x3="2.102440" y3="-2.680876" z3="0.640053"></atom>
<atom id="a19" elementType="H" x3="1.886126" y3="-3.824681" z3="-0.679640"></atom>
<atom id="a20" elementType="C" x3="1.530361" y3="-0.890456" z3="-1.562684"></atom>
<atom id="a21" elementType="C" x3="-3.499149" y3="-0.480940" z3="-0.797086"></atom>
<atom id="a22" elementType="O" x3="-4.568644" y3="-1.021260" z3="-0.639782"></atom>
<atom id="a23" elementType="O" x3="1.759112" y3="0.282218" z3="-1.737836"></atom>
<atom id="a24" elementType="C" x3="2.006295" y3="0.243940" z3="1.390362"></atom>
<atom id="a25" elementType="C" x3="-0.398542" y3="0.902397" z3="1.142894"></atom>
<atom id="a26" elementType="C" x3="1.426827" y3="2.516228" z3="0.450001"></atom>
<atom id="a27" elementType="C" x3="-0.015626" y3="2.304876" z3="0.702751"></atom>
<atom id="a28" elementType="C" x3="2.325033" y3="1.576122" z3="0.731740"></atom>
<atom id="a29" elementType="C" x3="0.697621" y3="0.089801" z3="1.732445"></atom>
<atom id="a30" elementType="O" x3="2.960027" y3="-0.568122" z3="1.527414"></atom>
<atom id="a31" elementType="O" x3="-0.833606" y3="3.158798" z3="0.448742"></atom>
<atom id="a32" elementType="Cl" x3="0.273866" y3="-1.324913" z3="2.674791"></atom>
<atom id="a33" elementType="C" x3="1.760534" y3="3.758539" z3="-0.155176"></atom>
<atom id="a34" elementType="C" x3="3.703116" y3="1.752009" z3="0.421210"></atom>
<atom id="a35" elementType="N" x3="4.804972" y3="1.882764" z3="0.164693"></atom>
<atom id="a36" elementType="N" x3="2.005743" y3="4.756231" z3="-0.647781"></atom>
<atom id="a37" elementType="O" x3="2.423190" y3="-1.847087" z3="-1.790754"></atom>
<atom id="a38" elementType="O" x3="-3.375309" y3="0.836342" z3="-0.922720"></atom>
<atom id="a39" elementType="C" x3="-4.557658" y3="1.710796" z3="-0.758946"></atom>
<atom id="a40" elementType="H" x3="-5.307055" y3="1.402680" z3="-1.470539"></atom>
<atom id="a41" elementType="H" x3="-4.931141" y3="1.565920" z3="0.241963"></atom>
<atom id="a42" elementType="C" x3="-4.053818" y3="3.127411" z3="-0.989465"></atom>
<atom id="a43" elementType="H" x3="-3.756363" y3="3.259269" z3="-2.022145"></atom>
<atom id="a44" elementType="H" x3="-3.200252" y3="3.317097" z3="-0.353981"></atom>
<atom id="a45" elementType="H" x3="-4.840266" y3="3.837350" z3="-0.762788"></atom>
<atom id="a46" elementType="C" x3="3.813927" y3="-1.493420" z3="-2.175285"></atom>
<atom id="a47" elementType="H" x3="4.003681" y3="-2.071384" z3="-3.064524"></atom>
<atom id="a48" elementType="H" x3="3.836755" y3="-0.440283" z3="-2.394388"></atom>
<atom id="a49" elementType="C" x3="4.741778" y3="-1.852674" z3="-1.022411"></atom>
<atom id="a50" elementType="H" x3="4.738605" y3="-2.921890" z3="-0.850289"></atom>
<atom id="a51" elementType="H" x3="4.424207" y3="-1.345934" z3="-0.121301"></atom>
<atom id="a52" elementType="H" x3="5.751307" y3="-1.544464" z3="-1.267762"></atom>
<atom id="a53" elementType="Cl" x3="-1.950565" y3="0.902873" z3="2.056563"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364451288e+03</scalar>
<scalar title="Time">4.17113</scalar>
<scalar title="Reaction Coordinate">14</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.988404" y3="-0.758197" z3="-1.354444"></atom>
<atom id="a1" elementType="C" x3="-2.178484" y3="-2.409900" z3="-0.072109"></atom>
<atom id="a2" elementType="C" x3="0.201731" y3="-2.573296" z3="-0.303113"></atom>
<atom id="a3" elementType="N" x3="-0.992091" y3="-3.020243" z3="0.121715"></atom>
<atom id="a4" elementType="C" x3="0.214950" y3="-1.440858" z3="-1.093202"></atom>
<atom id="a5" elementType="C" x3="-2.193587" y3="-1.229555" z3="-0.776150"></atom>
<atom id="a6" elementType="H" x3="-0.717825" y3="0.459008" z3="0.222302"></atom>
<atom id="a7" elementType="H" x3="-0.986991" y3="-3.837442" z3="0.702688"></atom>
<atom id="a8" elementType="C" x3="-1.016944" y3="0.397402" z3="-2.340436"></atom>
<atom id="a9" elementType="H" x3="-1.287669" y3="-0.024543" z3="-3.307081"></atom>
<atom id="a10" elementType="H" x3="-0.055530" y3="0.861170" z3="-2.421618"></atom>
<atom id="a11" elementType="H" x3="-1.761098" y3="1.114465" z3="-2.061359"></atom>
<atom id="a12" elementType="C" x3="-3.373576" y3="-3.110890" z3="0.528101"></atom>
<atom id="a13" elementType="H" x3="-3.883311" y3="-2.456708" z3="1.219659"></atom>
<atom id="a14" elementType="H" x3="-3.057603" y3="-4.004708" z3="1.047839"></atom>
<atom id="a15" elementType="H" x3="-4.079700" y3="-3.367049" z3="-0.245721"></atom>
<atom id="a16" elementType="C" x3="1.404929" y3="-3.351154" z3="0.167157"></atom>
<atom id="a17" elementType="H" x3="1.101078" y3="-4.095822" z3="0.889346"></atom>
<atom id="a18" elementType="H" x3="2.099207" y3="-2.668440" z3="0.644473"></atom>
<atom id="a19" elementType="H" x3="1.893900" y3="-3.820141" z3="-0.670260"></atom>
<atom id="a20" elementType="C" x3="1.529847" y3="-0.894544" z3="-1.569647"></atom>
<atom id="a21" elementType="C" x3="-3.499239" y3="-0.484758" z3="-0.802857"></atom>
<atom id="a22" elementType="O" x3="-4.568936" y3="-1.023558" z3="-0.642197"></atom>
<atom id="a23" elementType="O" x3="1.757695" y3="0.278756" z3="-1.741382"></atom>
<atom id="a24" elementType="C" x3="2.004516" y3="0.245271" z3="1.391982"></atom>
<atom id="a25" elementType="C" x3="-0.400357" y3="0.905649" z3="1.147987"></atom>
<atom id="a26" elementType="C" x3="1.426670" y3="2.518507" z3="0.453670"></atom>
<atom id="a27" elementType="C" x3="-0.015772" y3="2.308125" z3="0.707669"></atom>
<atom id="a28" elementType="C" x3="2.324300" y3="1.577587" z3="0.734498"></atom>
<atom id="a29" elementType="C" x3="0.696544" y3="0.092784" z3="1.736752"></atom>
<atom id="a30" elementType="O" x3="2.957134" y3="-0.569245" z3="1.524633"></atom>
<atom id="a31" elementType="O" x3="-0.832767" y3="3.163513" z3="0.455435"></atom>
<atom id="a32" elementType="Cl" x3="0.271901" y3="-1.325763" z3="2.673557"></atom>
<atom id="a33" elementType="C" x3="1.761169" y3="3.760054" z3="-0.152773"></atom>
<atom id="a34" elementType="C" x3="3.702130" y3="1.752162" z3="0.422005"></atom>
<atom id="a35" elementType="N" x3="4.803551" y3="1.881839" z3="0.163091"></atom>
<atom id="a36" elementType="N" x3="2.007566" y3="4.756448" z3="-0.647423"></atom>
<atom id="a37" elementType="O" x3="2.424006" y3="-1.850040" z3="-1.797557"></atom>
<atom id="a38" elementType="O" x3="-3.373562" y3="0.832503" z3="-0.927276"></atom>
<atom id="a39" elementType="C" x3="-4.554088" y3="1.708386" z3="-0.756893"></atom>
<atom id="a40" elementType="H" x3="-5.307166" y3="1.401979" z3="-1.465302"></atom>
<atom id="a41" elementType="H" x3="-4.922860" y3="1.562639" z3="0.245616"></atom>
<atom id="a42" elementType="C" x3="-4.050018" y3="3.124788" z3="-0.987940"></atom>
<atom id="a43" elementType="H" x3="-3.755932" y3="3.257293" z3="-2.021502"></atom>
<atom id="a44" elementType="H" x3="-3.194529" y3="3.313807" z3="-0.354841"></atom>
<atom id="a45" elementType="H" x3="-4.835430" y3="3.834895" z3="-0.758177"></atom>
<atom id="a46" elementType="C" x3="3.816295" y3="-1.493487" z3="-2.175039"></atom>
<atom id="a47" elementType="H" x3="4.011065" y3="-2.070184" z3="-3.063987"></atom>
<atom id="a48" elementType="H" x3="3.838136" y3="-0.440078" z3="-2.392919"></atom>
<atom id="a49" elementType="C" x3="4.739944" y3="-1.851981" z3="-1.018476"></atom>
<atom id="a50" elementType="H" x3="4.737970" y3="-2.921319" z3="-0.847038"></atom>
<atom id="a51" elementType="H" x3="4.418347" y3="-1.346105" z3="-0.118351"></atom>
<atom id="a52" elementType="H" x3="5.749907" y3="-1.541944" z3="-1.259834"></atom>
<atom id="a53" elementType="Cl" x3="-1.949335" y3="0.911617" z3="2.068457"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364452068e+03</scalar>
<scalar title="Time">4.47087</scalar>
<scalar title="Reaction Coordinate">15</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.989417" y3="-0.764097" z3="-1.364573"></atom>
<atom id="a1" elementType="C" x3="-2.177952" y3="-2.411950" z3="-0.075331"></atom>
<atom id="a2" elementType="C" x3="0.202068" y3="-2.574375" z3="-0.306456"></atom>
<atom id="a3" elementType="N" x3="-0.991237" y3="-3.021167" z3="0.119668"></atom>
<atom id="a4" elementType="C" x3="0.214081" y3="-1.445318" z3="-1.101688"></atom>
<atom id="a5" elementType="C" x3="-2.193995" y3="-1.234373" z3="-0.784105"></atom>
<atom id="a6" elementType="H" x3="-0.724467" y3="0.461604" z3="0.228914"></atom>
<atom id="a7" elementType="H" x3="-0.985103" y3="-3.835338" z3="0.704728"></atom>
<atom id="a8" elementType="C" x3="-1.018835" y3="0.391604" z3="-2.350423"></atom>
<atom id="a9" elementType="H" x3="-1.300001" y3="-0.027970" z3="-3.315143"></atom>
<atom id="a10" elementType="H" x3="-0.055619" y3="0.850242" z3="-2.438267"></atom>
<atom id="a11" elementType="H" x3="-1.756809" y3="1.112871" z3="-2.065238"></atom>
<atom id="a12" elementType="C" x3="-3.371651" y3="-3.107932" z3="0.533562"></atom>
<atom id="a13" elementType="H" x3="-3.874548" y3="-2.449871" z3="1.226688"></atom>
<atom id="a14" elementType="H" x3="-3.055190" y3="-4.001048" z3="1.054194"></atom>
<atom id="a15" elementType="H" x3="-4.083646" y3="-3.364059" z3="-0.234770"></atom>
<atom id="a16" elementType="C" x3="1.406914" y3="-3.345014" z3="0.171282"></atom>
<atom id="a17" elementType="H" x3="1.103895" y3="-4.087455" z3="0.896075"></atom>
<atom id="a18" elementType="H" x3="2.096534" y3="-2.657013" z3="0.648174"></atom>
<atom id="a19" elementType="H" x3="1.901071" y3="-3.815733" z3="-0.662081"></atom>
<atom id="a20" elementType="C" x3="1.529479" y3="-0.898334" z3="-1.576466"></atom>
<atom id="a21" elementType="C" x3="-3.499173" y3="-0.488614" z3="-0.808578"></atom>
<atom id="a22" elementType="O" x3="-4.569113" y3="-1.026027" z3="-0.645154"></atom>
<atom id="a23" elementType="O" x3="1.756505" y3="0.275513" z3="-1.745257"></atom>
<atom id="a24" elementType="C" x3="2.002479" y3="0.246426" z3="1.393327"></atom>
<atom id="a25" elementType="C" x3="-0.402427" y3="0.908944" z3="1.152983"></atom>
<atom id="a26" elementType="C" x3="1.426392" y3="2.520609" z3="0.457095"></atom>
<atom id="a27" elementType="C" x3="-0.016005" y3="2.311320" z3="0.712527"></atom>
<atom id="a28" elementType="C" x3="2.323403" y3="1.578827" z3="0.736945"></atom>
<atom id="a29" elementType="C" x3="0.695116" y3="0.095429" z3="1.740369"></atom>
<atom id="a30" elementType="O" x3="2.954005" y3="-0.570396" z3="1.522127"></atom>
<atom id="a31" elementType="O" x3="-0.831999" y3="3.168279" z3="0.462398"></atom>
<atom id="a32" elementType="Cl" x3="0.269656" y3="-1.326430" z3="2.672336"></atom>
<atom id="a33" elementType="C" x3="1.761736" y3="3.761487" z3="-0.150365"></atom>
<atom id="a34" elementType="C" x3="3.701020" y3="1.752141" z3="0.422683"></atom>
<atom id="a35" elementType="N" x3="4.802043" y3="1.880853" z3="0.161585"></atom>
<atom id="a36" elementType="N" x3="2.009385" y3="4.756716" z3="-0.646748"></atom>
<atom id="a37" elementType="O" x3="2.424742" y3="-1.852867" z3="-1.804513"></atom>
<atom id="a38" elementType="O" x3="-3.371723" y3="0.828614" z3="-0.931806"></atom>
<atom id="a39" elementType="C" x3="-4.550396" y3="1.705880" z3="-0.754863"></atom>
<atom id="a40" elementType="H" x3="-5.307112" y3="1.401270" z3="-1.460140"></atom>
<atom id="a41" elementType="H" x3="-4.914526" y3="1.559203" z3="0.249206"></atom>
<atom id="a42" elementType="C" x3="-4.045925" y3="3.122013" z3="-0.986308"></atom>
<atom id="a43" elementType="H" x3="-3.755082" y3="3.255161" z3="-2.020706"></atom>
<atom id="a44" elementType="H" x3="-3.188553" y3="3.310216" z3="-0.355513"></atom>
<atom id="a45" elementType="H" x3="-4.830200" y3="3.832401" z3="-0.753514"></atom>
<atom id="a46" elementType="C" x3="3.818580" y3="-1.493705" z3="-2.174977"></atom>
<atom id="a47" elementType="H" x3="4.018339" y3="-2.069378" z3="-3.063452"></atom>
<atom id="a48" elementType="H" x3="3.839581" y3="-0.440084" z3="-2.391907"></atom>
<atom id="a49" elementType="C" x3="4.737872" y3="-1.851309" z3="-1.014580"></atom>
<atom id="a50" elementType="H" x3="4.736925" y3="-2.920723" z3="-0.843590"></atom>
<atom id="a51" elementType="H" x3="4.412261" y3="-1.346094" z3="-0.115563"></atom>
<atom id="a52" elementType="H" x3="5.748308" y3="-1.539657" z3="-1.251905"></atom>
<atom id="a53" elementType="Cl" x3="-1.947941" y3="0.920728" z3="2.080702"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364452794e+03</scalar>
<scalar title="Time">4.7706</scalar>
<scalar title="Reaction Coordinate">16</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.990250" y3="-0.769777" z3="-1.374147"></atom>
<atom id="a1" elementType="C" x3="-2.177193" y3="-2.413850" z3="-0.078143"></atom>
<atom id="a2" elementType="C" x3="0.202649" y3="-2.575291" z3="-0.309498"></atom>
<atom id="a3" elementType="N" x3="-0.990124" y3="-3.021982" z3="0.117885"></atom>
<atom id="a4" elementType="C" x3="0.213486" y3="-1.449377" z3="-1.109550"></atom>
<atom id="a5" elementType="C" x3="-2.194157" y3="-1.239005" z3="-0.791460"></atom>
<atom id="a6" elementType="H" x3="-0.731764" y3="0.464460" z3="0.235460"></atom>
<atom id="a7" elementType="H" x3="-0.982979" y3="-3.833456" z3="0.706876"></atom>
<atom id="a8" elementType="C" x3="-1.020863" y3="0.385179" z3="-2.360783"></atom>
<atom id="a9" elementType="H" x3="-1.313324" y3="-0.032766" z3="-3.322724"></atom>
<atom id="a10" elementType="H" x3="-0.055889" y3="0.838493" z3="-2.456479"></atom>
<atom id="a11" elementType="H" x3="-1.752277" y3="1.110975" z3="-2.069677"></atom>
<atom id="a12" elementType="C" x3="-3.369575" y3="-3.105134" z3="0.538735"></atom>
<atom id="a13" elementType="H" x3="-3.866000" y3="-2.443525" z3="1.233288"></atom>
<atom id="a14" elementType="H" x3="-3.052746" y3="-3.997653" z3="1.060154"></atom>
<atom id="a15" elementType="H" x3="-4.086936" y3="-3.361073" z3="-0.224474"></atom>
<atom id="a16" elementType="C" x3="1.408978" y3="-3.339390" z3="0.174690"></atom>
<atom id="a17" elementType="H" x3="1.106899" y3="-4.079873" z3="0.901873"></atom>
<atom id="a18" elementType="H" x3="2.094405" y3="-2.646710" z3="0.650956"></atom>
<atom id="a19" elementType="H" x3="1.907545" y3="-3.811513" z3="-0.655072"></atom>
<atom id="a20" elementType="C" x3="1.529233" y3="-0.901817" z3="-1.583141"></atom>
<atom id="a21" elementType="C" x3="-3.498944" y3="-0.492498" z3="-0.814242"></atom>
<atom id="a22" elementType="O" x3="-4.569133" y3="-1.028639" z3="-0.648646"></atom>
<atom id="a23" elementType="O" x3="1.755461" y3="0.272504" z3="-1.749411"></atom>
<atom id="a24" elementType="C" x3="2.000203" y3="0.247386" z3="1.394408"></atom>
<atom id="a25" elementType="C" x3="-0.404733" y3="0.912289" z3="1.157872"></atom>
<atom id="a26" elementType="C" x3="1.425987" y3="2.522532" z3="0.460264"></atom>
<atom id="a27" elementType="C" x3="-0.016341" y3="2.314484" z3="0.717294"></atom>
<atom id="a28" elementType="C" x3="2.322331" y3="1.579828" z3="0.739064"></atom>
<atom id="a29" elementType="C" x3="0.693361" y3="0.097761" z3="1.743348"></atom>
<atom id="a30" elementType="O" x3="2.950659" y3="-0.571562" z3="1.519874"></atom>
<atom id="a31" elementType="O" x3="-0.831284" y3="3.173121" z3="0.469538"></atom>
<atom id="a32" elementType="Cl" x3="0.267119" y3="-1.326917" z3="2.671132"></atom>
<atom id="a33" elementType="C" x3="1.762235" y3="3.762836" z3="-0.147965"></atom>
<atom id="a34" elementType="C" x3="3.699768" y3="1.751927" z3="0.423220"></atom>
<atom id="a35" elementType="N" x3="4.800435" y3="1.879785" z3="0.160190"></atom>
<atom id="a36" elementType="N" x3="2.011181" y3="4.757044" z3="-0.645755"></atom>
<atom id="a37" elementType="O" x3="2.425404" y3="-1.855529" z3="-1.811507"></atom>
<atom id="a38" elementType="O" x3="-3.369751" y3="0.824716" z3="-0.936213"></atom>
<atom id="a39" elementType="C" x3="-4.546585" y3="1.703317" z3="-0.752898"></atom>
<atom id="a40" elementType="H" x3="-5.306788" y3="1.400556" z3="-1.455191"></atom>
<atom id="a41" elementType="H" x3="-4.906260" y3="1.555662" z3="0.252632"></atom>
<atom id="a42" elementType="C" x3="-4.041580" y3="3.119152" z3="-0.984580"></atom>
<atom id="a43" elementType="H" x3="-3.753784" y3="3.252954" z3="-2.019752"></atom>
<atom id="a44" elementType="H" x3="-3.182415" y3="3.306436" z3="-0.355950"></atom>
<atom id="a45" elementType="H" x3="-4.824679" y3="3.829886" z3="-0.748864"></atom>
<atom id="a46" elementType="C" x3="3.820763" y3="-1.494085" z3="-2.175111"></atom>
<atom id="a47" elementType="H" x3="4.025403" y3="-2.069013" z3="-3.062931"></atom>
<atom id="a48" elementType="H" x3="3.841101" y3="-0.440318" z3="-2.391399"></atom>
<atom id="a49" elementType="C" x3="4.735593" y3="-1.850668" z3="-1.010786"></atom>
<atom id="a50" elementType="H" x3="4.735510" y3="-2.920120" z3="-0.840006"></atom>
<atom id="a51" elementType="H" x3="4.406008" y3="-1.345915" z3="-0.113009"></atom>
<atom id="a52" elementType="H" x3="5.746545" y3="-1.537596" z3="-1.244066"></atom>
<atom id="a53" elementType="Cl" x3="-1.946406" y3="0.930156" z3="2.093257"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364453476e+03</scalar>
<scalar title="Time">5.07033</scalar>
<scalar title="Reaction Coordinate">17</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.990857" y3="-0.775295" z3="-1.383212"></atom>
<atom id="a1" elementType="C" x3="-2.176209" y3="-2.415626" z3="-0.080569"></atom>
<atom id="a2" elementType="C" x3="0.203426" y3="-2.576058" z3="-0.312306"></atom>
<atom id="a3" elementType="N" x3="-0.988776" y3="-3.022670" z3="0.116384"></atom>
<atom id="a4" elementType="C" x3="0.213114" y3="-1.453105" z3="-1.116826"></atom>
<atom id="a5" elementType="C" x3="-2.194129" y3="-1.243493" z3="-0.798233"></atom>
<atom id="a6" elementType="H" x3="-0.739468" y3="0.467698" z3="0.241899"></atom>
<atom id="a7" elementType="H" x3="-0.980605" y3="-3.831495" z3="0.708983"></atom>
<atom id="a8" elementType="C" x3="-1.023056" y3="0.378230" z3="-2.371412"></atom>
<atom id="a9" elementType="H" x3="-1.327489" y3="-0.038693" z3="-3.329955"></atom>
<atom id="a10" elementType="H" x3="-0.056340" y3="0.825789" z3="-2.475945"></atom>
<atom id="a11" elementType="H" x3="-1.747351" y3="1.109042" z3="-2.074493"></atom>
<atom id="a12" elementType="C" x3="-3.367353" y3="-3.102515" z3="0.543629"></atom>
<atom id="a13" elementType="H" x3="-3.857809" y3="-2.437658" z3="1.239479"></atom>
<atom id="a14" elementType="H" x3="-3.050214" y3="-3.994519" z3="1.065730"></atom>
<atom id="a15" elementType="H" x3="-4.089633" y3="-3.358190" z3="-0.214865"></atom>
<atom id="a16" elementType="C" x3="1.411179" y3="-3.334273" z3="0.177446"></atom>
<atom id="a17" elementType="H" x3="1.109848" y3="-4.073196" z3="0.906444"></atom>
<atom id="a18" elementType="H" x3="2.092919" y3="-2.637431" z3="0.653594"></atom>
<atom id="a19" elementType="H" x3="1.913831" y3="-3.807501" z3="-0.649389"></atom>
<atom id="a20" elementType="C" x3="1.529086" y3="-0.905006" z3="-1.589642"></atom>
<atom id="a21" elementType="C" x3="-3.498538" y3="-0.496378" z3="-0.819820"></atom>
<atom id="a22" elementType="O" x3="-4.569004" y3="-1.031375" z3="-0.652646"></atom>
<atom id="a23" elementType="O" x3="1.754506" y3="0.269730" z3="-1.753804"></atom>
<atom id="a24" elementType="C" x3="1.997702" y3="0.248155" z3="1.395239"></atom>
<atom id="a25" elementType="C" x3="-0.407256" y3="0.915719" z3="1.162665"></atom>
<atom id="a26" elementType="C" x3="1.425456" y3="2.524284" z3="0.463172"></atom>
<atom id="a27" elementType="C" x3="-0.016774" y3="2.317638" z3="0.721958"></atom>
<atom id="a28" elementType="C" x3="2.321075" y3="1.580591" z3="0.740859"></atom>
<atom id="a29" elementType="C" x3="0.691333" y3="0.099815" z3="1.745796"></atom>
<atom id="a30" elementType="O" x3="2.947135" y3="-0.572746" z3="1.517822"></atom>
<atom id="a31" elementType="O" x3="-0.830615" y3="3.178045" z3="0.476765"></atom>
<atom id="a32" elementType="Cl" x3="0.264295" y3="-1.327243" z3="2.669937"></atom>
<atom id="a33" elementType="C" x3="1.762671" y3="3.764105" z3="-0.145580"></atom>
<atom id="a34" elementType="C" x3="3.698367" y3="1.751514" z3="0.423610"></atom>
<atom id="a35" elementType="N" x3="4.798723" y3="1.878619" z3="0.158910"></atom>
<atom id="a36" elementType="N" x3="2.012938" y3="4.757438" z3="-0.644454"></atom>
<atom id="a37" elementType="O" x3="2.426011" y3="-1.858010" z3="-1.818435"></atom>
<atom id="a38" elementType="O" x3="-3.367622" y3="0.820824" z3="-0.940416"></atom>
<atom id="a39" elementType="C" x3="-4.542651" y3="1.700716" z3="-0.751044"></atom>
<atom id="a40" elementType="H" x3="-5.306131" y3="1.399838" z3="-1.450552"></atom>
<atom id="a41" elementType="H" x3="-4.898148" y3="1.552044" z3="0.255815"></atom>
<atom id="a42" elementType="C" x3="-4.037019" y3="3.116251" z3="-0.982772"></atom>
<atom id="a43" elementType="H" x3="-3.752026" y3="3.250749" z3="-2.018623"></atom>
<atom id="a44" elementType="H" x3="-3.176216" y3="3.302557" z3="-0.356110"></atom>
<atom id="a45" elementType="H" x3="-4.818947" y3="3.827353" z3="-0.744289"></atom>
<atom id="a46" elementType="C" x3="3.822828" y3="-1.494617" z3="-2.175433"></atom>
<atom id="a47" elementType="H" x3="4.032166" y3="-2.069082" z3="-3.062426"></atom>
<atom id="a48" elementType="H" x3="3.842662" y3="-0.440769" z3="-2.391385"></atom>
<atom id="a49" elementType="C" x3="4.733160" y3="-1.850059" z3="-1.007149"></atom>
<atom id="a50" elementType="H" x3="4.733763" y3="-2.919520" z3="-0.836358"></atom>
<atom id="a51" elementType="H" x3="4.399688" y3="-1.345554" z3="-0.110695"></atom>
<atom id="a52" elementType="H" x3="5.744672" y3="-1.535775" z3="-1.236454"></atom>
<atom id="a53" elementType="Cl" x3="-1.944739" y3="0.939843" z3="2.106055"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364454117e+03</scalar>
<scalar title="Time">5.37</scalar>
<scalar title="Reaction Coordinate">18</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.991362" y3="-0.780670" z3="-1.391772"></atom>
<atom id="a1" elementType="C" x3="-2.174986" y3="-2.417273" z3="-0.082629"></atom>
<atom id="a2" elementType="C" x3="0.204479" y3="-2.576771" z3="-0.314869"></atom>
<atom id="a3" elementType="N" x3="-0.987143" y3="-3.023254" z3="0.115217"></atom>
<atom id="a4" elementType="C" x3="0.213033" y3="-1.456542" z3="-1.123538"></atom>
<atom id="a5" elementType="C" x3="-2.193845" y3="-1.247808" z3="-0.804528"></atom>
<atom id="a6" elementType="H" x3="-0.748114" y3="0.471078" z3="0.248438"></atom>
<atom id="a7" elementType="H" x3="-0.977989" y3="-3.829663" z3="0.711021"></atom>
<atom id="a8" elementType="C" x3="-1.025337" y3="0.370886" z3="-2.382198"></atom>
<atom id="a9" elementType="H" x3="-1.342602" y3="-0.045412" z3="-3.336825"></atom>
<atom id="a10" elementType="H" x3="-0.056986" y3="0.812386" z3="-2.496547"></atom>
<atom id="a11" elementType="H" x3="-1.741942" y3="1.107118" z3="-2.079491"></atom>
<atom id="a12" elementType="C" x3="-3.364995" y3="-3.100110" z3="0.548255"></atom>
<atom id="a13" elementType="H" x3="-3.849991" y3="-2.432239" z3="1.245282"></atom>
<atom id="a14" elementType="H" x3="-3.047623" y3="-3.991621" z3="1.071039"></atom>
<atom id="a15" elementType="H" x3="-4.091744" y3="-3.355558" z3="-0.205949"></atom>
<atom id="a16" elementType="C" x3="1.413438" y3="-3.329701" z3="0.179565"></atom>
<atom id="a17" elementType="H" x3="1.113163" y3="-4.067476" z3="0.910197"></atom>
<atom id="a18" elementType="H" x3="2.091498" y3="-2.629060" z3="0.655355"></atom>
<atom id="a19" elementType="H" x3="1.919704" y3="-3.803428" z3="-0.644543"></atom>
<atom id="a20" elementType="C" x3="1.529015" y3="-0.907913" z3="-1.595968"></atom>
<atom id="a21" elementType="C" x3="-3.497949" y3="-0.500246" z3="-0.825311"></atom>
<atom id="a22" elementType="O" x3="-4.568726" y3="-1.034206" z3="-0.657130"></atom>
<atom id="a23" elementType="O" x3="1.753590" y3="0.267184" z3="-1.758407"></atom>
<atom id="a24" elementType="C" x3="1.995007" y3="0.248759" z3="1.395834"></atom>
<atom id="a25" elementType="C" x3="-0.409993" y3="0.919175" z3="1.167355"></atom>
<atom id="a26" elementType="C" x3="1.424811" y3="2.525881" z3="0.465833"></atom>
<atom id="a27" elementType="C" x3="-0.017313" y3="2.320779" z3="0.726490"></atom>
<atom id="a28" elementType="C" x3="2.319651" y3="1.581135" z3="0.742329"></atom>
<atom id="a29" elementType="C" x3="0.688999" y3="0.101649" z3="1.747710"></atom>
<atom id="a30" elementType="O" x3="2.943453" y3="-0.573968" z3="1.515952"></atom>
<atom id="a31" elementType="O" x3="-0.829984" y3="3.183053" z3="0.484002"></atom>
<atom id="a32" elementType="Cl" x3="0.261185" y3="-1.327416" z3="2.668762"></atom>
<atom id="a33" elementType="C" x3="1.763051" y3="3.765303" z3="-0.143218"></atom>
<atom id="a34" elementType="C" x3="3.696820" y3="1.750900" z3="0.423848"></atom>
<atom id="a35" elementType="N" x3="4.796914" y3="1.877331" z3="0.157735"></atom>
<atom id="a36" elementType="N" x3="2.014652" y3="4.757912" z3="-0.642870"></atom>
<atom id="a37" elementType="O" x3="2.426574" y3="-1.860302" z3="-1.825238"></atom>
<atom id="a38" elementType="O" x3="-3.365316" y3="0.816975" z3="-0.944337"></atom>
<atom id="a39" elementType="C" x3="-4.538605" y3="1.698107" z3="-0.749330"></atom>
<atom id="a40" elementType="H" x3="-5.305080" y3="1.399114" z3="-1.446331"></atom>
<atom id="a41" elementType="H" x3="-4.890302" y3="1.548389" z3="0.258699"></atom>
<atom id="a42" elementType="C" x3="-4.032276" y3="3.113350" z3="-0.980892"></atom>
<atom id="a43" elementType="H" x3="-3.749757" y3="3.248579" z3="-2.017324"></atom>
<atom id="a44" elementType="H" x3="-3.170019" y3="3.298653" z3="-0.355946"></atom>
<atom id="a45" elementType="H" x3="-4.813095" y3="3.824816" z3="-0.739862"></atom>
<atom id="a46" elementType="C" x3="3.824771" y3="-1.495285" z3="-2.175944"></atom>
<atom id="a47" elementType="H" x3="4.038598" y3="-2.069549" z3="-3.061968"></atom>
<atom id="a48" elementType="H" x3="3.844270" y3="-0.441413" z3="-2.391846"></atom>
<atom id="a49" elementType="C" x3="4.730632" y3="-1.849486" z3="-1.003724"></atom>
<atom id="a50" elementType="H" x3="4.731782" y3="-2.918895" z3="-0.832684"></atom>
<atom id="a51" elementType="H" x3="4.393404" y3="-1.345044" z3="-0.108702"></atom>
<atom id="a52" elementType="H" x3="5.742689" y3="-1.534211" z3="-1.229131"></atom>
<atom id="a53" elementType="Cl" x3="-1.942976" y3="0.949741" z3="2.119064"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364454725e+03</scalar>
<scalar title="Time">5.66956</scalar>
<scalar title="Reaction Coordinate">19</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.991570" y3="-0.785889" z3="-1.399903"></atom>
<atom id="a1" elementType="C" x3="-2.173554" y3="-2.418836" z3="-0.084346"></atom>
<atom id="a2" elementType="C" x3="0.205682" y3="-2.577395" z3="-0.317250"></atom>
<atom id="a3" elementType="N" x3="-0.985323" y3="-3.023746" z3="0.114294"></atom>
<atom id="a4" elementType="C" x3="0.213072" y3="-1.459762" z3="-1.129867"></atom>
<atom id="a5" elementType="C" x3="-2.193380" y3="-1.252016" z3="-0.810297"></atom>
<atom id="a6" elementType="H" x3="-0.756943" y3="0.474892" z3="0.254805"></atom>
<atom id="a7" elementType="H" x3="-0.975155" y3="-3.827834" z3="0.713359"></atom>
<atom id="a8" elementType="C" x3="-1.027703" y3="0.363228" z3="-2.392986"></atom>
<atom id="a9" elementType="H" x3="-1.358987" y3="-0.052533" z3="-3.342897"></atom>
<atom id="a10" elementType="H" x3="-0.057725" y3="0.797977" z3="-2.518347"></atom>
<atom id="a11" elementType="H" x3="-1.735807" y3="1.105423" z3="-2.084227"></atom>
<atom id="a12" elementType="C" x3="-3.362496" y3="-3.097886" z3="0.552623"></atom>
<atom id="a13" elementType="H" x3="-3.842527" y3="-2.427274" z3="1.250527"></atom>
<atom id="a14" elementType="H" x3="-3.044948" y3="-3.988912" z3="1.076117"></atom>
<atom id="a15" elementType="H" x3="-4.093167" y3="-3.353141" z3="-0.197677"></atom>
<atom id="a16" elementType="C" x3="1.415866" y3="-3.325579" z3="0.181196"></atom>
<atom id="a17" elementType="H" x3="1.116350" y3="-4.062518" z3="0.912902"></atom>
<atom id="a18" elementType="H" x3="2.090844" y3="-2.621751" z3="0.657191"></atom>
<atom id="a19" elementType="H" x3="1.925413" y3="-3.799601" z3="-0.640807"></atom>
<atom id="a20" elementType="C" x3="1.528998" y3="-0.910590" z3="-1.602118"></atom>
<atom id="a21" elementType="C" x3="-3.497177" y3="-0.504087" z3="-0.830680"></atom>
<atom id="a22" elementType="O" x3="-4.568291" y3="-1.037101" z3="-0.662062"></atom>
<atom id="a23" elementType="O" x3="1.752672" y3="0.264846" z3="-1.763183"></atom>
<atom id="a24" elementType="C" x3="1.992081" y3="0.249196" z3="1.396190"></atom>
<atom id="a25" elementType="C" x3="-0.412952" y3="0.922719" z3="1.171959"></atom>
<atom id="a26" elementType="C" x3="1.424042" y3="2.527329" z3="0.468248"></atom>
<atom id="a27" elementType="C" x3="-0.017954" y3="2.323896" z3="0.730863"></atom>
<atom id="a28" elementType="C" x3="2.318049" y3="1.581473" z3="0.743510"></atom>
<atom id="a29" elementType="C" x3="0.686411" y3="0.103245" z3="1.749151"></atom>
<atom id="a30" elementType="O" x3="2.939604" y3="-0.575220" z3="1.514221"></atom>
<atom id="a31" elementType="O" x3="-0.829390" y3="3.188105" z3="0.491174"></atom>
<atom id="a32" elementType="Cl" x3="0.257804" y3="-1.327455" z3="2.667603"></atom>
<atom id="a33" elementType="C" x3="1.763365" y3="3.766439" z3="-0.140882"></atom>
<atom id="a34" elementType="C" x3="3.695130" y3="1.750097" z3="0.423945"></atom>
<atom id="a35" elementType="N" x3="4.795011" y3="1.875906" z3="0.156647"></atom>
<atom id="a36" elementType="N" x3="2.016314" y3="4.758455" z3="-0.641022"></atom>
<atom id="a37" elementType="O" x3="2.427126" y3="-1.862413" z3="-1.831855"></atom>
<atom id="a38" elementType="O" x3="-3.362796" y3="0.813173" z3="-0.947931"></atom>
<atom id="a39" elementType="C" x3="-4.534456" y3="1.695495" z3="-0.747788"></atom>
<atom id="a40" elementType="H" x3="-5.303608" y3="1.398368" z3="-1.442621"></atom>
<atom id="a41" elementType="H" x3="-4.882806" y3="1.544700" z3="0.261262"></atom>
<atom id="a42" elementType="C" x3="-4.027381" y3="3.110471" z3="-0.978958"></atom>
<atom id="a43" elementType="H" x3="-3.746973" y3="3.246474" z3="-2.015875"></atom>
<atom id="a44" elementType="H" x3="-3.163883" y3="3.294775" z3="-0.355432"></atom>
<atom id="a45" elementType="H" x3="-4.807196" y3="3.822278" z3="-0.735631"></atom>
<atom id="a46" elementType="C" x3="3.826610" y3="-1.496050" z3="-2.176626"></atom>
<atom id="a47" elementType="H" x3="4.044672" y3="-2.070332" z3="-3.061575"></atom>
<atom id="a48" elementType="H" x3="3.845908" y3="-0.442204" z3="-2.392709"></atom>
<atom id="a49" elementType="C" x3="4.728078" y3="-1.848941" z3="-1.000545"></atom>
<atom id="a50" elementType="H" x3="4.729568" y3="-2.918314" z3="-0.829117"></atom>
<atom id="a51" elementType="H" x3="4.387235" y3="-1.344388" z3="-0.106947"></atom>
<atom id="a52" elementType="H" x3="5.740764" y3="-1.532853" z3="-1.222235"></atom>
<atom id="a53" elementType="Cl" x3="-1.941122" y3="0.959811" z3="2.132257"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364455304e+03</scalar>
<scalar title="Time">5.96919</scalar>
<scalar title="Reaction Coordinate">20</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.991716" y3="-0.791005" z3="-1.407608"></atom>
<atom id="a1" elementType="C" x3="-2.171921" y3="-2.420308" z3="-0.085771"></atom>
<atom id="a2" elementType="C" x3="0.207103" y3="-2.577989" z3="-0.319436"></atom>
<atom id="a3" elementType="N" x3="-0.983271" y3="-3.024171" z3="0.113630"></atom>
<atom id="a4" elementType="C" x3="0.213351" y3="-1.462776" z3="-1.135743"></atom>
<atom id="a5" elementType="C" x3="-2.192699" y3="-1.256099" z3="-0.815666"></atom>
<atom id="a6" elementType="H" x3="-0.766383" y3="0.478747" z3="0.261281"></atom>
<atom id="a7" elementType="H" x3="-0.972126" y3="-3.826034" z3="0.715575"></atom>
<atom id="a8" elementType="C" x3="-1.030170" y3="0.355378" z3="-2.403725"></atom>
<atom id="a9" elementType="H" x3="-1.376457" y3="-0.059971" z3="-3.348491"></atom>
<atom id="a10" elementType="H" x3="-0.058550" y3="0.782884" z3="-2.541068"></atom>
<atom id="a11" elementType="H" x3="-1.728993" y3="1.104042" z3="-2.088665"></atom>
<atom id="a12" elementType="C" x3="-3.359893" y3="-3.095847" z3="0.556766"></atom>
<atom id="a13" elementType="H" x3="-3.835475" y3="-2.422625" z3="1.255419"></atom>
<atom id="a14" elementType="H" x3="-3.042210" y3="-3.986348" z3="1.081054"></atom>
<atom id="a15" elementType="H" x3="-4.094133" y3="-3.351050" z3="-0.190003"></atom>
<atom id="a16" elementType="C" x3="1.418370" y3="-3.321921" z3="0.182360"></atom>
<atom id="a17" elementType="H" x3="1.119803" y3="-4.058432" z3="0.914921"></atom>
<atom id="a18" elementType="H" x3="2.090238" y3="-2.615152" z3="0.658496"></atom>
<atom id="a19" elementType="H" x3="1.930877" y3="-3.795774" z3="-0.637741"></atom>
<atom id="a20" elementType="C" x3="1.529041" y3="-0.913049" z3="-1.608097"></atom>
<atom id="a21" elementType="C" x3="-3.496218" y3="-0.507894" z3="-0.835937"></atom>
<atom id="a22" elementType="O" x3="-4.567725" y3="-1.040049" z3="-0.667412"></atom>
<atom id="a23" elementType="O" x3="1.751739" y3="0.262679" z3="-1.768114"></atom>
<atom id="a24" elementType="C" x3="1.988981" y3="0.249486" z3="1.396354"></atom>
<atom id="a25" elementType="C" x3="-0.416069" y3="0.926301" z3="1.176487"></atom>
<atom id="a26" elementType="C" x3="1.423164" y3="2.528651" z3="0.470450"></atom>
<atom id="a27" elementType="C" x3="-0.018695" y3="2.327009" z3="0.735096"></atom>
<atom id="a28" elementType="C" x3="2.316286" y3="1.581629" z3="0.744422"></atom>
<atom id="a29" elementType="C" x3="0.683586" y3="0.104690" z3="1.750238"></atom>
<atom id="a30" elementType="O" x3="2.935594" y3="-0.576518" z3="1.512564"></atom>
<atom id="a31" elementType="O" x3="-0.828842" y3="3.193201" z3="0.498226"></atom>
<atom id="a32" elementType="Cl" x3="0.254161" y3="-1.327372" z3="2.666454"></atom>
<atom id="a33" elementType="C" x3="1.763622" y3="3.767520" z3="-0.138568"></atom>
<atom id="a34" elementType="C" x3="3.693301" y3="1.749107" z3="0.423908"></atom>
<atom id="a35" elementType="N" x3="4.793013" y3="1.874329" z3="0.155629"></atom>
<atom id="a36" elementType="N" x3="2.017924" y3="4.759077" z3="-0.638939"></atom>
<atom id="a37" elementType="O" x3="2.427683" y3="-1.864360" z3="-1.838267"></atom>
<atom id="a38" elementType="O" x3="-3.360078" y3="0.809427" z3="-0.951165"></atom>
<atom id="a39" elementType="C" x3="-4.530200" y3="1.692882" z3="-0.746437"></atom>
<atom id="a40" elementType="H" x3="-5.301692" y3="1.397594" z3="-1.439421"></atom>
<atom id="a41" elementType="H" x3="-4.875645" y3="1.540992" z3="0.263438"></atom>
<atom id="a42" elementType="C" x3="-4.022350" y3="3.107621" z3="-0.976983"></atom>
<atom id="a43" elementType="H" x3="-3.743672" y3="3.244449" z3="-2.014254"></atom>
<atom id="a44" elementType="H" x3="-3.157856" y3="3.290948" z3="-0.354574"></atom>
<atom id="a45" elementType="H" x3="-4.801265" y3="3.819720" z3="-0.731633"></atom>
<atom id="a46" elementType="C" x3="3.828355" y3="-1.496881" z3="-2.177468"></atom>
<atom id="a47" elementType="H" x3="4.050427" y3="-2.071349" z3="-3.061276"></atom>
<atom id="a48" elementType="H" x3="3.847557" y3="-0.443093" z3="-2.393910"></atom>
<atom id="a49" elementType="C" x3="4.725550" y3="-1.848424" z3="-0.997642"></atom>
<atom id="a50" elementType="H" x3="4.727328" y3="-2.917718" z3="-0.825705"></atom>
<atom id="a51" elementType="H" x3="4.381215" y3="-1.343686" z3="-0.105508"></atom>
<atom id="a52" elementType="H" x3="5.738815" y3="-1.531635" z3="-1.215696"></atom>
<atom id="a53" elementType="Cl" x3="-1.939184" y3="0.970022" z3="2.145582"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364455857e+03</scalar>
<scalar title="Time">6.26887</scalar>
<scalar title="Reaction Coordinate">21</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.991639" y3="-0.796000" z3="-1.414930"></atom>
<atom id="a1" elementType="C" x3="-2.170119" y3="-2.421733" z3="-0.086937"></atom>
<atom id="a2" elementType="C" x3="0.208658" y3="-2.578567" z3="-0.321464"></atom>
<atom id="a3" elementType="N" x3="-0.981064" y3="-3.024561" z3="0.113151"></atom>
<atom id="a4" elementType="C" x3="0.213748" y3="-1.465625" z3="-1.141255"></atom>
<atom id="a5" elementType="C" x3="-2.191862" y3="-1.260092" z3="-0.820620"></atom>
<atom id="a6" elementType="H" x3="-0.775982" y3="0.482826" z3="0.267708"></atom>
<atom id="a7" elementType="H" x3="-0.968924" y3="-3.824296" z3="0.718046"></atom>
<atom id="a8" elementType="C" x3="-1.032694" y3="0.347436" z3="-2.414267"></atom>
<atom id="a9" elementType="H" x3="-1.395636" y3="-0.067019" z3="-3.352840"></atom>
<atom id="a10" elementType="H" x3="-0.059627" y3="0.766678" z3="-2.565024"></atom>
<atom id="a11" elementType="H" x3="-1.720915" y3="1.103203" z3="-2.092401"></atom>
<atom id="a12" elementType="C" x3="-3.357195" y3="-3.093964" z3="0.560706"></atom>
<atom id="a13" elementType="H" x3="-3.828783" y3="-2.418346" z3="1.259865"></atom>
<atom id="a14" elementType="H" x3="-3.039413" y3="-3.983926" z3="1.085835"></atom>
<atom id="a15" elementType="H" x3="-4.094559" y3="-3.349192" z3="-0.182871"></atom>
<atom id="a16" elementType="C" x3="1.420991" y3="-3.318655" z3="0.183167"></atom>
<atom id="a17" elementType="H" x3="1.123255" y3="-4.054965" z3="0.916217"></atom>
<atom id="a18" elementType="H" x3="2.090077" y3="-2.609298" z3="0.659788"></atom>
<atom id="a19" elementType="H" x3="1.936269" y3="-3.792130" z3="-0.635473"></atom>
<atom id="a20" elementType="C" x3="1.529125" y3="-0.915323" z3="-1.613891"></atom>
<atom id="a21" elementType="C" x3="-3.495091" y3="-0.511656" z3="-0.841065"></atom>
<atom id="a22" elementType="O" x3="-4.567017" y3="-1.043016" z3="-0.673135"></atom>
<atom id="a23" elementType="O" x3="1.750744" y3="0.260674" z3="-1.773180"></atom>
<atom id="a24" elementType="C" x3="1.985696" y3="0.249644" z3="1.396337"></atom>
<atom id="a25" elementType="C" x3="-0.419339" y3="0.929920" z3="1.180955"></atom>
<atom id="a26" elementType="C" x3="1.422181" y3="2.529862" z3="0.472449"></atom>
<atom id="a27" elementType="C" x3="-0.019535" y3="2.330085" z3="0.739150"></atom>
<atom id="a28" elementType="C" x3="2.314373" y3="1.581625" z3="0.745101"></atom>
<atom id="a29" elementType="C" x3="0.680567" y3="0.106003" z3="1.751031"></atom>
<atom id="a30" elementType="O" x3="2.931431" y3="-0.577871" z3="1.510937"></atom>
<atom id="a31" elementType="O" x3="-0.828344" y3="3.198289" z3="0.505087"></atom>
<atom id="a32" elementType="Cl" x3="0.250281" y3="-1.327185" z3="2.665312"></atom>
<atom id="a33" elementType="C" x3="1.763821" y3="3.768560" z3="-0.136283"></atom>
<atom id="a34" elementType="C" x3="3.691348" y3="1.747946" z3="0.423746"></atom>
<atom id="a35" elementType="N" x3="4.790929" y3="1.872587" z3="0.154663"></atom>
<atom id="a36" elementType="N" x3="2.019478" y3="4.759764" z3="-0.636652"></atom>
<atom id="a37" elementType="O" x3="2.428266" y3="-1.866146" z3="-1.844437"></atom>
<atom id="a38" elementType="O" x3="-3.357136" y3="0.805741" z3="-0.954038"></atom>
<atom id="a39" elementType="C" x3="-4.525856" y3="1.690279" z3="-0.745296"></atom>
<atom id="a40" elementType="H" x3="-5.299334" y3="1.396778" z3="-1.436802"></atom>
<atom id="a41" elementType="H" x3="-4.868891" y3="1.537280" z3="0.265246"></atom>
<atom id="a42" elementType="C" x3="-4.017212" y3="3.104813" z3="-0.974989"></atom>
<atom id="a43" elementType="H" x3="-3.739840" y3="3.242499" z3="-2.012496"></atom>
<atom id="a44" elementType="H" x3="-3.151981" y3="3.287207" z3="-0.353355"></atom>
<atom id="a45" elementType="H" x3="-4.795368" y3="3.817156" z3="-0.727926"></atom>
<atom id="a46" elementType="C" x3="3.830023" y3="-1.497733" z3="-2.178444"></atom>
<atom id="a47" elementType="H" x3="4.055841" y3="-2.072503" z3="-3.061082"></atom>
<atom id="a48" elementType="H" x3="3.849199" y3="-0.444033" z3="-2.395372"></atom>
<atom id="a49" elementType="C" x3="4.723107" y3="-1.847927" z3="-0.995035"></atom>
<atom id="a50" elementType="H" x3="4.725080" y3="-2.917119" z3="-0.822492"></atom>
<atom id="a51" elementType="H" x3="4.375562" y3="-1.342908" z3="-0.104387"></atom>
<atom id="a52" elementType="H" x3="5.736895" y3="-1.530592" z3="-1.209691"></atom>
<atom id="a53" elementType="Cl" x3="-1.937183" y3="0.980331" z3="2.159000"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364456387e+03</scalar>
<scalar title="Time">6.56836</scalar>
<scalar title="Reaction Coordinate">22</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.991459" y3="-0.800898" z3="-1.421881"></atom>
<atom id="a1" elementType="C" x3="-2.168171" y3="-2.423102" z3="-0.087874"></atom>
<atom id="a2" elementType="C" x3="0.210367" y3="-2.579152" z3="-0.323362"></atom>
<atom id="a3" elementType="N" x3="-0.978699" y3="-3.024942" z3="0.112858"></atom>
<atom id="a4" elementType="C" x3="0.214326" y3="-1.468375" z3="-1.146456"></atom>
<atom id="a5" elementType="C" x3="-2.190834" y3="-1.263979" z3="-0.825211"></atom>
<atom id="a6" elementType="H" x3="-0.786101" y3="0.487002" z3="0.274255"></atom>
<atom id="a7" elementType="H" x3="-0.965608" y3="-3.822626" z3="0.720326"></atom>
<atom id="a8" elementType="C" x3="-1.035286" y3="0.339492" z3="-2.424534"></atom>
<atom id="a9" elementType="H" x3="-1.416429" y3="-0.073758" z3="-3.356454"></atom>
<atom id="a10" elementType="H" x3="-0.060635" y3="0.749536" z3="-2.589971"></atom>
<atom id="a11" elementType="H" x3="-1.711582" y3="1.103154" z3="-2.095118"></atom>
<atom id="a12" elementType="C" x3="-3.354428" y3="-3.092236" z3="0.564458"></atom>
<atom id="a13" elementType="H" x3="-3.822427" y3="-2.414268" z3="1.263888"></atom>
<atom id="a14" elementType="H" x3="-3.036616" y3="-3.981578" z3="1.090614"></atom>
<atom id="a15" elementType="H" x3="-4.094530" y3="-3.347677" z3="-0.176227"></atom>
<atom id="a16" elementType="C" x3="1.423688" y3="-3.315738" z3="0.183681"></atom>
<atom id="a17" elementType="H" x3="1.126861" y3="-4.052144" z3="0.917058"></atom>
<atom id="a18" elementType="H" x3="2.090021" y3="-2.604007" z3="0.660758"></atom>
<atom id="a19" elementType="H" x3="1.941465" y3="-3.788534" z3="-0.633610"></atom>
<atom id="a20" elementType="C" x3="1.529248" y3="-0.917448" z3="-1.619523"></atom>
<atom id="a21" elementType="C" x3="-3.493790" y3="-0.515367" z3="-0.846061"></atom>
<atom id="a22" elementType="O" x3="-4.566193" y3="-1.045987" z3="-0.679195"></atom>
<atom id="a23" elementType="O" x3="1.749679" y3="0.258797" z3="-1.778358"></atom>
<atom id="a24" elementType="C" x3="1.982255" y3="0.249692" z3="1.396152"></atom>
<atom id="a25" elementType="C" x3="-0.422759" y3="0.933586" z3="1.185380"></atom>
<atom id="a26" elementType="C" x3="1.421104" y3="2.530977" z3="0.474279"></atom>
<atom id="a27" elementType="C" x3="-0.020464" y3="2.333138" z3="0.743049"></atom>
<atom id="a28" elementType="C" x3="2.312322" y3="1.581485" z3="0.745578"></atom>
<atom id="a29" elementType="C" x3="0.677347" y3="0.107205" z3="1.751565"></atom>
<atom id="a30" elementType="O" x3="2.927125" y3="-0.579289" z3="1.509303"></atom>
<atom id="a31" elementType="O" x3="-0.827905" y3="3.203347" z3="0.511711"></atom>
<atom id="a32" elementType="Cl" x3="0.246178" y3="-1.326914" z3="2.664182"></atom>
<atom id="a33" elementType="C" x3="1.763962" y3="3.769559" z3="-0.134023"></atom>
<atom id="a34" elementType="C" x3="3.689276" y3="1.746622" z3="0.423475"></atom>
<atom id="a35" elementType="N" x3="4.788762" y3="1.870673" z3="0.153724"></atom>
<atom id="a36" elementType="N" x3="2.020979" y3="4.760514" z3="-0.634191"></atom>
<atom id="a37" elementType="O" x3="2.428891" y3="-1.867788" z3="-1.850366"></atom>
<atom id="a38" elementType="O" x3="-3.353987" y3="0.802121" z3="-0.956552"></atom>
<atom id="a39" elementType="C" x3="-4.521426" y3="1.687681" z3="-0.744372"></atom>
<atom id="a40" elementType="H" x3="-5.296538" y3="1.395925" z3="-1.434754"></atom>
<atom id="a41" elementType="H" x3="-4.862546" y3="1.533570" z3="0.266647"></atom>
<atom id="a42" elementType="C" x3="-4.011979" y3="3.102047" z3="-0.972991"></atom>
<atom id="a43" elementType="H" x3="-3.735464" y3="3.240609" z3="-2.010603"></atom>
<atom id="a44" elementType="H" x3="-3.146291" y3="3.283574" z3="-0.351774"></atom>
<atom id="a45" elementType="H" x3="-4.789526" y3="3.814575" z3="-0.724565"></atom>
<atom id="a46" elementType="C" x3="3.831630" y3="-1.498568" z3="-2.179544"></atom>
<atom id="a47" elementType="H" x3="4.060957" y3="-2.073696" z3="-3.061026"></atom>
<atom id="a48" elementType="H" x3="3.850833" y3="-0.444962" z3="-2.397009"></atom>
<atom id="a49" elementType="C" x3="4.720807" y3="-1.847449" z3="-0.992745"></atom>
<atom id="a50" elementType="H" x3="4.722900" y3="-2.916540" z3="-0.819554"></atom>
<atom id="a51" elementType="H" x3="4.370111" y3="-1.342106" z3="-0.103512"></atom>
<atom id="a52" elementType="H" x3="5.735156" y3="-1.529612" z3="-1.204106"></atom>
<atom id="a53" elementType="Cl" x3="-1.935122" y3="0.990720" z3="2.172493"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364456897e+03</scalar>
<scalar title="Time">6.86783</scalar>
<scalar title="Reaction Coordinate">23</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.991122" y3="-0.805700" z3="-1.428494"></atom>
<atom id="a1" elementType="C" x3="-2.166087" y3="-2.424435" z3="-0.088615"></atom>
<atom id="a2" elementType="C" x3="0.212184" y3="-2.579763" z3="-0.325128"></atom>
<atom id="a3" elementType="N" x3="-0.976215" y3="-3.025323" z3="0.112677"></atom>
<atom id="a4" elementType="C" x3="0.215006" y3="-1.471002" z3="-1.151357"></atom>
<atom id="a5" elementType="C" x3="-2.189675" y3="-1.267799" z3="-0.829474"></atom>
<atom id="a6" elementType="H" x3="-0.796268" y3="0.491276" z3="0.280806"></atom>
<atom id="a7" elementType="H" x3="-0.962175" y3="-3.821124" z3="0.722739"></atom>
<atom id="a8" elementType="C" x3="-1.037926" y3="0.331610" z3="-2.434468"></atom>
<atom id="a9" elementType="H" x3="-1.439181" y3="-0.079549" z3="-3.358504"></atom>
<atom id="a10" elementType="H" x3="-0.061949" y3="0.731135" z3="-2.616151"></atom>
<atom id="a11" elementType="H" x3="-1.700564" y3="1.103883" z3="-2.096782"></atom>
<atom id="a12" elementType="C" x3="-3.351609" y3="-3.090623" z3="0.568041"></atom>
<atom id="a13" elementType="H" x3="-3.816509" y3="-2.410464" z3="1.267543"></atom>
<atom id="a14" elementType="H" x3="-3.033744" y3="-3.979284" z3="1.095292"></atom>
<atom id="a15" elementType="H" x3="-4.094124" y3="-3.346423" z3="-0.170067"></atom>
<atom id="a16" elementType="C" x3="1.426453" y3="-3.313131" z3="0.183969"></atom>
<atom id="a17" elementType="H" x3="1.130441" y3="-4.049788" z3="0.917358"></atom>
<atom id="a18" elementType="H" x3="2.090259" y3="-2.599284" z3="0.661796"></atom>
<atom id="a19" elementType="H" x3="1.946702" y3="-3.785062" z3="-0.632303"></atom>
<atom id="a20" elementType="C" x3="1.529418" y3="-0.919456" z3="-1.624986"></atom>
<atom id="a21" elementType="C" x3="-3.492336" y3="-0.519023" z3="-0.850927"></atom>
<atom id="a22" elementType="O" x3="-4.565247" y3="-1.048948" z3="-0.685540"></atom>
<atom id="a23" elementType="O" x3="1.748537" y3="0.257030" z3="-1.783631"></atom>
<atom id="a24" elementType="C" x3="1.978660" y3="0.249632" z3="1.395819"></atom>
<atom id="a25" elementType="C" x3="-0.426289" y3="0.937276" z3="1.189780"></atom>
<atom id="a26" elementType="C" x3="1.419932" y3="2.532009" z3="0.475962"></atom>
<atom id="a27" elementType="C" x3="-0.021485" y3="2.336151" z3="0.746782"></atom>
<atom id="a28" elementType="C" x3="2.310141" y3="1.581225" z3="0.745888"></atom>
<atom id="a29" elementType="C" x3="0.673971" y3="0.108333" z3="1.751919"></atom>
<atom id="a30" elementType="O" x3="2.922673" y3="-0.580780" z3="1.507617"></atom>
<atom id="a31" elementType="O" x3="-0.827533" y3="3.208348" z3="0.518053"></atom>
<atom id="a32" elementType="Cl" x3="0.241876" y3="-1.326567" z3="2.663059"></atom>
<atom id="a33" elementType="C" x3="1.764049" y3="3.770525" z3="-0.131787"></atom>
<atom id="a34" elementType="C" x3="3.687092" y3="1.745153" z3="0.423102"></atom>
<atom id="a35" elementType="N" x3="4.786512" y3="1.868583" z3="0.152796"></atom>
<atom id="a36" elementType="N" x3="2.022422" y3="4.761312" z3="-0.631581"></atom>
<atom id="a37" elementType="O" x3="2.429584" y3="-1.869299" z3="-1.856045"></atom>
<atom id="a38" elementType="O" x3="-3.350634" y3="0.798558" z3="-0.958727"></atom>
<atom id="a39" elementType="C" x3="-4.516929" y3="1.685096" z3="-0.743667"></atom>
<atom id="a40" elementType="H" x3="-5.293348" y3="1.395022" z3="-1.433281"></atom>
<atom id="a41" elementType="H" x3="-4.856613" y3="1.529873" z3="0.267688"></atom>
<atom id="a42" elementType="C" x3="-4.006668" y3="3.099323" z3="-0.971011"></atom>
<atom id="a43" elementType="H" x3="-3.730616" y3="3.238780" z3="-2.008637"></atom>
<atom id="a44" elementType="H" x3="-3.140751" y3="3.280034" z3="-0.349892"></atom>
<atom id="a45" elementType="H" x3="-4.783762" y3="3.811992" z3="-0.721514"></atom>
<atom id="a46" elementType="C" x3="3.833197" y3="-1.499350" z3="-2.180749"></atom>
<atom id="a47" elementType="H" x3="4.065801" y3="-2.074848" z3="-3.061109"></atom>
<atom id="a48" elementType="H" x3="3.852439" y3="-0.445843" z3="-2.398769"></atom>
<atom id="a49" elementType="C" x3="4.718675" y3="-1.846975" z3="-0.990758"></atom>
<atom id="a50" elementType="H" x3="4.720859" y3="-2.915965" z3="-0.816955"></atom>
<atom id="a51" elementType="H" x3="4.365110" y3="-1.341327" z3="-0.102899"></atom>
<atom id="a52" elementType="H" x3="5.733499" y3="-1.528728" z3="-1.199082"></atom>
<atom id="a53" elementType="Cl" x3="-1.933006" y3="1.001169" z3="2.186035"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364457391e+03</scalar>
<scalar title="Time">7.16734</scalar>
<scalar title="Reaction Coordinate">24</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.990680" y3="-0.810416" z3="-1.434784"></atom>
<atom id="a1" elementType="C" x3="-2.163915" y3="-2.425759" z3="-0.089206"></atom>
<atom id="a2" elementType="C" x3="0.214089" y3="-2.580395" z3="-0.326790"></atom>
<atom id="a3" elementType="N" x3="-0.973640" y3="-3.025733" z3="0.112618"></atom>
<atom id="a4" elementType="C" x3="0.215810" y3="-1.473560" z3="-1.155986"></atom>
<atom id="a5" elementType="C" x3="-2.188374" y3="-1.271535" z3="-0.833427"></atom>
<atom id="a6" elementType="H" x3="-0.806732" y3="0.495471" z3="0.287559"></atom>
<atom id="a7" elementType="H" x3="-0.958684" y3="-3.819639" z3="0.725052"></atom>
<atom id="a8" elementType="C" x3="-1.040621" y3="0.323900" z3="-2.443972"></atom>
<atom id="a9" elementType="H" x3="-1.464336" y3="-0.084221" z3="-3.359285"></atom>
<atom id="a10" elementType="H" x3="-0.063273" y3="0.711414" z3="-2.643713"></atom>
<atom id="a11" elementType="H" x3="-1.687448" y3="1.105849" z3="-2.096871"></atom>
<atom id="a12" elementType="C" x3="-3.348760" y3="-3.089128" z3="0.571465"></atom>
<atom id="a13" elementType="H" x3="-3.810709" y3="-2.406797" z3="1.270879"></atom>
<atom id="a14" elementType="H" x3="-3.030931" y3="-3.977076" z3="1.099935"></atom>
<atom id="a15" elementType="H" x3="-4.093450" y3="-3.345347" z3="-0.164202"></atom>
<atom id="a16" elementType="C" x3="1.429280" y3="-3.310802" z3="0.184076"></atom>
<atom id="a17" elementType="H" x3="1.134161" y3="-4.047944" z3="0.917372"></atom>
<atom id="a18" elementType="H" x3="2.090501" y3="-2.594953" z3="0.662636"></atom>
<atom id="a19" elementType="H" x3="1.951778" y3="-3.781660" z3="-0.631273"></atom>
<atom id="a20" elementType="C" x3="1.529606" y3="-0.921345" z3="-1.630281"></atom>
<atom id="a21" elementType="C" x3="-3.490731" y3="-0.522613" z3="-0.855668"></atom>
<atom id="a22" elementType="O" x3="-4.564193" y3="-1.051881" z3="-0.692128"></atom>
<atom id="a23" elementType="O" x3="1.747272" y3="0.255362" z3="-1.788982"></atom>
<atom id="a24" elementType="C" x3="1.974953" y3="0.249478" z3="1.395379"></atom>
<atom id="a25" elementType="C" x3="-0.429895" y3="0.940961" z3="1.194180"></atom>
<atom id="a26" elementType="C" x3="1.418682" y3="2.532966" z3="0.477515"></atom>
<atom id="a27" elementType="C" x3="-0.022588" y3="2.339102" z3="0.750336"></atom>
<atom id="a28" elementType="C" x3="2.307852" y3="1.580867" z3="0.746054"></atom>
<atom id="a29" elementType="C" x3="0.670487" y3="0.109415" z3="1.752192"></atom>
<atom id="a30" elementType="O" x3="2.918086" y3="-0.582342" z3="1.505840"></atom>
<atom id="a31" elementType="O" x3="-0.827237" y3="3.213241" z3="0.524065"></atom>
<atom id="a32" elementType="Cl" x3="0.237400" y3="-1.326164" z3="2.661948"></atom>
<atom id="a33" elementType="C" x3="1.764079" y3="3.771455" z3="-0.129577"></atom>
<atom id="a34" elementType="C" x3="3.684809" y3="1.743551" z3="0.422639"></atom>
<atom id="a35" elementType="N" x3="4.784189" y3="1.866322" z3="0.151863"></atom>
<atom id="a36" elementType="N" x3="2.023807" y3="4.762148" z3="-0.628852"></atom>
<atom id="a37" elementType="O" x3="2.430344" y3="-1.870677" z3="-1.861462"></atom>
<atom id="a38" elementType="O" x3="-3.347081" y3="0.795051" z3="-0.960618"></atom>
<atom id="a39" elementType="C" x3="-4.512354" y3="1.682512" z3="-0.743198"></atom>
<atom id="a40" elementType="H" x3="-5.289754" y3="1.394069" z3="-1.432361"></atom>
<atom id="a41" elementType="H" x3="-4.851041" y3="1.526177" z3="0.268317"></atom>
<atom id="a42" elementType="C" x3="-4.001295" y3="3.096638" z3="-0.969077"></atom>
<atom id="a43" elementType="H" x3="-3.725288" y3="3.236994" z3="-2.006604"></atom>
<atom id="a44" elementType="H" x3="-3.135407" y3="3.276611" z3="-0.347718"></atom>
<atom id="a45" elementType="H" x3="-4.778097" y3="3.809391" z3="-0.718841"></atom>
<atom id="a46" elementType="C" x3="3.834729" y3="-1.500042" z3="-2.182034"></atom>
<atom id="a47" elementType="H" x3="4.070383" y3="-2.075890" z3="-3.061344"></atom>
<atom id="a48" elementType="H" x3="3.854013" y3="-0.446626" z3="-2.400576"></atom>
<atom id="a49" elementType="C" x3="4.716751" y3="-1.846504" z3="-0.989092"></atom>
<atom id="a50" elementType="H" x3="4.718983" y3="-2.915410" z3="-0.814696"></atom>
<atom id="a51" elementType="H" x3="4.360435" y3="-1.340559" z3="-0.102509"></atom>
<atom id="a52" elementType="H" x3="5.732058" y3="-1.527862" z3="-1.194514"></atom>
<atom id="a53" elementType="Cl" x3="-1.930843" y3="1.011646" z3="2.199584"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364457871e+03</scalar>
<scalar title="Time">7.46685</scalar>
<scalar title="Reaction Coordinate">25</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.990128" y3="-0.815039" z3="-1.440730"></atom>
<atom id="a1" elementType="C" x3="-2.161660" y3="-2.427079" z3="-0.089661"></atom>
<atom id="a2" elementType="C" x3="0.216065" y3="-2.581103" z3="-0.328348"></atom>
<atom id="a3" elementType="N" x3="-0.971002" y3="-3.026190" z3="0.112637"></atom>
<atom id="a4" elementType="C" x3="0.216700" y3="-1.476071" z3="-1.160371"></atom>
<atom id="a5" elementType="C" x3="-2.186959" y3="-1.275214" z3="-0.837092"></atom>
<atom id="a6" elementType="H" x3="-0.817224" y3="0.499828" z3="0.294277"></atom>
<atom id="a7" elementType="H" x3="-0.955144" y3="-3.818341" z3="0.727372"></atom>
<atom id="a8" elementType="C" x3="-1.043349" y3="0.316482" z3="-2.452866"></atom>
<atom id="a9" elementType="H" x3="-1.492559" y3="-0.086789" z3="-3.357637"></atom>
<atom id="a10" elementType="H" x3="-0.065077" y3="0.689784" z3="-2.673092"></atom>
<atom id="a11" elementType="H" x3="-1.671245" y3="1.109273" z3="-2.095093"></atom>
<atom id="a12" elementType="C" x3="-3.345912" y3="-3.087735" z3="0.574752"></atom>
<atom id="a13" elementType="H" x3="-3.805298" y3="-2.403321" z3="1.273977"></atom>
<atom id="a14" elementType="H" x3="-3.028132" y3="-3.974944" z3="1.104474"></atom>
<atom id="a15" elementType="H" x3="-4.092531" y3="-3.344468" z3="-0.158773"></atom>
<atom id="a16" elementType="C" x3="1.432130" y3="-3.308717" z3="0.184049"></atom>
<atom id="a17" elementType="H" x3="1.137804" y3="-4.046419" z3="0.917078"></atom>
<atom id="a18" elementType="H" x3="2.090952" y3="-2.591041" z3="0.663513"></atom>
<atom id="a19" elementType="H" x3="1.956854" y3="-3.778367" z3="-0.630523"></atom>
<atom id="a20" elementType="C" x3="1.529809" y3="-0.923141" z3="-1.635399"></atom>
<atom id="a21" elementType="C" x3="-3.488982" y3="-0.526134" z3="-0.860274"></atom>
<atom id="a22" elementType="O" x3="-4.563034" y3="-1.054750" z3="-0.698886"></atom>
<atom id="a23" elementType="O" x3="1.745831" y3="0.253792" z3="-1.794384"></atom>
<atom id="a24" elementType="C" x3="1.971137" y3="0.249257" z3="1.394812"></atom>
<atom id="a25" elementType="C" x3="-0.433578" y3="0.944667" z3="1.198559"></atom>
<atom id="a26" elementType="C" x3="1.417362" y3="2.533857" z3="0.478960"></atom>
<atom id="a27" elementType="C" x3="-0.023753" y3="2.341990" z3="0.753722"></atom>
<atom id="a28" elementType="C" x3="2.305474" y3="1.580422" z3="0.746107"></atom>
<atom id="a29" elementType="C" x3="0.666881" y3="0.110437" z3="1.752344"></atom>
<atom id="a30" elementType="O" x3="2.913422" y3="-0.583992" z3="1.503977"></atom>
<atom id="a31" elementType="O" x3="-0.827024" y3="3.217988" z3="0.529680"></atom>
<atom id="a32" elementType="Cl" x3="0.232793" y3="-1.325723" z3="2.660860"></atom>
<atom id="a33" elementType="C" x3="1.764058" y3="3.772353" z3="-0.127397"></atom>
<atom id="a34" elementType="C" x3="3.682450" y3="1.741835" z3="0.422100"></atom>
<atom id="a35" elementType="N" x3="4.781808" y3="1.863903" z3="0.150911"></atom>
<atom id="a36" elementType="N" x3="2.025130" y3="4.763008" z3="-0.626038"></atom>
<atom id="a37" elementType="O" x3="2.431187" y3="-1.871913" z3="-1.866596"></atom>
<atom id="a38" elementType="O" x3="-3.343323" y3="0.791600" z3="-0.962297"></atom>
<atom id="a39" elementType="C" x3="-4.507707" y3="1.679938" z3="-0.742986"></atom>
<atom id="a40" elementType="H" x3="-5.285820" y3="1.393062" z3="-1.431990"></atom>
<atom id="a41" elementType="H" x3="-4.845797" y3="1.522480" z3="0.268577"></atom>
<atom id="a42" elementType="C" x3="-3.995885" y3="3.094001" z3="-0.967222"></atom>
<atom id="a43" elementType="H" x3="-3.719571" y3="3.235283" z3="-2.004521"></atom>
<atom id="a44" elementType="H" x3="-3.130278" y3="3.273321" z3="-0.345346"></atom>
<atom id="a45" elementType="H" x3="-4.772521" y3="3.806755" z3="-0.716528"></atom>
<atom id="a46" elementType="C" x3="3.836234" y3="-1.500604" z3="-2.183386"></atom>
<atom id="a47" elementType="H" x3="4.074704" y3="-2.076722" z3="-3.061742"></atom>
<atom id="a48" elementType="H" x3="3.855533" y3="-0.447261" z3="-2.402373"></atom>
<atom id="a49" elementType="C" x3="4.715048" y3="-1.846028" z3="-0.987727"></atom>
<atom id="a50" elementType="H" x3="4.717356" y3="-2.914845" z3="-0.812841"></atom>
<atom id="a51" elementType="H" x3="4.356177" y3="-1.339876" z3="-0.102329"></atom>
<atom id="a52" elementType="H" x3="5.730765" y3="-1.526996" z3="-1.190456"></atom>
<atom id="a53" elementType="Cl" x3="-1.928645" y3="1.022096" z3="2.213078"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364458338e+03</scalar>
<scalar title="Time">7.76615</scalar>
<scalar title="Reaction Coordinate">26</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.989475" y3="-0.819581" z3="-1.446358"></atom>
<atom id="a1" elementType="C" x3="-2.159357" y3="-2.428399" z3="-0.089980"></atom>
<atom id="a2" elementType="C" x3="0.218080" y3="-2.581858" z3="-0.329826"></atom>
<atom id="a3" elementType="N" x3="-0.968322" y3="-3.026709" z3="0.112725"></atom>
<atom id="a4" elementType="C" x3="0.217665" y3="-1.478537" z3="-1.164515"></atom>
<atom id="a5" elementType="C" x3="-2.185444" y3="-1.278824" z3="-0.840479"></atom>
<atom id="a6" elementType="H" x3="-0.827826" y3="0.503981" z3="0.301198"></atom>
<atom id="a7" elementType="H" x3="-0.951605" y3="-3.817174" z3="0.729595"></atom>
<atom id="a8" elementType="C" x3="-1.046076" y3="0.309424" z3="-2.461123"></atom>
<atom id="a9" elementType="H" x3="-1.523666" y3="-0.087363" z3="-3.354068"></atom>
<atom id="a10" elementType="H" x3="-0.067055" y3="0.666473" z3="-2.704082"></atom>
<atom id="a11" elementType="H" x3="-1.652039" y3="1.114275" z3="-2.091290"></atom>
<atom id="a12" elementType="C" x3="-3.343075" y3="-3.086446" z3="0.577892"></atom>
<atom id="a13" elementType="H" x3="-3.800069" y3="-2.400059" z3="1.276788"></atom>
<atom id="a14" elementType="H" x3="-3.025399" y3="-3.972915" z3="1.108900"></atom>
<atom id="a15" elementType="H" x3="-4.091424" y3="-3.343700" z3="-0.153608"></atom>
<atom id="a16" elementType="C" x3="1.434998" y3="-3.306872" z3="0.183928"></atom>
<atom id="a17" elementType="H" x3="1.141541" y3="-4.045289" z3="0.916608"></atom>
<atom id="a18" elementType="H" x3="2.091392" y3="-2.587449" z3="0.664275"></atom>
<atom id="a19" elementType="H" x3="1.961840" y3="-3.775226" z3="-0.629982"></atom>
<atom id="a20" elementType="C" x3="1.529999" y3="-0.924843" z3="-1.640347"></atom>
<atom id="a21" elementType="C" x3="-3.487107" y3="-0.529582" z3="-0.864752"></atom>
<atom id="a22" elementType="O" x3="-4.561781" y3="-1.057550" z3="-0.705754"></atom>
<atom id="a23" elementType="O" x3="1.744198" y3="0.252305" z3="-1.799832"></atom>
<atom id="a24" elementType="C" x3="1.967250" y3="0.248932" z3="1.394162"></atom>
<atom id="a25" elementType="C" x3="-0.437293" y3="0.948334" z3="1.202937"></atom>
<atom id="a26" elementType="C" x3="1.415988" y3="2.534690" z3="0.480319"></atom>
<atom id="a27" elementType="C" x3="-0.024988" y3="2.344800" z3="0.756925"></atom>
<atom id="a28" elementType="C" x3="2.303022" y3="1.579906" z3="0.746066"></atom>
<atom id="a29" elementType="C" x3="0.663223" y3="0.111417" z3="1.752452"></atom>
<atom id="a30" elementType="O" x3="2.908644" y3="-0.585695" z3="1.501997"></atom>
<atom id="a31" elementType="O" x3="-0.826896" y3="3.222573" z3="0.534876"></atom>
<atom id="a32" elementType="Cl" x3="0.228078" y3="-1.325249" z3="2.659795"></atom>
<atom id="a33" elementType="C" x3="1.763987" y3="3.773214" z3="-0.125247"></atom>
<atom id="a34" elementType="C" x3="3.680021" y3="1.740016" z3="0.421492"></atom>
<atom id="a35" elementType="N" x3="4.779371" y3="1.861336" z3="0.149933"></atom>
<atom id="a36" elementType="N" x3="2.026388" y3="4.763881" z3="-0.623164"></atom>
<atom id="a37" elementType="O" x3="2.432104" y3="-1.873011" z3="-1.871452"></atom>
<atom id="a38" elementType="O" x3="-3.339381" y3="0.788193" z3="-0.963818"></atom>
<atom id="a39" elementType="C" x3="-4.502986" y3="1.677366" z3="-0.743040"></atom>
<atom id="a40" elementType="H" x3="-5.281532" y3="1.392007" z3="-1.432155"></atom>
<atom id="a41" elementType="H" x3="-4.840859" y3="1.518781" z3="0.268421"></atom>
<atom id="a42" elementType="C" x3="-3.990441" y3="3.091403" z3="-0.965470"></atom>
<atom id="a43" elementType="H" x3="-3.713549" y3="3.233644" z3="-2.002509"></atom>
<atom id="a44" elementType="H" x3="-3.125250" y3="3.270110" z3="-0.342841"></atom>
<atom id="a45" elementType="H" x3="-4.767064" y3="3.804121" z3="-0.714492"></atom>
<atom id="a46" elementType="C" x3="3.837710" y3="-1.501004" z3="-2.184775"></atom>
<atom id="a47" elementType="H" x3="4.078804" y3="-2.077300" z3="-3.062293"></atom>
<atom id="a48" elementType="H" x3="3.856991" y3="-0.447708" z3="-2.404098"></atom>
<atom id="a49" elementType="C" x3="4.713587" y3="-1.845532" z3="-0.986664"></atom>
<atom id="a50" elementType="H" x3="4.715970" y3="-2.914299" z3="-0.811399"></atom>
<atom id="a51" elementType="H" x3="4.352331" y3="-1.339251" z3="-0.102328"></atom>
<atom id="a52" elementType="H" x3="5.729687" y3="-1.526100" z3="-1.186866"></atom>
<atom id="a53" elementType="Cl" x3="-1.926416" y3="1.032506" z3="2.226501"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364458796e+03</scalar>
<scalar title="Time">8.06533</scalar>
<scalar title="Reaction Coordinate">27</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.988758" y3="-0.824027" z3="-1.451667"></atom>
<atom id="a1" elementType="C" x3="-2.157021" y3="-2.429728" z3="-0.090206"></atom>
<atom id="a2" elementType="C" x3="0.220121" y3="-2.582697" z3="-0.331199"></atom>
<atom id="a3" elementType="N" x3="-0.965637" y3="-3.027297" z3="0.112855"></atom>
<atom id="a4" elementType="C" x3="0.218684" y3="-1.480959" z3="-1.168417"></atom>
<atom id="a5" elementType="C" x3="-2.183842" y3="-1.282369" z3="-0.843598"></atom>
<atom id="a6" elementType="H" x3="-0.838349" y3="0.508146" z3="0.308107"></atom>
<atom id="a7" elementType="H" x3="-0.948080" y3="-3.816202" z3="0.731737"></atom>
<atom id="a8" elementType="C" x3="-1.048828" y3="0.302819" z3="-2.468641"></atom>
<atom id="a9" elementType="H" x3="-1.558344" y3="-0.084762" z3="-3.347307"></atom>
<atom id="a10" elementType="H" x3="-0.069868" y3="0.640820" z3="-2.737247"></atom>
<atom id="a11" elementType="H" x3="-1.628519" y3="1.121006" z3="-2.085255"></atom>
<atom id="a12" elementType="C" x3="-3.340280" y3="-3.085257" z3="0.580899"></atom>
<atom id="a13" elementType="H" x3="-3.795118" y3="-2.396895" z3="1.279418"></atom>
<atom id="a14" elementType="H" x3="-3.022764" y3="-3.970970" z3="1.113248"></atom>
<atom id="a15" elementType="H" x3="-4.090203" y3="-3.343093" z3="-0.148810"></atom>
<atom id="a16" elementType="C" x3="1.437859" y3="-3.305249" z3="0.183717"></atom>
<atom id="a17" elementType="H" x3="1.145201" y3="-4.044422" z3="0.915941"></atom>
<atom id="a18" elementType="H" x3="2.091952" y3="-2.584161" z3="0.665066"></atom>
<atom id="a19" elementType="H" x3="1.966740" y3="-3.772179" z3="-0.629625"></atom>
<atom id="a20" elementType="C" x3="1.530179" y3="-0.926463" z3="-1.645098"></atom>
<atom id="a21" elementType="C" x3="-3.485121" y3="-0.532944" z3="-0.869086"></atom>
<atom id="a22" elementType="O" x3="-4.560447" y3="-1.060249" z3="-0.712656"></atom>
<atom id="a23" elementType="O" x3="1.742332" y3="0.250910" z3="-1.805294"></atom>
<atom id="a24" elementType="C" x3="1.963310" y3="0.248574" z3="1.393433"></atom>
<atom id="a25" elementType="C" x3="-0.441013" y3="0.951947" z3="1.207300"></atom>
<atom id="a26" elementType="C" x3="1.414564" y3="2.535461" z3="0.481595"></atom>
<atom id="a27" elementType="C" x3="-0.026270" y3="2.347495" z3="0.759938"></atom>
<atom id="a28" elementType="C" x3="2.300515" y3="1.579334" z3="0.745960"></atom>
<atom id="a29" elementType="C" x3="0.659514" y3="0.112369" z3="1.752541"></atom>
<atom id="a30" elementType="O" x3="2.903840" y3="-0.587484" z3="1.499910"></atom>
<atom id="a31" elementType="O" x3="-0.826861" y3="3.226936" z3="0.539613"></atom>
<atom id="a32" elementType="Cl" x3="0.223301" y3="-1.324759" z3="2.658762"></atom>
<atom id="a33" elementType="C" x3="1.763867" y3="3.774034" z3="-0.123136"></atom>
<atom id="a34" elementType="C" x3="3.677542" y3="1.738121" z3="0.420831"></atom>
<atom id="a35" elementType="N" x3="4.776895" y3="1.858646" z3="0.148924"></atom>
<atom id="a36" elementType="N" x3="2.027576" y3="4.764747" z3="-0.620262"></atom>
<atom id="a37" elementType="O" x3="2.433095" y3="-1.873964" z3="-1.876016"></atom>
<atom id="a38" elementType="O" x3="-3.335258" y3="0.784835" z3="-0.965269"></atom>
<atom id="a39" elementType="C" x3="-4.498203" y3="1.674806" z3="-0.743370"></atom>
<atom id="a40" elementType="H" x3="-5.276996" y3="1.390904" z3="-1.432818"></atom>
<atom id="a41" elementType="H" x3="-4.836159" y3="1.515079" z3="0.267917"></atom>
<atom id="a42" elementType="C" x3="-3.984992" y3="3.088851" z3="-0.963860"></atom>
<atom id="a43" elementType="H" x3="-3.707077" y3="3.232010" z3="-2.000463"></atom>
<atom id="a44" elementType="H" x3="-3.120553" y3="3.267111" z3="-0.340149"></atom>
<atom id="a45" elementType="H" x3="-4.761754" y3="3.801423" z3="-0.713016"></atom>
<atom id="a46" elementType="C" x3="3.839160" y3="-1.501215" z3="-2.186185"></atom>
<atom id="a47" elementType="H" x3="4.082654" y3="-2.077552" z3="-3.062993"></atom>
<atom id="a48" elementType="H" x3="3.858361" y3="-0.447937" z3="-2.405705"></atom>
<atom id="a49" elementType="C" x3="4.712367" y3="-1.845017" z3="-0.985874"></atom>
<atom id="a50" elementType="H" x3="4.714871" y3="-2.913734" z3="-0.810373"></atom>
<atom id="a51" elementType="H" x3="4.348903" y3="-1.338718" z3="-0.102468"></atom>
<atom id="a52" elementType="H" x3="5.728785" y3="-1.525166" z3="-1.183756"></atom>
<atom id="a53" elementType="Cl" x3="-1.924156" y3="1.042815" z3="2.239779"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364459250e+03</scalar>
<scalar title="Time">8.36481</scalar>
<scalar title="Reaction Coordinate">28</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.988015" y3="-0.828363" z3="-1.456597"></atom>
<atom id="a1" elementType="C" x3="-2.154691" y3="-2.431111" z3="-0.090325"></atom>
<atom id="a2" elementType="C" x3="0.222148" y3="-2.583594" z3="-0.332499"></atom>
<atom id="a3" elementType="N" x3="-0.962971" y3="-3.027977" z3="0.113031"></atom>
<atom id="a4" elementType="C" x3="0.219713" y3="-1.483352" z3="-1.172063"></atom>
<atom id="a5" elementType="C" x3="-2.182214" y3="-1.285879" z3="-0.846446"></atom>
<atom id="a6" elementType="H" x3="-0.848791" y3="0.512071" z3="0.315156"></atom>
<atom id="a7" elementType="H" x3="-0.944616" y3="-3.815355" z3="0.733805"></atom>
<atom id="a8" elementType="C" x3="-1.051535" y3="0.296864" z3="-2.475203"></atom>
<atom id="a9" elementType="H" x3="-1.596499" y3="-0.078700" z3="-3.337348"></atom>
<atom id="a10" elementType="H" x3="-0.073551" y3="0.612645" z3="-2.772659"></atom>
<atom id="a11" elementType="H" x3="-1.600427" y3="1.129832" z3="-2.076868"></atom>
<atom id="a12" elementType="C" x3="-3.337554" y3="-3.084176" z3="0.583770"></atom>
<atom id="a13" elementType="H" x3="-3.790356" y3="-2.393959" z3="1.281859"></atom>
<atom id="a14" elementType="H" x3="-3.020252" y3="-3.969187" z3="1.117404"></atom>
<atom id="a15" elementType="H" x3="-4.088881" y3="-3.342514" z3="-0.144247"></atom>
<atom id="a16" elementType="C" x3="1.440671" y3="-3.303830" z3="0.183451"></atom>
<atom id="a17" elementType="H" x3="1.148830" y3="-4.043894" z3="0.915121"></atom>
<atom id="a18" elementType="H" x3="2.092582" y3="-2.581304" z3="0.665772"></atom>
<atom id="a19" elementType="H" x3="1.971546" y3="-3.769299" z3="-0.629381"></atom>
<atom id="a20" elementType="C" x3="1.530264" y3="-0.927961" z3="-1.649658"></atom>
<atom id="a21" elementType="C" x3="-3.483025" y3="-0.536225" z3="-0.873283"></atom>
<atom id="a22" elementType="O" x3="-4.559036" y3="-1.062815" z3="-0.719489"></atom>
<atom id="a23" elementType="O" x3="1.740087" y3="0.249626" z3="-1.810778"></atom>
<atom id="a24" elementType="C" x3="1.959386" y3="0.248137" z3="1.392671"></atom>
<atom id="a25" elementType="C" x3="-0.444686" y3="0.955470" z3="1.211644"></atom>
<atom id="a26" elementType="C" x3="1.413121" y3="2.536170" z3="0.482804"></atom>
<atom id="a27" elementType="C" x3="-0.027586" y3="2.350048" z3="0.762737"></atom>
<atom id="a28" elementType="C" x3="2.297997" y3="1.578714" z3="0.745801"></atom>
<atom id="a29" elementType="C" x3="0.655853" y3="0.113285" z3="1.752680"></atom>
<atom id="a30" elementType="O" x3="2.899025" y3="-0.589307" z3="1.497728"></atom>
<atom id="a31" elementType="O" x3="-0.826915" y3="3.231022" z3="0.543829"></atom>
<atom id="a32" elementType="Cl" x3="0.218517" y3="-1.324269" z3="2.657775"></atom>
<atom id="a33" elementType="C" x3="1.763702" y3="3.774809" z3="-0.121070"></atom>
<atom id="a34" elementType="C" x3="3.675047" y3="1.736172" z3="0.420129"></atom>
<atom id="a35" elementType="N" x3="4.774407" y3="1.855866" z3="0.147884"></atom>
<atom id="a36" elementType="N" x3="2.028691" y3="4.765595" z3="-0.617368"></atom>
<atom id="a37" elementType="O" x3="2.434137" y3="-1.874729" z3="-1.880256"></atom>
<atom id="a38" elementType="O" x3="-3.330933" y3="0.781514" z3="-0.966803"></atom>
<atom id="a39" elementType="C" x3="-4.493304" y3="1.672239" z3="-0.744032"></atom>
<atom id="a40" elementType="H" x3="-5.272110" y3="1.389739" z3="-1.434005"></atom>
<atom id="a41" elementType="H" x3="-4.831615" y3="1.511322" z3="0.266960"></atom>
<atom id="a42" elementType="C" x3="-3.979532" y3="3.086346" z3="-0.962444"></atom>
<atom id="a43" elementType="H" x3="-3.700346" y3="3.230427" z3="-1.998591"></atom>
<atom id="a44" elementType="H" x3="-3.115969" y3="3.264231" z3="-0.337430"></atom>
<atom id="a45" elementType="H" x3="-4.756625" y3="3.798712" z3="-0.711913"></atom>
<atom id="a46" elementType="C" x3="3.840551" y3="-1.501187" z3="-2.187577"></atom>
<atom id="a47" elementType="H" x3="4.086296" y3="-2.077414" z3="-3.063838"></atom>
<atom id="a48" elementType="H" x3="3.859633" y3="-0.447887" z3="-2.407121"></atom>
<atom id="a49" elementType="C" x3="4.711375" y3="-1.844470" z3="-0.985358"></atom>
<atom id="a50" elementType="H" x3="4.714010" y3="-2.913183" z3="-0.809770"></atom>
<atom id="a51" elementType="H" x3="4.345906" y3="-1.338282" z3="-0.102747"></atom>
<atom id="a52" elementType="H" x3="5.728075" y3="-1.524158" z3="-1.181048"></atom>
<atom id="a53" elementType="Cl" x3="-1.921890" y3="1.052951" z3="2.252822"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364459703e+03</scalar>
<scalar title="Time">8.66417</scalar>
<scalar title="Reaction Coordinate">29</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.987271" y3="-0.832602" z3="-1.461178"></atom>
<atom id="a1" elementType="C" x3="-2.152390" y3="-2.432521" z3="-0.090341"></atom>
<atom id="a2" elementType="C" x3="0.224139" y3="-2.584579" z3="-0.333714"></atom>
<atom id="a3" elementType="N" x3="-0.960363" y3="-3.028743" z3="0.113254"></atom>
<atom id="a4" elementType="C" x3="0.220730" y3="-1.485738" z3="-1.175481"></atom>
<atom id="a5" elementType="C" x3="-2.180543" y3="-1.289312" z3="-0.849035"></atom>
<atom id="a6" elementType="H" x3="-0.859065" y3="0.515881" z3="0.322222"></atom>
<atom id="a7" elementType="H" x3="-0.941215" y3="-3.814757" z3="0.735786"></atom>
<atom id="a8" elementType="C" x3="-1.054128" y3="0.291605" z3="-2.480746"></atom>
<atom id="a9" elementType="H" x3="-1.637712" y3="-0.068248" z3="-3.323481"></atom>
<atom id="a10" elementType="H" x3="-0.078437" y3="0.582188" z3="-2.809981"></atom>
<atom id="a11" elementType="H" x3="-1.566719" y3="1.140232" z3="-2.066308"></atom>
<atom id="a12" elementType="C" x3="-3.334917" y3="-3.083238" z3="0.586491"></atom>
<atom id="a13" elementType="H" x3="-3.785862" y3="-2.391283" z3="1.284157"></atom>
<atom id="a14" elementType="H" x3="-3.017902" y3="-3.967607" z3="1.121348"></atom>
<atom id="a15" elementType="H" x3="-4.087611" y3="-3.342026" z3="-0.139988"></atom>
<atom id="a16" elementType="C" x3="1.443438" y3="-3.302637" z3="0.183120"></atom>
<atom id="a17" elementType="H" x3="1.152402" y3="-4.043568" z3="0.914243"></atom>
<atom id="a18" elementType="H" x3="2.093056" y3="-2.578497" z3="0.666449"></atom>
<atom id="a19" elementType="H" x3="1.976172" y3="-3.766579" z3="-0.629291"></atom>
<atom id="a20" elementType="C" x3="1.530245" y3="-0.929382" z3="-1.654023"></atom>
<atom id="a21" elementType="C" x3="-3.480855" y3="-0.539405" z3="-0.877311"></atom>
<atom id="a22" elementType="O" x3="-4.557574" y3="-1.065228" z3="-0.726143"></atom>
<atom id="a23" elementType="O" x3="1.737445" y3="0.248448" z3="-1.816281"></atom>
<atom id="a24" elementType="C" x3="1.955500" y3="0.247659" z3="1.391871"></atom>
<atom id="a25" elementType="C" x3="-0.448306" y3="0.958891" z3="1.215944"></atom>
<atom id="a26" elementType="C" x3="1.411666" y3="2.536814" z3="0.483954"></atom>
<atom id="a27" elementType="C" x3="-0.028916" y3="2.352452" z3="0.765336"></atom>
<atom id="a28" elementType="C" x3="2.295483" y3="1.578058" z3="0.745623"></atom>
<atom id="a29" elementType="C" x3="0.652212" y3="0.114159" z3="1.752815"></atom>
<atom id="a30" elementType="O" x3="2.894266" y3="-0.591164" z3="1.495478"></atom>
<atom id="a31" elementType="O" x3="-0.827057" y3="3.234811" z3="0.547499"></atom>
<atom id="a32" elementType="Cl" x3="0.213780" y3="-1.323788" z3="2.656842"></atom>
<atom id="a33" elementType="C" x3="1.763500" y3="3.775525" z3="-0.119067"></atom>
<atom id="a34" elementType="C" x3="3.672556" y3="1.734193" z3="0.419401"></atom>
<atom id="a35" elementType="N" x3="4.771927" y3="1.853030" z3="0.146816"></atom>
<atom id="a36" elementType="N" x3="2.029722" y3="4.766403" z3="-0.614511"></atom>
<atom id="a37" elementType="O" x3="2.435204" y3="-1.875294" z3="-1.884155"></atom>
<atom id="a38" elementType="O" x3="-3.326440" y3="0.778220" z3="-0.968475"></atom>
<atom id="a39" elementType="C" x3="-4.488326" y3="1.669688" z3="-0.745051"></atom>
<atom id="a40" elementType="H" x3="-5.267088" y3="1.388589" z3="-1.435664"></atom>
<atom id="a41" elementType="H" x3="-4.827168" y3="1.507556" z3="0.265596"></atom>
<atom id="a42" elementType="C" x3="-3.974076" y3="3.083892" z3="-0.961251"></atom>
<atom id="a43" elementType="H" x3="-3.693331" y3="3.228933" z3="-1.996827"></atom>
<atom id="a44" elementType="H" x3="-3.111610" y3="3.261523" z3="-0.334716"></atom>
<atom id="a45" elementType="H" x3="-4.751633" y3="3.795940" z3="-0.711271"></atom>
<atom id="a46" elementType="C" x3="3.841874" y3="-1.500887" z3="-2.188927"></atom>
<atom id="a47" elementType="H" x3="4.089585" y3="-2.076806" z3="-3.064813"></atom>
<atom id="a48" elementType="H" x3="3.860769" y3="-0.447519" z3="-2.408294"></atom>
<atom id="a49" elementType="C" x3="4.710606" y3="-1.843885" z3="-0.985078"></atom>
<atom id="a50" elementType="H" x3="4.713419" y3="-2.912616" z3="-0.809630"></atom>
<atom id="a51" elementType="H" x3="4.343247" y3="-1.337984" z3="-0.103094"></atom>
<atom id="a52" elementType="H" x3="5.727512" y3="-1.523086" z3="-1.178793"></atom>
<atom id="a53" elementType="Cl" x3="-1.919624" y3="1.062859" z3="2.265577"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364460159e+03</scalar>
<scalar title="Time">8.96373</scalar>
<scalar title="Reaction Coordinate">30</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.986593" y3="-0.836697" z3="-1.465337"></atom>
<atom id="a1" elementType="C" x3="-2.150146" y3="-2.434022" z3="-0.090274"></atom>
<atom id="a2" elementType="C" x3="0.226065" y3="-2.585633" z3="-0.334860"></atom>
<atom id="a3" elementType="N" x3="-0.957850" y3="-3.029615" z3="0.113509"></atom>
<atom id="a4" elementType="C" x3="0.221681" y3="-1.488082" z3="-1.178615"></atom>
<atom id="a5" elementType="C" x3="-2.178916" y3="-1.292703" z3="-0.851345"></atom>
<atom id="a6" elementType="H" x3="-0.869044" y3="0.519368" z3="0.329242"></atom>
<atom id="a7" elementType="H" x3="-0.937955" y3="-3.814324" z3="0.737625"></atom>
<atom id="a8" elementType="C" x3="-1.056509" y3="0.287142" z3="-2.485194"></atom>
<atom id="a9" elementType="H" x3="-1.681399" y3="-0.053107" z3="-3.305464"></atom>
<atom id="a10" elementType="H" x3="-0.085078" y3="0.549167" z3="-2.849078"></atom>
<atom id="a11" elementType="H" x3="-1.527170" y3="1.152354" z3="-2.053897"></atom>
<atom id="a12" elementType="C" x3="-3.332419" y3="-3.082452" z3="0.589076"></atom>
<atom id="a13" elementType="H" x3="-3.781470" y3="-2.388808" z3="1.286356"></atom>
<atom id="a14" elementType="H" x3="-3.015764" y3="-3.966274" z3="1.125053"></atom>
<atom id="a15" elementType="H" x3="-4.086289" y3="-3.341521" z3="-0.135997"></atom>
<atom id="a16" elementType="C" x3="1.446109" y3="-3.301619" z3="0.182747"></atom>
<atom id="a17" elementType="H" x3="1.155873" y3="-4.043491" z3="0.913238"></atom>
<atom id="a18" elementType="H" x3="2.093721" y3="-2.576254" z3="0.667039"></atom>
<atom id="a19" elementType="H" x3="1.980687" y3="-3.764051" z3="-0.629299"></atom>
<atom id="a20" elementType="C" x3="1.530053" y3="-0.930646" z3="-1.658186"></atom>
<atom id="a21" elementType="C" x3="-3.478636" y3="-0.542493" z3="-0.881147"></atom>
<atom id="a22" elementType="O" x3="-4.556087" y3="-1.067463" z3="-0.732503"></atom>
<atom id="a23" elementType="O" x3="1.734317" y3="0.247399" z3="-1.821811"></atom>
<atom id="a24" elementType="C" x3="1.951704" y3="0.247139" z3="1.391080"></atom>
<atom id="a25" elementType="C" x3="-0.451809" y3="0.962146" z3="1.220163"></atom>
<atom id="a26" elementType="C" x3="1.410231" y3="2.537395" z3="0.485046"></atom>
<atom id="a27" elementType="C" x3="-0.030247" y3="2.354674" z3="0.767709"></atom>
<atom id="a28" elementType="C" x3="2.293020" y3="1.577381" z3="0.745433"></atom>
<atom id="a29" elementType="C" x3="0.648699" y3="0.114987" z3="1.753026"></atom>
<atom id="a30" elementType="O" x3="2.889604" y3="-0.593026" z3="1.493191"></atom>
<atom id="a31" elementType="O" x3="-0.827282" y3="3.238259" z3="0.550606"></atom>
<atom id="a32" elementType="Cl" x3="0.209143" y3="-1.323332" z3="2.655976"></atom>
<atom id="a33" elementType="C" x3="1.763264" y3="3.776181" z3="-0.117133"></atom>
<atom id="a34" elementType="C" x3="3.670108" y3="1.732213" z3="0.418670"></atom>
<atom id="a35" elementType="N" x3="4.769484" y3="1.850182" z3="0.145733"></atom>
<atom id="a36" elementType="N" x3="2.030668" y3="4.767166" z3="-0.611726"></atom>
<atom id="a37" elementType="O" x3="2.436276" y3="-1.875637" z3="-1.887696"></atom>
<atom id="a38" elementType="O" x3="-3.321797" y3="0.774968" z3="-0.970410"></atom>
<atom id="a39" elementType="C" x3="-4.483251" y3="1.667162" z3="-0.746438"></atom>
<atom id="a40" elementType="H" x3="-5.261785" y3="1.387396" z3="-1.437819"></atom>
<atom id="a41" elementType="H" x3="-4.822794" y3="1.503752" z3="0.263792"></atom>
<atom id="a42" elementType="C" x3="-3.968624" y3="3.081502" z3="-0.960328"></atom>
<atom id="a43" elementType="H" x3="-3.686137" y3="3.227500" z3="-1.995287"></atom>
<atom id="a44" elementType="H" x3="-3.107370" y3="3.258935" z3="-0.332127"></atom>
<atom id="a45" elementType="H" x3="-4.746779" y3="3.793165" z3="-0.711037"></atom>
<atom id="a46" elementType="C" x3="3.843089" y3="-1.500281" z3="-2.190204"></atom>
<atom id="a47" elementType="H" x3="4.092680" y3="-2.075693" z3="-3.065907"></atom>
<atom id="a48" elementType="H" x3="3.861742" y3="-0.446796" z3="-2.409169"></atom>
<atom id="a49" elementType="C" x3="4.710023" y3="-1.843260" z3="-0.985020"></atom>
<atom id="a50" elementType="H" x3="4.713052" y3="-2.912054" z3="-0.809911"></atom>
<atom id="a51" elementType="H" x3="4.341036" y3="-1.337801" z3="-0.103499"></atom>
<atom id="a52" elementType="H" x3="5.727117" y3="-1.521919" z3="-1.176883"></atom>
<atom id="a53" elementType="Cl" x3="-1.917380" y3="1.072452" z3="2.277930"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364460622e+03</scalar>
<scalar title="Time">9.26323</scalar>
<scalar title="Reaction Coordinate">31</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.985988" y3="-0.840670" z3="-1.469114"></atom>
<atom id="a1" elementType="C" x3="-2.147978" y3="-2.435600" z3="-0.090131"></atom>
<atom id="a2" elementType="C" x3="0.227922" y3="-2.586761" z3="-0.335937"></atom>
<atom id="a3" elementType="N" x3="-0.955431" y3="-3.030598" z3="0.113790"></atom>
<atom id="a4" elementType="C" x3="0.222564" y3="-1.490412" z3="-1.181499"></atom>
<atom id="a5" elementType="C" x3="-2.177325" y3="-1.296058" z3="-0.853426"></atom>
<atom id="a6" elementType="H" x3="-0.878778" y3="0.522681" z3="0.336270"></atom>
<atom id="a7" elementType="H" x3="-0.934778" y3="-3.814105" z3="0.739399"></atom>
<atom id="a8" elementType="C" x3="-1.058606" y3="0.283480" z3="-2.488526"></atom>
<atom id="a9" elementType="H" x3="-1.726094" y3="-0.033273" z3="-3.283227"></atom>
<atom id="a10" elementType="H" x3="-0.093594" y3="0.514456" z3="-2.889352"></atom>
<atom id="a11" elementType="H" x3="-1.482356" y3="1.165009" z3="-2.040587"></atom>
<atom id="a12" elementType="C" x3="-3.330033" y3="-3.081824" z3="0.591532"></atom>
<atom id="a13" elementType="H" x3="-3.777351" y3="-2.386629" z3="1.288486"></atom>
<atom id="a14" elementType="H" x3="-3.013776" y3="-3.965178" z3="1.128497"></atom>
<atom id="a15" elementType="H" x3="-4.085124" y3="-3.341055" z3="-0.132229"></atom>
<atom id="a16" elementType="C" x3="1.448692" y3="-3.300816" z3="0.182313"></atom>
<atom id="a17" elementType="H" x3="1.159239" y3="-4.043633" z3="0.912190"></atom>
<atom id="a18" elementType="H" x3="2.094240" y3="-2.574080" z3="0.667564"></atom>
<atom id="a19" elementType="H" x3="1.984955" y3="-3.761712" z3="-0.629409"></atom>
<atom id="a20" elementType="C" x3="1.529670" y3="-0.931792" z3="-1.662181"></atom>
<atom id="a21" elementType="C" x3="-3.476393" y3="-0.545500" z3="-0.884794"></atom>
<atom id="a22" elementType="O" x3="-4.554603" y3="-1.069516" z3="-0.738500"></atom>
<atom id="a23" elementType="O" x3="1.730659" y3="0.246483" z3="-1.827420"></atom>
<atom id="a24" elementType="C" x3="1.948006" y3="0.246592" z3="1.390304"></atom>
<atom id="a25" elementType="C" x3="-0.455199" y3="0.965242" z3="1.224318"></atom>
<atom id="a26" elementType="C" x3="1.408821" y3="2.537913" z3="0.486091"></atom>
<atom id="a27" elementType="C" x3="-0.031567" y3="2.356714" z3="0.769880"></atom>
<atom id="a28" elementType="C" x3="2.290610" y3="1.576691" z3="0.745247"></atom>
<atom id="a29" elementType="C" x3="0.645279" y3="0.115781" z3="1.753292"></atom>
<atom id="a30" elementType="O" x3="2.885063" y3="-0.594889" z3="1.490892"></atom>
<atom id="a31" elementType="O" x3="-0.827573" y3="3.241370" z3="0.553184"></atom>
<atom id="a32" elementType="Cl" x3="0.204623" y3="-1.322908" z3="2.655171"></atom>
<atom id="a33" elementType="C" x3="1.763002" y3="3.776780" z3="-0.115268"></atom>
<atom id="a34" elementType="C" x3="3.667711" y3="1.730238" z3="0.417942"></atom>
<atom id="a35" elementType="N" x3="4.767089" y3="1.847335" z3="0.144634"></atom>
<atom id="a36" elementType="N" x3="2.031535" y3="4.767873" z3="-0.609022"></atom>
<atom id="a37" elementType="O" x3="2.437321" y3="-1.875733" z3="-1.890895"></atom>
<atom id="a38" elementType="O" x3="-3.317012" y3="0.771729" z3="-0.972642"></atom>
<atom id="a39" elementType="C" x3="-4.478069" y3="1.664665" z3="-0.748210"></atom>
<atom id="a40" elementType="H" x3="-5.256359" y3="1.386257" z3="-1.440401"></atom>
<atom id="a41" elementType="H" x3="-4.818398" y3="1.499929" z3="0.261561"></atom>
<atom id="a42" elementType="C" x3="-3.963141" y3="3.079167" z3="-0.959693"></atom>
<atom id="a43" elementType="H" x3="-3.678742" y3="3.226165" z3="-1.993977"></atom>
<atom id="a44" elementType="H" x3="-3.103209" y3="3.256470" z3="-0.329701"></atom>
<atom id="a45" elementType="H" x3="-4.741999" y3="3.790370" z3="-0.711211"></atom>
<atom id="a46" elementType="C" x3="3.844200" y3="-1.499349" z3="-2.191388"></atom>
<atom id="a47" elementType="H" x3="4.095416" y3="-2.074044" z3="-3.067103"></atom>
<atom id="a48" elementType="H" x3="3.862546" y3="-0.445695" z3="-2.409717"></atom>
<atom id="a49" elementType="C" x3="4.709602" y3="-1.842581" z3="-0.985149"></atom>
<atom id="a50" elementType="H" x3="4.712823" y3="-2.911468" z3="-0.810610"></atom>
<atom id="a51" elementType="H" x3="4.339138" y3="-1.337734" z3="-0.103907"></atom>
<atom id="a52" elementType="H" x3="5.726830" y3="-1.520711" z3="-1.175373"></atom>
<atom id="a53" elementType="Cl" x3="-1.915153" y3="1.081741" z3="2.289904"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364461096e+03</scalar>
<scalar title="Time">9.56286</scalar>
<scalar title="Reaction Coordinate">32</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.985528" y3="-0.844485" z3="-1.472439"></atom>
<atom id="a1" elementType="C" x3="-2.145891" y3="-2.437306" z3="-0.089913"></atom>
<atom id="a2" elementType="C" x3="0.229692" y3="-2.587961" z3="-0.336982"></atom>
<atom id="a3" elementType="N" x3="-0.953136" y3="-3.031687" z3="0.114085"></atom>
<atom id="a4" elementType="C" x3="0.223329" y3="-1.492730" z3="-1.184137"></atom>
<atom id="a5" elementType="C" x3="-2.175818" y3="-1.299373" z3="-0.855258"></atom>
<atom id="a6" elementType="H" x3="-0.888238" y3="0.525752" z3="0.343172"></atom>
<atom id="a7" elementType="H" x3="-0.931751" y3="-3.814197" z3="0.741024"></atom>
<atom id="a8" elementType="C" x3="-1.060277" y3="0.280573" z3="-2.490843"></atom>
<atom id="a9" elementType="H" x3="-1.770370" y3="-0.009294" z3="-3.257650"></atom>
<atom id="a10" elementType="H" x3="-0.104358" y3="0.478102" z3="-2.929762"></atom>
<atom id="a11" elementType="H" x3="-1.432347" y3="1.178020" z3="-2.027077"></atom>
<atom id="a12" elementType="C" x3="-3.327792" y3="-3.081378" z3="0.593861"></atom>
<atom id="a13" elementType="H" x3="-3.773353" y3="-2.384744" z3="1.290536"></atom>
<atom id="a14" elementType="H" x3="-3.012021" y3="-3.964371" z3="1.131685"></atom>
<atom id="a15" elementType="H" x3="-4.084018" y3="-3.340607" z3="-0.128743"></atom>
<atom id="a16" elementType="C" x3="1.451185" y3="-3.300174" z3="0.181825"></atom>
<atom id="a17" elementType="H" x3="1.162503" y3="-4.043938" z3="0.911032"></atom>
<atom id="a18" elementType="H" x3="2.094829" y3="-2.572235" z3="0.668040"></atom>
<atom id="a19" elementType="H" x3="1.989098" y3="-3.759541" z3="-0.629680"></atom>
<atom id="a20" elementType="C" x3="1.529057" y3="-0.932806" z3="-1.666026"></atom>
<atom id="a21" elementType="C" x3="-3.474148" y3="-0.548438" z3="-0.888228"></atom>
<atom id="a22" elementType="O" x3="-4.553138" y3="-1.071382" z3="-0.744081"></atom>
<atom id="a23" elementType="O" x3="1.726470" y3="0.245683" z3="-1.833137"></atom>
<atom id="a24" elementType="C" x3="1.944421" y3="0.246018" z3="1.389545"></atom>
<atom id="a25" elementType="C" x3="-0.458480" y3="0.968196" z3="1.228383"></atom>
<atom id="a26" elementType="C" x3="1.407434" y3="2.538365" z3="0.487098"></atom>
<atom id="a27" elementType="C" x3="-0.032871" y3="2.358582" z3="0.771869"></atom>
<atom id="a28" elementType="C" x3="2.288265" y3="1.575982" z3="0.745077"></atom>
<atom id="a29" elementType="C" x3="0.641968" y3="0.116520" z3="1.753586"></atom>
<atom id="a30" elementType="O" x3="2.880648" y3="-0.596723" z3="1.488616"></atom>
<atom id="a31" elementType="O" x3="-0.827926" y3="3.244168" z3="0.555264"></atom>
<atom id="a32" elementType="Cl" x3="0.200239" y3="-1.322517" z3="2.654424"></atom>
<atom id="a33" elementType="C" x3="1.762713" y3="3.777313" z3="-0.113472"></atom>
<atom id="a34" elementType="C" x3="3.665370" y3="1.728291" z3="0.417229"></atom>
<atom id="a35" elementType="N" x3="4.764747" y3="1.844515" z3="0.143534"></atom>
<atom id="a36" elementType="N" x3="2.032320" y3="4.768523" z3="-0.606406"></atom>
<atom id="a37" elementType="O" x3="2.438335" y3="-1.875581" z3="-1.893743"></atom>
<atom id="a38" elementType="O" x3="-3.312127" y3="0.768516" z3="-0.975192"></atom>
<atom id="a39" elementType="C" x3="-4.472794" y3="1.662221" z3="-0.750335"></atom>
<atom id="a40" elementType="H" x3="-5.250828" y3="1.385149" z3="-1.443374"></atom>
<atom id="a41" elementType="H" x3="-4.813942" y3="1.496128" z3="0.258978"></atom>
<atom id="a42" elementType="C" x3="-3.957615" y3="3.076892" z3="-0.959356"></atom>
<atom id="a43" elementType="H" x3="-3.671264" y3="3.224930" z3="-1.992921"></atom>
<atom id="a44" elementType="H" x3="-3.099055" y3="3.254064" z3="-0.327560"></atom>
<atom id="a45" elementType="H" x3="-4.737205" y3="3.787569" z3="-0.711702"></atom>
<atom id="a46" elementType="C" x3="3.845176" y3="-1.498074" z3="-2.192470"></atom>
<atom id="a47" elementType="H" x3="4.097879" y3="-2.071804" z3="-3.068372"></atom>
<atom id="a48" elementType="H" x3="3.863169" y3="-0.444194" z3="-2.409924"></atom>
<atom id="a49" elementType="C" x3="4.709321" y3="-1.841847" z3="-0.985451"></atom>
<atom id="a50" elementType="H" x3="4.712727" y3="-2.910851" z3="-0.811677"></atom>
<atom id="a51" elementType="H" x3="4.337571" y3="-1.337757" z3="-0.104337"></atom>
<atom id="a52" elementType="H" x3="5.726651" y3="-1.519449" z3="-1.174165"></atom>
<atom id="a53" elementType="Cl" x3="-1.912926" y3="1.090710" z3="2.301484"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364461580e+03</scalar>
<scalar title="Time">9.86207</scalar>
<scalar title="Reaction Coordinate">33</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.985229" y3="-0.848177" z3="-1.475437"></atom>
<atom id="a1" elementType="C" x3="-2.143887" y3="-2.439143" z3="-0.089639"></atom>
<atom id="a2" elementType="C" x3="0.231391" y3="-2.589215" z3="-0.337988"></atom>
<atom id="a3" elementType="N" x3="-0.950962" y3="-3.032908" z3="0.114397"></atom>
<atom id="a4" elementType="C" x3="0.223969" y3="-1.495037" z3="-1.186554"></atom>
<atom id="a5" elementType="C" x3="-2.174420" y3="-1.302673" z3="-0.856909"></atom>
<atom id="a6" elementType="H" x3="-0.897442" y3="0.528642" z3="0.350047"></atom>
<atom id="a7" elementType="H" x3="-0.928817" y3="-3.814364" z3="0.742510"></atom>
<atom id="a8" elementType="C" x3="-1.061348" y3="0.278338" z3="-2.492245"></atom>
<atom id="a9" elementType="H" x3="-1.812680" y3="0.018820" z3="-3.228574"></atom>
<atom id="a10" elementType="H" x3="-0.117078" y3="0.440815" z3="-2.970119"></atom>
<atom id="a11" elementType="H" x3="-1.377890" y3="1.190130" z3="-2.014399"></atom>
<atom id="a12" elementType="C" x3="-3.325670" y3="-3.081148" z3="0.596091"></atom>
<atom id="a13" elementType="H" x3="-3.769458" y3="-2.383112" z3="1.292625"></atom>
<atom id="a14" elementType="H" x3="-3.010450" y3="-3.963908" z3="1.134625"></atom>
<atom id="a15" elementType="H" x3="-4.083014" y3="-3.340175" z3="-0.125334"></atom>
<atom id="a16" elementType="C" x3="1.453589" y3="-3.299694" z3="0.181271"></atom>
<atom id="a17" elementType="H" x3="1.165677" y3="-4.044402" z3="0.909849"></atom>
<atom id="a18" elementType="H" x3="2.095376" y3="-2.570617" z3="0.668347"></atom>
<atom id="a19" elementType="H" x3="1.993017" y3="-3.757580" z3="-0.630003"></atom>
<atom id="a20" elementType="C" x3="1.528208" y3="-0.933684" z3="-1.669762"></atom>
<atom id="a21" elementType="C" x3="-3.471953" y3="-0.551339" z3="-0.891455"></atom>
<atom id="a22" elementType="O" x3="-4.551736" y3="-1.073099" z3="-0.749212"></atom>
<atom id="a23" elementType="O" x3="1.721756" y3="0.245005" z3="-1.839046"></atom>
<atom id="a24" elementType="C" x3="1.940925" y3="0.245425" z3="1.388816"></atom>
<atom id="a25" elementType="C" x3="-0.461654" y3="0.970980" z3="1.232368"></atom>
<atom id="a26" elementType="C" x3="1.406083" y3="2.538758" z3="0.488064"></atom>
<atom id="a27" elementType="C" x3="-0.034164" y3="2.360288" z3="0.773692"></atom>
<atom id="a28" elementType="C" x3="2.285982" y3="1.575266" z3="0.744916"></atom>
<atom id="a29" elementType="C" x3="0.638758" y3="0.117222" z3="1.753926"></atom>
<atom id="a30" elementType="O" x3="2.876357" y3="-0.598546" z3="1.486376"></atom>
<atom id="a31" elementType="O" x3="-0.828318" y3="3.246685" z3="0.556916"></atom>
<atom id="a32" elementType="Cl" x3="0.195974" y3="-1.322160" z3="2.653728"></atom>
<atom id="a33" elementType="C" x3="1.762404" y3="3.777791" z3="-0.111732"></atom>
<atom id="a34" elementType="C" x3="3.663090" y3="1.726353" z3="0.416532"></atom>
<atom id="a35" elementType="N" x3="4.762454" y3="1.841716" z3="0.142425"></atom>
<atom id="a36" elementType="N" x3="2.033035" y3="4.769116" z3="-0.603865"></atom>
<atom id="a37" elementType="O" x3="2.439283" y3="-1.875166" z3="-1.896267"></atom>
<atom id="a38" elementType="O" x3="-3.307187" y3="0.765312" z3="-0.978003"></atom>
<atom id="a39" elementType="C" x3="-4.467425" y3="1.659848" z3="-0.752796"></atom>
<atom id="a40" elementType="H" x3="-5.245119" y3="1.384125" z3="-1.446723"></atom>
<atom id="a41" elementType="H" x3="-4.809517" y3="1.492420" z3="0.256001"></atom>
<atom id="a42" elementType="C" x3="-3.951968" y3="3.074668" z3="-0.959333"></atom>
<atom id="a43" elementType="H" x3="-3.663594" y3="3.223748" z3="-1.992182"></atom>
<atom id="a44" elementType="H" x3="-3.094777" y3="3.251678" z3="-0.325698"></atom>
<atom id="a45" elementType="H" x3="-4.732330" y3="3.784844" z3="-0.712529"></atom>
<atom id="a46" elementType="C" x3="3.846015" y3="-1.496424" z3="-2.193450"></atom>
<atom id="a47" elementType="H" x3="4.100056" y3="-2.068977" z3="-3.069761"></atom>
<atom id="a48" elementType="H" x3="3.863570" y3="-0.442270" z3="-2.409765"></atom>
<atom id="a49" elementType="C" x3="4.709134" y3="-1.841034" z3="-0.985905"></atom>
<atom id="a50" elementType="H" x3="4.712734" y3="-2.910213" z3="-0.813154"></atom>
<atom id="a51" elementType="H" x3="4.336274" y3="-1.337888" z3="-0.104750"></atom>
<atom id="a52" elementType="H" x3="5.726549" y3="-1.518089" z3="-1.173235"></atom>
<atom id="a53" elementType="Cl" x3="-1.910711" y3="1.099418" z3="2.312752"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364462071e+03</scalar>
<scalar title="Time">10.1614</scalar>
<scalar title="Reaction Coordinate">34</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984991" y3="-0.851799" z3="-1.478115"></atom>
<atom id="a1" elementType="C" x3="-2.141937" y3="-2.441134" z3="-0.089345"></atom>
<atom id="a2" elementType="C" x3="0.233035" y3="-2.590569" z3="-0.339027"></atom>
<atom id="a3" elementType="N" x3="-0.948868" y3="-3.034253" z3="0.114693"></atom>
<atom id="a4" elementType="C" x3="0.224528" y3="-1.497426" z3="-1.188813"></atom>
<atom id="a5" elementType="C" x3="-2.173092" y3="-1.306014" z3="-0.858437"></atom>
<atom id="a6" elementType="H" x3="-0.906747" y3="0.531571" z3="0.356970"></atom>
<atom id="a7" elementType="H" x3="-0.925934" y3="-3.814823" z3="0.744106"></atom>
<atom id="a8" elementType="C" x3="-1.061826" y3="0.276537" z3="-2.492982"></atom>
<atom id="a9" elementType="H" x3="-1.851836" y3="0.049387" z3="-3.197689"></atom>
<atom id="a10" elementType="H" x3="-0.131823" y3="0.404013" z3="-3.008570"></atom>
<atom id="a11" elementType="H" x3="-1.321271" y3="1.200865" z3="-2.003038"></atom>
<atom id="a12" elementType="C" x3="-3.323617" y3="-3.081099" z3="0.598252"></atom>
<atom id="a13" elementType="H" x3="-3.765615" y3="-2.381812" z3="1.294716"></atom>
<atom id="a14" elementType="H" x3="-3.008994" y3="-3.963717" z3="1.137323"></atom>
<atom id="a15" elementType="H" x3="-4.082193" y3="-3.339773" z3="-0.122140"></atom>
<atom id="a16" elementType="C" x3="1.455940" y3="-3.299367" z3="0.180647"></atom>
<atom id="a17" elementType="H" x3="1.168816" y3="-4.045031" z3="0.908567"></atom>
<atom id="a18" elementType="H" x3="2.095896" y3="-2.569133" z3="0.668652"></atom>
<atom id="a19" elementType="H" x3="1.996841" y3="-3.755731" z3="-0.630441"></atom>
<atom id="a20" elementType="C" x3="1.527112" y3="-0.934473" z3="-1.673478"></atom>
<atom id="a21" elementType="C" x3="-3.469765" y3="-0.554264" z3="-0.894519"></atom>
<atom id="a22" elementType="O" x3="-4.550376" y3="-1.074689" z3="-0.753938"></atom>
<atom id="a23" elementType="O" x3="1.716502" y3="0.244403" z3="-1.845260"></atom>
<atom id="a24" elementType="C" x3="1.937482" y3="0.244791" z3="1.388099"></atom>
<atom id="a25" elementType="C" x3="-0.464803" y3="0.973730" z3="1.236340"></atom>
<atom id="a26" elementType="C" x3="1.404736" y3="2.539104" z3="0.489024"></atom>
<atom id="a27" elementType="C" x3="-0.035467" y3="2.361898" z3="0.775408"></atom>
<atom id="a28" elementType="C" x3="2.283724" y3="1.574518" z3="0.744779"></atom>
<atom id="a29" elementType="C" x3="0.635561" y3="0.117863" z3="1.754258"></atom>
<atom id="a30" elementType="O" x3="2.872097" y3="-0.600369" z3="1.484133"></atom>
<atom id="a31" elementType="O" x3="-0.828748" y3="3.249018" z3="0.558224"></atom>
<atom id="a32" elementType="Cl" x3="0.191749" y3="-1.321835" z3="2.653063"></atom>
<atom id="a33" elementType="C" x3="1.762081" y3="3.778220" z3="-0.110016"></atom>
<atom id="a34" elementType="C" x3="3.660823" y3="1.724403" z3="0.415845"></atom>
<atom id="a35" elementType="N" x3="4.760174" y3="1.838893" z3="0.141298"></atom>
<atom id="a36" elementType="N" x3="2.033700" y3="4.769667" z3="-0.601356"></atom>
<atom id="a37" elementType="O" x3="2.440212" y3="-1.874486" z3="-1.898511"></atom>
<atom id="a38" elementType="O" x3="-3.302194" y3="0.762090" z3="-0.981059"></atom>
<atom id="a39" elementType="C" x3="-4.461919" y3="1.657544" z3="-0.755570"></atom>
<atom id="a40" elementType="H" x3="-5.239316" y3="1.383210" z3="-1.450384"></atom>
<atom id="a41" elementType="H" x3="-4.804944" y3="1.488813" z3="0.252699"></atom>
<atom id="a42" elementType="C" x3="-3.946095" y3="3.072471" z3="-0.959622"></atom>
<atom id="a43" elementType="H" x3="-3.655677" y3="3.222581" z3="-1.991711"></atom>
<atom id="a44" elementType="H" x3="-3.090285" y3="3.249259" z3="-0.324166"></atom>
<atom id="a45" elementType="H" x3="-4.727169" y3="3.782155" z3="-0.713700"></atom>
<atom id="a46" elementType="C" x3="3.846721" y3="-1.494372" z3="-2.194329"></atom>
<atom id="a47" elementType="H" x3="4.101997" y3="-2.065471" z3="-3.071239"></atom>
<atom id="a48" elementType="H" x3="3.863783" y3="-0.439879" z3="-2.409223"></atom>
<atom id="a49" elementType="C" x3="4.709033" y3="-1.840133" z3="-0.986508"></atom>
<atom id="a50" elementType="H" x3="4.712810" y3="-2.909501" z3="-0.815027"></atom>
<atom id="a51" elementType="H" x3="4.335176" y3="-1.338121" z3="-0.105119"></atom>
<atom id="a52" elementType="H" x3="5.726495" y3="-1.516629" z3="-1.172573"></atom>
<atom id="a53" elementType="Cl" x3="-1.908447" y3="1.108039" z3="2.323939"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364462565e+03</scalar>
<scalar title="Time">10.4603</scalar>
<scalar title="Reaction Coordinate">35</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984890" y3="-0.855304" z3="-1.480528"></atom>
<atom id="a1" elementType="C" x3="-2.140033" y3="-2.443290" z3="-0.089061"></atom>
<atom id="a2" elementType="C" x3="0.234664" y3="-2.592021" z3="-0.340076"></atom>
<atom id="a3" elementType="N" x3="-0.946843" y3="-3.035740" z3="0.114969"></atom>
<atom id="a4" elementType="C" x3="0.224991" y3="-1.499850" z3="-1.190975"></atom>
<atom id="a5" elementType="C" x3="-2.171854" y3="-1.309369" z3="-0.859889"></atom>
<atom id="a6" elementType="H" x3="-0.916079" y3="0.534436" z3="0.363957"></atom>
<atom id="a7" elementType="H" x3="-0.923146" y3="-3.815385" z3="0.745346"></atom>
<atom id="a8" elementType="C" x3="-1.061548" y3="0.275019" z3="-2.493300"></atom>
<atom id="a9" elementType="H" x3="-1.886436" y3="0.081591" z3="-3.165636"></atom>
<atom id="a10" elementType="H" x3="-0.148012" y3="0.367250" z3="-3.045708"></atom>
<atom id="a11" elementType="H" x3="-1.262844" y3="1.209261" z3="-1.994301"></atom>
<atom id="a12" elementType="C" x3="-3.321627" y3="-3.081266" z3="0.600336"></atom>
<atom id="a13" elementType="H" x3="-3.761728" y3="-2.380758" z3="1.296881"></atom>
<atom id="a14" elementType="H" x3="-3.007641" y3="-3.963872" z3="1.139810"></atom>
<atom id="a15" elementType="H" x3="-4.081353" y3="-3.339386" z3="-0.118917"></atom>
<atom id="a16" elementType="C" x3="1.458252" y3="-3.299177" z3="0.179948"></atom>
<atom id="a17" elementType="H" x3="1.171877" y3="-4.045848" z3="0.907157"></atom>
<atom id="a18" elementType="H" x3="2.096404" y3="-2.567917" z3="0.668841"></atom>
<atom id="a19" elementType="H" x3="2.000666" y3="-3.754003" z3="-0.630983"></atom>
<atom id="a20" elementType="C" x3="1.525824" y3="-0.935175" z3="-1.677200"></atom>
<atom id="a21" elementType="C" x3="-3.467649" y3="-0.557203" z3="-0.897402"></atom>
<atom id="a22" elementType="O" x3="-4.549079" y3="-1.076209" z3="-0.758265"></atom>
<atom id="a23" elementType="O" x3="1.710849" y3="0.243845" z3="-1.851817"></atom>
<atom id="a24" elementType="C" x3="1.934004" y3="0.244124" z3="1.387381"></atom>
<atom id="a25" elementType="C" x3="-0.467946" y3="0.976411" z3="1.240327"></atom>
<atom id="a26" elementType="C" x3="1.403388" y3="2.539399" z3="0.489965"></atom>
<atom id="a27" elementType="C" x3="-0.036799" y3="2.363428" z3="0.777035"></atom>
<atom id="a28" elementType="C" x3="2.281462" y3="1.573745" z3="0.744645"></atom>
<atom id="a29" elementType="C" x3="0.632347" y3="0.118486" z3="1.754574"></atom>
<atom id="a30" elementType="O" x3="2.867831" y3="-0.602221" z3="1.481889"></atom>
<atom id="a31" elementType="O" x3="-0.829201" y3="3.251226" z3="0.559277"></atom>
<atom id="a32" elementType="Cl" x3="0.187522" y3="-1.321537" z3="2.652414"></atom>
<atom id="a33" elementType="C" x3="1.761738" y3="3.778605" z3="-0.108310"></atom>
<atom id="a34" elementType="C" x3="3.658561" y3="1.722414" z3="0.415160"></atom>
<atom id="a35" elementType="N" x3="4.757884" y3="1.836018" z3="0.140142"></atom>
<atom id="a36" elementType="N" x3="2.034327" y3="4.770177" z3="-0.598853"></atom>
<atom id="a37" elementType="O" x3="2.441128" y3="-1.873575" z3="-1.900511"></atom>
<atom id="a38" elementType="O" x3="-3.297241" y3="0.758850" z3="-0.984145"></atom>
<atom id="a39" elementType="C" x3="-4.456363" y3="1.655361" z3="-0.758591"></atom>
<atom id="a40" elementType="H" x3="-5.233380" y3="1.382445" z3="-1.454386"></atom>
<atom id="a41" elementType="H" x3="-4.800527" y3="1.485476" z3="0.249145"></atom>
<atom id="a42" elementType="C" x3="-3.939945" y3="3.070295" z3="-0.960236"></atom>
<atom id="a43" elementType="H" x3="-3.647443" y3="3.221362" z3="-1.991595"></atom>
<atom id="a44" elementType="H" x3="-3.085479" y3="3.246733" z3="-0.322966"></atom>
<atom id="a45" elementType="H" x3="-4.721650" y3="3.779649" z3="-0.715212"></atom>
<atom id="a46" elementType="C" x3="3.847334" y3="-1.491886" z3="-2.195119"></atom>
<atom id="a47" elementType="H" x3="4.103724" y3="-2.061247" z3="-3.072847"></atom>
<atom id="a48" elementType="H" x3="3.863768" y3="-0.436999" z3="-2.408275"></atom>
<atom id="a49" elementType="C" x3="4.709016" y3="-1.839116" z3="-0.987250"></atom>
<atom id="a50" elementType="H" x3="4.713021" y3="-2.908740" z3="-0.817332"></atom>
<atom id="a51" elementType="H" x3="4.334311" y3="-1.338470" z3="-0.105500"></atom>
<atom id="a52" elementType="H" x3="5.726505" y3="-1.514997" z3="-1.172099"></atom>
<atom id="a53" elementType="Cl" x3="-1.906125" y3="1.116661" z3="2.335162"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364463053e+03</scalar>
<scalar title="Time">10.7593</scalar>
<scalar title="Reaction Coordinate">36</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984814" y3="-0.858776" z3="-1.482744"></atom>
<atom id="a1" elementType="C" x3="-2.138150" y3="-2.445617" z3="-0.088853"></atom>
<atom id="a2" elementType="C" x3="0.236293" y3="-2.593577" z3="-0.341191"></atom>
<atom id="a3" elementType="N" x3="-0.944847" y3="-3.037382" z3="0.115166"></atom>
<atom id="a4" elementType="C" x3="0.225398" y3="-1.502360" z3="-1.193051"></atom>
<atom id="a5" elementType="C" x3="-2.170688" y3="-1.312810" z3="-0.861327"></atom>
<atom id="a6" elementType="H" x3="-0.925592" y3="0.537507" z3="0.371022"></atom>
<atom id="a7" elementType="H" x3="-0.920332" y3="-3.816172" z3="0.746713"></atom>
<atom id="a8" elementType="C" x3="-1.060515" y3="0.273465" z3="-2.493537"></atom>
<atom id="a9" elementType="H" x3="-1.916179" y3="0.113665" z3="-3.134199"></atom>
<atom id="a10" elementType="H" x3="-0.164969" y3="0.332271" z3="-3.079682"></atom>
<atom id="a11" elementType="H" x3="-1.205010" y3="1.215467" z3="-1.987885"></atom>
<atom id="a12" elementType="C" x3="-3.319628" y3="-3.081625" z3="0.602388"></atom>
<atom id="a13" elementType="H" x3="-3.757634" y3="-2.379963" z3="1.299185"></atom>
<atom id="a14" elementType="H" x3="-3.006325" y3="-3.964330" z3="1.142093"></atom>
<atom id="a15" elementType="H" x3="-4.080766" y3="-3.339008" z3="-0.115736"></atom>
<atom id="a16" elementType="C" x3="1.460567" y3="-3.299149" z3="0.179149"></atom>
<atom id="a17" elementType="H" x3="1.174959" y3="-4.046865" z3="0.905607"></atom>
<atom id="a18" elementType="H" x3="2.096935" y3="-2.566865" z3="0.669005"></atom>
<atom id="a19" elementType="H" x3="2.004456" y3="-3.752379" z3="-0.631640"></atom>
<atom id="a20" elementType="C" x3="1.524366" y3="-0.935834" z3="-1.680980"></atom>
<atom id="a21" elementType="C" x3="-3.465580" y3="-0.560212" z3="-0.900128"></atom>
<atom id="a22" elementType="O" x3="-4.547850" y3="-1.077706" z3="-0.762279"></atom>
<atom id="a23" elementType="O" x3="1.704857" y3="0.243296" z3="-1.858812"></atom>
<atom id="a24" elementType="C" x3="1.930452" y3="0.243404" z3="1.386633"></atom>
<atom id="a25" elementType="C" x3="-0.471200" y3="0.979155" z3="1.244388"></atom>
<atom id="a26" elementType="C" x3="1.401991" y3="2.539657" z3="0.490906"></atom>
<atom id="a27" elementType="C" x3="-0.038191" y3="2.364942" z3="0.778630"></atom>
<atom id="a28" elementType="C" x3="2.279140" y3="1.572915" z3="0.744508"></atom>
<atom id="a29" elementType="C" x3="0.629027" y3="0.119070" z3="1.754880"></atom>
<atom id="a30" elementType="O" x3="2.863456" y3="-0.604133" z3="1.479611"></atom>
<atom id="a31" elementType="O" x3="-0.829684" y3="3.253401" z3="0.560170"></atom>
<atom id="a32" elementType="Cl" x3="0.183190" y3="-1.321258" z3="2.651750"></atom>
<atom id="a33" elementType="C" x3="1.761369" y3="3.778957" z3="-0.106581"></atom>
<atom id="a34" elementType="C" x3="3.656234" y3="1.720343" z3="0.414462"></atom>
<atom id="a35" elementType="N" x3="4.755530" y3="1.833031" z3="0.138938"></atom>
<atom id="a36" elementType="N" x3="2.034934" y3="4.770663" z3="-0.596304"></atom>
<atom id="a37" elementType="O" x3="2.442076" y3="-1.872444" z3="-1.902309"></atom>
<atom id="a38" elementType="O" x3="-3.292335" y3="0.755576" z3="-0.987153"></atom>
<atom id="a39" elementType="C" x3="-4.450727" y3="1.653293" z3="-0.761844"></atom>
<atom id="a40" elementType="H" x3="-5.227288" y3="1.381820" z3="-1.458708"></atom>
<atom id="a41" elementType="H" x3="-4.796201" y3="1.482458" z3="0.245271"></atom>
<atom id="a42" elementType="C" x3="-3.933421" y3="3.068116" z3="-0.961183"></atom>
<atom id="a43" elementType="H" x3="-3.638804" y3="3.220017" z3="-1.991791"></atom>
<atom id="a44" elementType="H" x3="-3.080263" y3="3.244058" z3="-0.322125"></atom>
<atom id="a45" elementType="H" x3="-4.715582" y3="3.777299" z3="-0.717114"></atom>
<atom id="a46" elementType="C" x3="3.847875" y3="-1.488932" z3="-2.195831"></atom>
<atom id="a47" elementType="H" x3="4.105364" y3="-2.056216" z3="-3.074609"></atom>
<atom id="a48" elementType="H" x3="3.863548" y3="-0.433576" z3="-2.406890"></atom>
<atom id="a49" elementType="C" x3="4.709101" y3="-1.837962" z3="-0.988144"></atom>
<atom id="a50" elementType="H" x3="4.713348" y3="-2.907877" z3="-0.820094"></atom>
<atom id="a51" elementType="H" x3="4.333581" y3="-1.338916" z3="-0.105825"></atom>
<atom id="a52" elementType="H" x3="5.726580" y3="-1.513147" z3="-1.171791"></atom>
<atom id="a53" elementType="Cl" x3="-1.903640" y3="1.125477" z3="2.346654"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364463528e+03</scalar>
<scalar title="Time">11.058</scalar>
<scalar title="Reaction Coordinate">37</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984748" y3="-0.862255" z3="-1.484873"></atom>
<atom id="a1" elementType="C" x3="-2.136274" y3="-2.448096" z3="-0.088711"></atom>
<atom id="a2" elementType="C" x3="0.237947" y3="-2.595265" z3="-0.342375"></atom>
<atom id="a3" elementType="N" x3="-0.942869" y3="-3.039168" z3="0.115268"></atom>
<atom id="a4" elementType="C" x3="0.225814" y3="-1.504984" z3="-1.195106"></atom>
<atom id="a5" elementType="C" x3="-2.169568" y3="-1.316292" z3="-0.862788"></atom>
<atom id="a6" elementType="H" x3="-0.935514" y3="0.540828" z3="0.378300"></atom>
<atom id="a7" elementType="H" x3="-0.917561" y3="-3.817049" z3="0.747831"></atom>
<atom id="a8" elementType="C" x3="-1.058829" y3="0.271786" z3="-2.493844"></atom>
<atom id="a9" elementType="H" x3="-1.940493" y3="0.144863" z3="-3.103935"></atom>
<atom id="a10" elementType="H" x3="-0.182233" y3="0.298499" z3="-3.111359"></atom>
<atom id="a11" elementType="H" x3="-1.148720" y3="1.218781" z3="-1.984500"></atom>
<atom id="a12" elementType="C" x3="-3.317610" y3="-3.082183" z3="0.604357"></atom>
<atom id="a13" elementType="H" x3="-3.753433" y3="-2.379526" z3="1.301631"></atom>
<atom id="a14" elementType="H" x3="-3.004959" y3="-3.965144" z3="1.144005"></atom>
<atom id="a15" elementType="H" x3="-4.080168" y3="-3.338560" z3="-0.112537"></atom>
<atom id="a16" elementType="C" x3="1.462896" y3="-3.299271" z3="0.178258"></atom>
<atom id="a17" elementType="H" x3="1.178038" y3="-4.048095" z3="0.903895"></atom>
<atom id="a18" elementType="H" x3="2.097387" y3="-2.565969" z3="0.669111"></atom>
<atom id="a19" elementType="H" x3="2.008295" y3="-3.750838" z3="-0.632438"></atom>
<atom id="a20" elementType="C" x3="1.522828" y3="-0.936491" z3="-1.684829"></atom>
<atom id="a21" elementType="C" x3="-3.463594" y3="-0.563268" z3="-0.902687"></atom>
<atom id="a22" elementType="O" x3="-4.546684" y3="-1.079222" z3="-0.766001"></atom>
<atom id="a23" elementType="O" x3="1.698696" y3="0.242704" z3="-1.866205"></atom>
<atom id="a24" elementType="C" x3="1.926753" y3="0.242627" z3="1.385844"></atom>
<atom id="a25" elementType="C" x3="-0.474526" y3="0.982000" z3="1.248550"></atom>
<atom id="a26" elementType="C" x3="1.400544" y3="2.539885" z3="0.491843"></atom>
<atom id="a27" elementType="C" x3="-0.039644" y3="2.366492" z3="0.780222"></atom>
<atom id="a28" elementType="C" x3="2.276731" y3="1.572030" z3="0.744357"></atom>
<atom id="a29" elementType="C" x3="0.625553" y3="0.119630" z3="1.755080"></atom>
<atom id="a30" elementType="O" x3="2.858924" y3="-0.606122" z3="1.477283"></atom>
<atom id="a31" elementType="O" x3="-0.830189" y3="3.255617" z3="0.560989"></atom>
<atom id="a32" elementType="Cl" x3="0.178706" y3="-1.320993" z3="2.651055"></atom>
<atom id="a33" elementType="C" x3="1.760980" y3="3.779281" z3="-0.104821"></atom>
<atom id="a34" elementType="C" x3="3.653825" y3="1.718171" z3="0.413740"></atom>
<atom id="a35" elementType="N" x3="4.753087" y3="1.829900" z3="0.137682"></atom>
<atom id="a36" elementType="N" x3="2.035531" y3="4.771131" z3="-0.593693"></atom>
<atom id="a37" elementType="O" x3="2.443105" y3="-1.871139" z3="-1.903921"></atom>
<atom id="a38" elementType="O" x3="-3.287564" y3="0.752279" z3="-0.989896"></atom>
<atom id="a39" elementType="C" x3="-4.445097" y3="1.651385" z3="-0.765234"></atom>
<atom id="a40" elementType="H" x3="-5.221119" y3="1.381365" z3="-1.463278"></atom>
<atom id="a41" elementType="H" x3="-4.792108" y3="1.479869" z3="0.241287"></atom>
<atom id="a42" elementType="C" x3="-3.926530" y3="3.065937" z3="-0.962475"></atom>
<atom id="a43" elementType="H" x3="-3.629724" y3="3.218450" z3="-1.992362"></atom>
<atom id="a44" elementType="H" x3="-3.074659" y3="3.241242" z3="-0.321636"></atom>
<atom id="a45" elementType="H" x3="-4.708971" y3="3.775221" z3="-0.719492"></atom>
<atom id="a46" elementType="C" x3="3.848395" y3="-1.485516" z3="-2.196470"></atom>
<atom id="a47" elementType="H" x3="4.106906" y3="-2.050396" z3="-3.076503"></atom>
<atom id="a48" elementType="H" x3="3.863124" y3="-0.429635" z3="-2.405087"></atom>
<atom id="a49" elementType="C" x3="4.709310" y3="-1.836643" z3="-0.989170"></atom>
<atom id="a50" elementType="H" x3="4.713870" y3="-2.906894" z3="-0.823293"></atom>
<atom id="a51" elementType="H" x3="4.333039" y3="-1.339474" z3="-0.106158"></atom>
<atom id="a52" elementType="H" x3="5.726750" y3="-1.511040" z3="-1.171631"></atom>
<atom id="a53" elementType="Cl" x3="-1.900974" y3="1.134563" z3="2.358512"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364463984e+03</scalar>
<scalar title="Time">11.3569</scalar>
<scalar title="Reaction Coordinate">38</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984605" y3="-0.865688" z3="-1.486936"></atom>
<atom id="a1" elementType="C" x3="-2.134377" y3="-2.450689" z3="-0.088697"></atom>
<atom id="a2" elementType="C" x3="0.239630" y3="-2.597074" z3="-0.343652"></atom>
<atom id="a3" elementType="N" x3="-0.940878" y3="-3.041103" z3="0.115212"></atom>
<atom id="a4" elementType="C" x3="0.226262" y3="-1.507645" z3="-1.197136"></atom>
<atom id="a5" elementType="C" x3="-2.168475" y3="-1.319794" z3="-0.864240"></atom>
<atom id="a6" elementType="H" x3="-0.945850" y3="0.544304" z3="0.385828"></atom>
<atom id="a7" elementType="H" x3="-0.914803" y3="-3.818215" z3="0.748759"></atom>
<atom id="a8" elementType="C" x3="-1.056549" y3="0.269557" z3="-2.494705"></atom>
<atom id="a9" elementType="H" x3="-1.960043" y3="0.173322" z3="-3.076551"></atom>
<atom id="a10" elementType="H" x3="-0.198930" y3="0.267144" z3="-3.139405"></atom>
<atom id="a11" elementType="H" x3="-1.095921" y3="1.219806" z3="-1.984011"></atom>
<atom id="a12" elementType="C" x3="-3.315540" y3="-3.082925" z3="0.606237"></atom>
<atom id="a13" elementType="H" x3="-3.748834" y3="-2.379344" z3="1.304227"></atom>
<atom id="a14" elementType="H" x3="-3.003571" y3="-3.966303" z3="1.145579"></atom>
<atom id="a15" elementType="H" x3="-4.079740" y3="-3.338027" z3="-0.109402"></atom>
<atom id="a16" elementType="C" x3="1.465243" y3="-3.299567" z3="0.177256"></atom>
<atom id="a17" elementType="H" x3="1.181168" y3="-4.049536" z3="0.902032"></atom>
<atom id="a18" elementType="H" x3="2.097896" y3="-2.565241" z3="0.669158"></atom>
<atom id="a19" elementType="H" x3="2.012158" y3="-3.749412" z3="-0.633300"></atom>
<atom id="a20" elementType="C" x3="1.521297" y3="-0.937169" z3="-1.688747"></atom>
<atom id="a21" elementType="C" x3="-3.461673" y3="-0.566363" z3="-0.905049"></atom>
<atom id="a22" elementType="O" x3="-4.545574" y3="-1.080796" z3="-0.769502"></atom>
<atom id="a23" elementType="O" x3="1.692546" y3="0.242053" z3="-1.873961"></atom>
<atom id="a24" elementType="C" x3="1.922875" y3="0.241776" z3="1.384981"></atom>
<atom id="a25" elementType="C" x3="-0.478040" y3="0.984945" z3="1.252830"></atom>
<atom id="a26" elementType="C" x3="1.399008" y3="2.540081" z3="0.492775"></atom>
<atom id="a27" elementType="C" x3="-0.041205" y3="2.368077" z3="0.781807"></atom>
<atom id="a28" elementType="C" x3="2.274195" y3="1.571071" z3="0.744176"></atom>
<atom id="a29" elementType="C" x3="0.621898" y3="0.120169" z3="1.755234"></atom>
<atom id="a30" elementType="O" x3="2.854165" y3="-0.608212" z3="1.474866"></atom>
<atom id="a31" elementType="O" x3="-0.830719" y3="3.257935" z3="0.561820"></atom>
<atom id="a32" elementType="Cl" x3="0.174002" y3="-1.320733" z3="2.650295"></atom>
<atom id="a33" elementType="C" x3="1.760562" y3="3.779581" z3="-0.103018"></atom>
<atom id="a34" elementType="C" x3="3.651291" y3="1.715869" z3="0.412978"></atom>
<atom id="a35" elementType="N" x3="4.750520" y3="1.826579" z3="0.136354"></atom>
<atom id="a36" elementType="N" x3="2.036133" y3="4.771589" z3="-0.590988"></atom>
<atom id="a37" elementType="O" x3="2.444272" y3="-1.869713" z3="-1.905380"></atom>
<atom id="a38" elementType="O" x3="-3.282964" y3="0.748988" z3="-0.992202"></atom>
<atom id="a39" elementType="C" x3="-4.439539" y3="1.649662" z3="-0.768700"></atom>
<atom id="a40" elementType="H" x3="-5.214869" y3="1.381052" z3="-1.468053"></atom>
<atom id="a41" elementType="H" x3="-4.788350" y3="1.477829" z3="0.237134"></atom>
<atom id="a42" elementType="C" x3="-3.919285" y3="3.063762" z3="-0.964120"></atom>
<atom id="a43" elementType="H" x3="-3.620163" y3="3.216577" z3="-1.993264"></atom>
<atom id="a44" elementType="H" x3="-3.068710" y3="3.238307" z3="-0.321473"></atom>
<atom id="a45" elementType="H" x3="-4.701772" y3="3.773434" z3="-0.722448"></atom>
<atom id="a46" elementType="C" x3="3.848945" y3="-1.481650" z3="-2.197040"></atom>
<atom id="a47" elementType="H" x3="4.108501" y3="-2.043777" z3="-3.078548"></atom>
<atom id="a48" elementType="H" x3="3.862521" y3="-0.425183" z3="-2.402855"></atom>
<atom id="a49" elementType="C" x3="4.709693" y3="-1.835144" z3="-0.990338"></atom>
<atom id="a50" elementType="H" x3="4.714683" y3="-2.905777" z3="-0.826962"></atom>
<atom id="a51" elementType="H" x3="4.332685" y3="-1.340123" z3="-0.106430"></atom>
<atom id="a52" elementType="H" x3="5.727021" y3="-1.508579" z3="-1.171573"></atom>
<atom id="a53" elementType="Cl" x3="-1.898062" y3="1.144043" z3="2.370888"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364464418e+03</scalar>
<scalar title="Time">11.6554</scalar>
<scalar title="Reaction Coordinate">39</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984372" y3="-0.869213" z3="-1.489068"></atom>
<atom id="a1" elementType="C" x3="-2.132454" y3="-2.453360" z3="-0.088813"></atom>
<atom id="a2" elementType="C" x3="0.241389" y3="-2.598993" z3="-0.345009"></atom>
<atom id="a3" elementType="N" x3="-0.938853" y3="-3.043180" z3="0.114974"></atom>
<atom id="a4" elementType="C" x3="0.226806" y3="-1.510405" z3="-1.199215"></atom>
<atom id="a5" elementType="C" x3="-2.167341" y3="-1.323299" z3="-0.865764"></atom>
<atom id="a6" elementType="H" x3="-0.956602" y3="0.548203" z3="0.393604"></atom>
<atom id="a7" elementType="H" x3="-0.912034" y3="-3.819489" z3="0.749424"></atom>
<atom id="a8" elementType="C" x3="-1.054041" y3="0.266861" z3="-2.496088"></atom>
<atom id="a9" elementType="H" x3="-1.974749" y3="0.198350" z3="-3.052499"></atom>
<atom id="a10" elementType="H" x3="-0.214503" y3="0.238243" z3="-3.164683"></atom>
<atom id="a11" elementType="H" x3="-1.048146" y3="1.218368" z3="-1.985987"></atom>
<atom id="a12" elementType="C" x3="-3.313395" y3="-3.083835" z3="0.607990"></atom>
<atom id="a13" elementType="H" x3="-3.744072" y3="-2.379549" z3="1.307033"></atom>
<atom id="a14" elementType="H" x3="-3.002101" y3="-3.967836" z3="1.146696"></atom>
<atom id="a15" elementType="H" x3="-4.079348" y3="-3.337356" z3="-0.106263"></atom>
<atom id="a16" elementType="C" x3="1.467615" y3="-3.300034" z3="0.176151"></atom>
<atom id="a17" elementType="H" x3="1.184244" y3="-4.051262" z3="0.899930"></atom>
<atom id="a18" elementType="H" x3="2.098315" y3="-2.564774" z3="0.669224"></atom>
<atom id="a19" elementType="H" x3="2.016154" y3="-3.748022" z3="-0.634344"></atom>
<atom id="a20" elementType="C" x3="1.519868" y3="-0.937901" z3="-1.692713"></atom>
<atom id="a21" elementType="C" x3="-3.459825" y3="-0.569467" z3="-0.907224"></atom>
<atom id="a22" elementType="O" x3="-4.544493" y3="-1.082443" z3="-0.772830"></atom>
<atom id="a23" elementType="O" x3="1.686601" y3="0.241277" z3="-1.881973"></atom>
<atom id="a24" elementType="C" x3="1.918773" y3="0.240861" z3="1.384034"></atom>
<atom id="a25" elementType="C" x3="-0.481690" y3="0.988068" z3="1.257264"></atom>
<atom id="a26" elementType="C" x3="1.397379" y3="2.540257" z3="0.493686"></atom>
<atom id="a27" elementType="C" x3="-0.042855" y3="2.369754" z3="0.783428"></atom>
<atom id="a28" elementType="C" x3="2.271508" y3="1.570042" z3="0.743943"></atom>
<atom id="a29" elementType="C" x3="0.618000" y3="0.120699" z3="1.755263"></atom>
<atom id="a30" elementType="O" x3="2.849149" y3="-0.610424" z3="1.472333"></atom>
<atom id="a31" elementType="O" x3="-0.831286" y3="3.260394" z3="0.562721"></atom>
<atom id="a32" elementType="Cl" x3="0.169032" y3="-1.320478" z3="2.649453"></atom>
<atom id="a33" elementType="C" x3="1.760115" y3="3.779862" z3="-0.101176"></atom>
<atom id="a34" elementType="C" x3="3.648614" y3="1.713416" z3="0.412157"></atom>
<atom id="a35" elementType="N" x3="4.747806" y3="1.823041" z3="0.134949"></atom>
<atom id="a36" elementType="N" x3="2.036752" y3="4.772039" z3="-0.588189"></atom>
<atom id="a37" elementType="O" x3="2.445633" y3="-1.868230" z3="-1.906699"></atom>
<atom id="a38" elementType="O" x3="-3.278567" y3="0.745717" z3="-0.993979"></atom>
<atom id="a39" elementType="C" x3="-4.434093" y3="1.648126" z3="-0.772161"></atom>
<atom id="a40" elementType="H" x3="-5.208626" y3="1.380860" z3="-1.472938"></atom>
<atom id="a41" elementType="H" x3="-4.784976" y3="1.476371" z3="0.233011"></atom>
<atom id="a42" elementType="C" x3="-3.911763" y3="3.061599" z3="-0.966115"></atom>
<atom id="a43" elementType="H" x3="-3.610166" y3="3.214316" z3="-1.994560"></atom>
<atom id="a44" elementType="H" x3="-3.062502" y3="3.235336" z3="-0.321613"></atom>
<atom id="a45" elementType="H" x3="-4.694132" y3="3.771985" z3="-0.726057"></atom>
<atom id="a46" elementType="C" x3="3.849594" y3="-1.477400" z3="-2.197549"></atom>
<atom id="a47" elementType="H" x3="4.110170" y3="-2.036477" z3="-3.080709"></atom>
<atom id="a48" elementType="H" x3="3.861807" y3="-0.420303" z3="-2.400250"></atom>
<atom id="a49" elementType="C" x3="4.710306" y3="-1.833458" z3="-0.991608"></atom>
<atom id="a50" elementType="H" x3="4.715865" y3="-2.904505" z3="-0.831005"></atom>
<atom id="a51" elementType="H" x3="4.332517" y3="-1.340869" z3="-0.106723"></atom>
<atom id="a52" elementType="H" x3="5.727503" y3="-1.505770" z3="-1.171620"></atom>
<atom id="a53" elementType="Cl" x3="-1.894874" y3="1.153971" z3="2.383839"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364464830e+03</scalar>
<scalar title="Time">11.9543</scalar>
<scalar title="Reaction Coordinate">40</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.984050" y3="-0.872677" z3="-1.491223"></atom>
<atom id="a1" elementType="C" x3="-2.130507" y3="-2.456040" z3="-0.089071"></atom>
<atom id="a2" elementType="C" x3="0.243186" y3="-2.600987" z3="-0.346458"></atom>
<atom id="a3" elementType="N" x3="-0.936807" y3="-3.045332" z3="0.114528"></atom>
<atom id="a4" elementType="C" x3="0.227449" y3="-1.513150" z3="-1.201336"></atom>
<atom id="a5" elementType="C" x3="-2.166208" y3="-1.326738" z3="-0.867290"></atom>
<atom id="a6" elementType="H" x3="-0.967699" y3="0.552333" z3="0.401590"></atom>
<atom id="a7" elementType="H" x3="-0.909307" y3="-3.820994" z3="0.749777"></atom>
<atom id="a8" elementType="C" x3="-1.051423" y3="0.263421" z3="-2.498300"></atom>
<atom id="a9" elementType="H" x3="-1.986237" y3="0.219703" z3="-3.032054"></atom>
<atom id="a10" elementType="H" x3="-0.229271" y3="0.211314" z3="-3.186980"></atom>
<atom id="a11" elementType="H" x3="-1.004947" y3="1.215245" z3="-1.990626"></atom>
<atom id="a12" elementType="C" x3="-3.311178" y3="-3.084899" z3="0.609567"></atom>
<atom id="a13" elementType="H" x3="-3.739080" y3="-2.380091" z3="1.309878"></atom>
<atom id="a14" elementType="H" x3="-3.000527" y3="-3.969678" z3="1.147354"></atom>
<atom id="a15" elementType="H" x3="-4.078962" y3="-3.336607" z3="-0.103333"></atom>
<atom id="a16" elementType="C" x3="1.469997" y3="-3.300652" z3="0.174956"></atom>
<atom id="a17" elementType="H" x3="1.187255" y3="-4.053190" z3="0.897632"></atom>
<atom id="a18" elementType="H" x3="2.098721" y3="-2.564425" z3="0.669337"></atom>
<atom id="a19" elementType="H" x3="2.020133" y3="-3.746706" z3="-0.635479"></atom>
<atom id="a20" elementType="C" x3="1.518642" y3="-0.938685" z3="-1.696666"></atom>
<atom id="a21" elementType="C" x3="-3.458053" y3="-0.572522" z3="-0.909159"></atom>
<atom id="a22" elementType="O" x3="-4.543440" y3="-1.084159" z3="-0.776002"></atom>
<atom id="a23" elementType="O" x3="1.681092" y3="0.240395" z3="-1.890009"></atom>
<atom id="a24" elementType="C" x3="1.914481" y3="0.239880" z3="1.382981"></atom>
<atom id="a25" elementType="C" x3="-0.485515" y3="0.991325" z3="1.261793"></atom>
<atom id="a26" elementType="C" x3="1.395670" y3="2.540419" z3="0.494576"></atom>
<atom id="a27" elementType="C" x3="-0.044594" y3="2.371511" z3="0.785073"></atom>
<atom id="a28" elementType="C" x3="2.268692" y3="1.568943" z3="0.743653"></atom>
<atom id="a29" elementType="C" x3="0.613930" y3="0.121202" z3="1.755192"></atom>
<atom id="a30" elementType="O" x3="2.843910" y3="-0.612734" z3="1.469697"></atom>
<atom id="a31" elementType="O" x3="-0.831874" y3="3.263008" z3="0.563745"></atom>
<atom id="a32" elementType="Cl" x3="0.163833" y3="-1.320221" z3="2.648509"></atom>
<atom id="a33" elementType="C" x3="1.759651" y3="3.780130" z3="-0.099319"></atom>
<atom id="a34" elementType="C" x3="3.645813" y3="1.710835" z3="0.411277"></atom>
<atom id="a35" elementType="N" x3="4.744976" y3="1.819313" z3="0.133478"></atom>
<atom id="a36" elementType="N" x3="2.037389" y3="4.772487" z3="-0.585329"></atom>
<atom id="a37" elementType="O" x3="2.447220" y3="-1.866768" z3="-1.907881"></atom>
<atom id="a38" elementType="O" x3="-3.274439" y3="0.742552" z3="-0.995077"></atom>
<atom id="a39" elementType="C" x3="-4.428905" y3="1.646803" z3="-0.775490"></atom>
<atom id="a40" elementType="H" x3="-5.202453" y3="1.380669" z3="-1.477774"></atom>
<atom id="a41" elementType="H" x3="-4.782064" y3="1.475556" z3="0.228953"></atom>
<atom id="a42" elementType="C" x3="-3.904181" y3="3.059485" z3="-0.968428"></atom>
<atom id="a43" elementType="H" x3="-3.599978" y3="3.211657" z3="-1.996167"></atom>
<atom id="a44" elementType="H" x3="-3.056266" y3="3.232440" z3="-0.322054"></atom>
<atom id="a45" elementType="H" x3="-4.686243" y3="3.770856" z3="-0.730320"></atom>
<atom id="a46" elementType="C" x3="3.850392" y3="-1.472913" z3="-2.197984"></atom>
<atom id="a47" elementType="H" x3="4.112007" y3="-2.028726" z3="-3.082912"></atom>
<atom id="a48" elementType="H" x3="3.861040" y3="-0.415164" z3="-2.397373"></atom>
<atom id="a49" elementType="C" x3="4.711195" y3="-1.831607" z3="-0.992949"></atom>
<atom id="a50" elementType="H" x3="4.717502" y3="-2.903085" z3="-0.835296"></atom>
<atom id="a51" elementType="H" x3="4.332596" y3="-1.341624" z3="-0.106971"></atom>
<atom id="a52" elementType="H" x3="5.728160" y3="-1.502592" z3="-1.171694"></atom>
<atom id="a53" elementType="Cl" x3="-1.891425" y3="1.164240" z3="2.397219"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364465221e+03</scalar>
<scalar title="Time">12.2525</scalar>
<scalar title="Reaction Coordinate">41</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.983568" y3="-0.876252" z3="-1.493527"></atom>
<atom id="a1" elementType="C" x3="-2.128513" y3="-2.458736" z3="-0.089460"></atom>
<atom id="a2" elementType="C" x3="0.245056" y3="-2.603046" z3="-0.348034"></atom>
<atom id="a3" elementType="N" x3="-0.934715" y3="-3.047572" z3="0.113885"></atom>
<atom id="a4" elementType="C" x3="0.228230" y3="-1.515931" z3="-1.203537"></atom>
<atom id="a5" elementType="C" x3="-2.165001" y3="-1.330151" z3="-0.868832"></atom>
<atom id="a6" elementType="H" x3="-0.979158" y3="0.556860" z3="0.409829"></atom>
<atom id="a7" elementType="H" x3="-0.906552" y3="-3.822576" z3="0.749896"></atom>
<atom id="a8" elementType="C" x3="-1.049093" y3="0.259558" z3="-2.501037"></atom>
<atom id="a9" elementType="H" x3="-1.994579" y3="0.236453" z3="-3.015431"></atom>
<atom id="a10" elementType="H" x3="-0.242101" y3="0.187569" z3="-3.206745"></atom>
<atom id="a11" elementType="H" x3="-0.968452" y3="1.210890" z3="-1.996574"></atom>
<atom id="a12" elementType="C" x3="-3.308908" y3="-3.086080" z3="0.610976"></atom>
<atom id="a13" elementType="H" x3="-3.733718" y3="-2.380896" z3="1.312878"></atom>
<atom id="a14" elementType="H" x3="-2.998939" y3="-3.971860" z3="1.147508"></atom>
<atom id="a15" elementType="H" x3="-4.078696" y3="-3.335657" z3="-0.100506"></atom>
<atom id="a16" elementType="C" x3="1.472354" y3="-3.301420" z3="0.173658"></atom>
<atom id="a17" elementType="H" x3="1.190272" y3="-4.055349" z3="0.895184"></atom>
<atom id="a18" elementType="H" x3="2.099146" y3="-2.564366" z3="0.669357"></atom>
<atom id="a19" elementType="H" x3="2.024277" y3="-3.745458" z3="-0.636638"></atom>
<atom id="a20" elementType="C" x3="1.517662" y3="-0.939578" z3="-1.700596"></atom>
<atom id="a21" elementType="C" x3="-3.456307" y3="-0.575532" z3="-0.910920"></atom>
<atom id="a22" elementType="O" x3="-4.542381" y3="-1.085927" z3="-0.779087"></atom>
<atom id="a23" elementType="O" x3="1.676057" y3="0.239382" z3="-1.897993"></atom>
<atom id="a24" elementType="C" x3="1.909992" y3="0.238837" z3="1.381830"></atom>
<atom id="a25" elementType="C" x3="-0.489418" y3="0.994783" z3="1.266453"></atom>
<atom id="a26" elementType="C" x3="1.393868" y3="2.540584" z3="0.495439"></atom>
<atom id="a27" elementType="C" x3="-0.046408" y3="2.373393" z3="0.786761"></atom>
<atom id="a28" elementType="C" x3="2.265725" y3="1.567788" z3="0.743293"></atom>
<atom id="a29" elementType="C" x3="0.609631" y3="0.121713" z3="1.754999"></atom>
<atom id="a30" elementType="O" x3="2.838408" y3="-0.615148" z3="1.466902"></atom>
<atom id="a31" elementType="O" x3="-0.832503" y3="3.265792" z3="0.564890"></atom>
<atom id="a32" elementType="Cl" x3="0.158365" y3="-1.319965" z3="2.647451"></atom>
<atom id="a33" elementType="C" x3="1.759165" y3="3.780388" z3="-0.097452"></atom>
<atom id="a34" elementType="C" x3="3.642861" y3="1.708117" z3="0.410312"></atom>
<atom id="a35" elementType="N" x3="4.741999" y3="1.815380" z3="0.131930"></atom>
<atom id="a36" elementType="N" x3="2.038049" y3="4.772930" z3="-0.582417"></atom>
<atom id="a37" elementType="O" x3="2.449047" y3="-1.865375" z3="-1.908960"></atom>
<atom id="a38" elementType="O" x3="-3.270483" y3="0.739454" z3="-0.995658"></atom>
<atom id="a39" elementType="C" x3="-4.423886" y3="1.645612" z3="-0.778664"></atom>
<atom id="a40" elementType="H" x3="-5.196493" y3="1.380498" z3="-1.482417"></atom>
<atom id="a41" elementType="H" x3="-4.779372" y3="1.475217" z3="0.225150"></atom>
<atom id="a42" elementType="C" x3="-3.896618" y3="3.057403" z3="-0.971026"></atom>
<atom id="a43" elementType="H" x3="-3.589629" y3="3.208595" z3="-1.998090"></atom>
<atom id="a44" elementType="H" x3="-3.050142" y3="3.229736" z3="-0.322703"></atom>
<atom id="a45" elementType="H" x3="-4.678334" y3="3.769957" z3="-0.735276"></atom>
<atom id="a46" elementType="C" x3="3.851389" y3="-1.468289" z3="-2.198363"></atom>
<atom id="a47" elementType="H" x3="4.114026" y3="-2.020725" z3="-3.085108"></atom>
<atom id="a48" elementType="H" x3="3.860338" y3="-0.409881" z3="-2.394331"></atom>
<atom id="a49" elementType="C" x3="4.712374" y3="-1.829608" z3="-0.994306"></atom>
<atom id="a50" elementType="H" x3="4.719646" y3="-2.901527" z3="-0.839751"></atom>
<atom id="a51" elementType="H" x3="4.332877" y3="-1.342438" z3="-0.107177"></atom>
<atom id="a52" elementType="H" x3="5.729063" y3="-1.499029" z3="-1.171776"></atom>
<atom id="a53" elementType="Cl" x3="-1.887690" y3="1.174889" z3="2.411070"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364465594e+03</scalar>
<scalar title="Time">12.5505</scalar>
<scalar title="Reaction Coordinate">42</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.983036" y3="-0.879771" z3="-1.495883"></atom>
<atom id="a1" elementType="C" x3="-2.126486" y3="-2.461428" z3="-0.089950"></atom>
<atom id="a2" elementType="C" x3="0.246963" y3="-2.605152" z3="-0.349707"></atom>
<atom id="a3" elementType="N" x3="-0.932580" y3="-3.049865" z3="0.113050"></atom>
<atom id="a4" elementType="C" x3="0.229125" y3="-1.518704" z3="-1.205850"></atom>
<atom id="a5" elementType="C" x3="-2.163745" y3="-1.333475" z3="-0.870351"></atom>
<atom id="a6" elementType="H" x3="-0.990838" y3="0.561531" z3="0.418289"></atom>
<atom id="a7" elementType="H" x3="-0.903793" y3="-3.824326" z3="0.749712"></atom>
<atom id="a8" elementType="C" x3="-1.047026" y3="0.255192" z3="-2.504351"></atom>
<atom id="a9" elementType="H" x3="-2.001145" y3="0.249546" z3="-3.002373"></atom>
<atom id="a10" elementType="H" x3="-0.253692" y3="0.166382" z3="-3.223621"></atom>
<atom id="a11" elementType="H" x3="-0.937793" y3="1.205716" z3="-2.003556"></atom>
<atom id="a12" elementType="C" x3="-3.306565" y3="-3.087377" z3="0.612191"></atom>
<atom id="a13" elementType="H" x3="-3.728359" y3="-2.382026" z3="1.315913"></atom>
<atom id="a14" elementType="H" x3="-2.997226" y3="-3.974289" z3="1.147187"></atom>
<atom id="a15" elementType="H" x3="-4.078360" y3="-3.334584" z3="-0.097849"></atom>
<atom id="a16" elementType="C" x3="1.474743" y3="-3.302312" z3="0.172270"></atom>
<atom id="a17" elementType="H" x3="1.193163" y3="-4.057618" z3="0.892544"></atom>
<atom id="a18" elementType="H" x3="2.099471" y3="-2.564339" z3="0.669435"></atom>
<atom id="a19" elementType="H" x3="2.028320" y3="-3.744316" z3="-0.637965"></atom>
<atom id="a20" elementType="C" x3="1.516952" y3="-0.940546" z3="-1.704484"></atom>
<atom id="a21" elementType="C" x3="-3.454572" y3="-0.578474" z3="-0.912514"></atom>
<atom id="a22" elementType="O" x3="-4.541287" y3="-1.087728" z3="-0.782099"></atom>
<atom id="a23" elementType="O" x3="1.671563" y3="0.238246" z3="-1.905794"></atom>
<atom id="a24" elementType="C" x3="1.905319" y3="0.237751" z3="1.380557"></atom>
<atom id="a25" elementType="C" x3="-0.493450" y3="0.998369" z3="1.271226"></atom>
<atom id="a26" elementType="C" x3="1.391991" y3="2.540764" z3="0.496282"></atom>
<atom id="a27" elementType="C" x3="-0.048291" y3="2.375366" z3="0.788486"></atom>
<atom id="a28" elementType="C" x3="2.262627" y3="1.566590" z3="0.742867"></atom>
<atom id="a29" elementType="C" x3="0.605186" y3="0.122230" z3="1.754727"></atom>
<atom id="a30" elementType="O" x3="2.832704" y3="-0.617665" z3="1.463958"></atom>
<atom id="a31" elementType="O" x3="-0.833172" y3="3.268712" z3="0.566147"></atom>
<atom id="a32" elementType="Cl" x3="0.152661" y3="-1.319701" z3="2.646266"></atom>
<atom id="a33" elementType="C" x3="1.758663" y3="3.780650" z3="-0.095589"></atom>
<atom id="a34" elementType="C" x3="3.639782" y3="1.705290" z3="0.409268"></atom>
<atom id="a35" elementType="N" x3="4.738900" y3="1.811267" z3="0.130299"></atom>
<atom id="a36" elementType="N" x3="2.038735" y3="4.773372" z3="-0.579486"></atom>
<atom id="a37" elementType="O" x3="2.451106" y3="-1.864090" z3="-1.909960"></atom>
<atom id="a38" elementType="O" x3="-3.266688" y3="0.736463" z3="-0.995761"></atom>
<atom id="a39" elementType="C" x3="-4.419064" y3="1.644522" z3="-0.781639"></atom>
<atom id="a40" elementType="H" x3="-5.190604" y3="1.380129" z3="-1.486824"></atom>
<atom id="a41" elementType="H" x3="-4.776916" y3="1.475322" z3="0.221516"></atom>
<atom id="a42" elementType="C" x3="-3.889211" y3="3.055354" z3="-0.973865"></atom>
<atom id="a43" elementType="H" x3="-3.579354" y3="3.205176" z3="-2.000255"></atom>
<atom id="a44" elementType="H" x3="-3.044226" y3="3.227277" z3="-0.323581"></atom>
<atom id="a45" elementType="H" x3="-4.670554" y3="3.769190" z3="-0.740800"></atom>
<atom id="a46" elementType="C" x3="3.852584" y3="-1.463652" z3="-2.198673"></atom>
<atom id="a47" elementType="H" x3="4.116305" y3="-2.012668" z3="-3.087240"></atom>
<atom id="a48" elementType="H" x3="3.859700" y3="-0.404612" z3="-2.391213"></atom>
<atom id="a49" elementType="C" x3="4.713834" y3="-1.827487" z3="-0.995636"></atom>
<atom id="a50" elementType="H" x3="4.722265" y3="-2.899848" z3="-0.844212"></atom>
<atom id="a51" elementType="H" x3="4.333363" y3="-1.343211" z3="-0.107368"></atom>
<atom id="a52" elementType="H" x3="5.730155" y3="-1.495170" z3="-1.171816"></atom>
<atom id="a53" elementType="Cl" x3="-1.883676" y3="1.185845" z3="2.425285"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364465954e+03</scalar>
<scalar title="Time">12.8488</scalar>
<scalar title="Reaction Coordinate">43</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.982385" y3="-0.883329" z3="-1.498352"></atom>
<atom id="a1" elementType="C" x3="-2.124427" y3="-2.464083" z3="-0.090550"></atom>
<atom id="a2" elementType="C" x3="0.248912" y3="-2.607285" z3="-0.351504"></atom>
<atom id="a3" elementType="N" x3="-0.930418" y3="-3.052198" z3="0.112032"></atom>
<atom id="a4" elementType="C" x3="0.230126" y3="-1.521456" z3="-1.208241"></atom>
<atom id="a5" elementType="C" x3="-2.162425" y3="-1.336741" z3="-0.871872"></atom>
<atom id="a6" elementType="H" x3="-1.002679" y3="0.566568" z3="0.426880"></atom>
<atom id="a7" elementType="H" x3="-0.901039" y3="-3.826190" z3="0.749242"></atom>
<atom id="a8" elementType="C" x3="-1.045397" y3="0.250579" z3="-2.508007"></atom>
<atom id="a9" elementType="H" x3="-2.005912" y3="0.259096" z3="-2.992189"></atom>
<atom id="a10" elementType="H" x3="-0.263747" y3="0.147449" z3="-3.238861"></atom>
<atom id="a11" elementType="H" x3="-0.911963" y3="1.200072" z3="-2.011259"></atom>
<atom id="a12" elementType="C" x3="-3.304167" y3="-3.088772" z3="0.613245"></atom>
<atom id="a13" elementType="H" x3="-3.722744" y3="-2.383479" z3="1.318961"></atom>
<atom id="a14" elementType="H" x3="-2.995539" y3="-3.977002" z3="1.146481"></atom>
<atom id="a15" elementType="H" x3="-4.078100" y3="-3.333420" z3="-0.095394"></atom>
<atom id="a16" elementType="C" x3="1.477098" y3="-3.303295" z3="0.170790"></atom>
<atom id="a17" elementType="H" x3="1.196042" y3="-4.060054" z3="0.889796"></atom>
<atom id="a18" elementType="H" x3="2.099833" y3="-2.564550" z3="0.669426"></atom>
<atom id="a19" elementType="H" x3="2.032522" y3="-3.743198" z3="-0.639294"></atom>
<atom id="a20" elementType="C" x3="1.516507" y3="-0.941603" z3="-1.708284"></atom>
<atom id="a21" elementType="C" x3="-3.452839" y3="-0.581326" z3="-0.913950"></atom>
<atom id="a22" elementType="O" x3="-4.540164" y3="-1.089543" z3="-0.785059"></atom>
<atom id="a23" elementType="O" x3="1.667630" y3="0.237025" z3="-1.913299"></atom>
<atom id="a24" elementType="C" x3="1.900513" y3="0.236633" z3="1.379192"></atom>
<atom id="a25" elementType="C" x3="-0.497531" y3="1.002110" z3="1.276068"></atom>
<atom id="a26" elementType="C" x3="1.390055" y3="2.540965" z3="0.497108"></atom>
<atom id="a27" elementType="C" x3="-0.050223" y3="2.377436" z3="0.790242"></atom>
<atom id="a28" elementType="C" x3="2.259429" y3="1.565368" z3="0.742382"></atom>
<atom id="a29" elementType="C" x3="0.600599" y3="0.122755" z3="1.754369"></atom>
<atom id="a30" elementType="O" x3="2.826812" y3="-0.620249" z3="1.460849"></atom>
<atom id="a31" elementType="O" x3="-0.833877" y3="3.271754" z3="0.567495"></atom>
<atom id="a32" elementType="Cl" x3="0.146756" y3="-1.319433" z3="2.644957"></atom>
<atom id="a33" elementType="C" x3="1.758151" y3="3.780915" z3="-0.093743"></atom>
<atom id="a34" elementType="C" x3="3.636599" y3="1.702373" z3="0.408143"></atom>
<atom id="a35" elementType="N" x3="4.735701" y3="1.807006" z3="0.128591"></atom>
<atom id="a36" elementType="N" x3="2.039444" y3="4.773811" z3="-0.576569"></atom>
<atom id="a37" elementType="O" x3="2.453363" y3="-1.862931" z3="-1.910879"></atom>
<atom id="a38" elementType="O" x3="-3.263047" y3="0.733580" z3="-0.995409"></atom>
<atom id="a39" elementType="C" x3="-4.414464" y3="1.643495" z3="-0.784388"></atom>
<atom id="a40" elementType="H" x3="-5.184988" y3="1.379626" z3="-1.490909"></atom>
<atom id="a41" elementType="H" x3="-4.774613" y3="1.475725" z3="0.218219"></atom>
<atom id="a42" elementType="C" x3="-3.882092" y3="3.053342" z3="-0.976902"></atom>
<atom id="a43" elementType="H" x3="-3.569338" y3="3.201462" z3="-2.002668"></atom>
<atom id="a44" elementType="H" x3="-3.038636" y3="3.225099" z3="-0.324674"></atom>
<atom id="a45" elementType="H" x3="-4.663088" y3="3.768526" z3="-0.746790"></atom>
<atom id="a46" elementType="C" x3="3.853989" y3="-1.459113" z3="-2.198928"></atom>
<atom id="a47" elementType="H" x3="4.118712" y3="-2.004797" z3="-3.089245"></atom>
<atom id="a48" elementType="H" x3="3.859227" y3="-0.399466" z3="-2.388135"></atom>
<atom id="a49" elementType="C" x3="4.715556" y3="-1.825288" z3="-0.996898"></atom>
<atom id="a50" elementType="H" x3="4.725304" y3="-2.898042" z3="-0.848527"></atom>
<atom id="a51" elementType="H" x3="4.334019" y3="-1.343928" z3="-0.107508"></atom>
<atom id="a52" elementType="H" x3="5.731478" y3="-1.491077" z3="-1.171804"></atom>
<atom id="a53" elementType="Cl" x3="-1.879421" y3="1.197017" z3="2.439743"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364466301e+03</scalar>
<scalar title="Time">13.1468</scalar>
<scalar title="Reaction Coordinate">44</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.981661" y3="-0.886832" z3="-1.500866"></atom>
<atom id="a1" elementType="C" x3="-2.122331" y3="-2.466735" z3="-0.091240"></atom>
<atom id="a2" elementType="C" x3="0.250896" y3="-2.609453" z3="-0.353394"></atom>
<atom id="a3" elementType="N" x3="-0.928215" y3="-3.054575" z3="0.110842"></atom>
<atom id="a4" elementType="C" x3="0.231241" y3="-1.524179" z3="-1.210723"></atom>
<atom id="a5" elementType="C" x3="-2.161042" y3="-1.339933" z3="-0.873368"></atom>
<atom id="a6" elementType="H" x3="-1.014619" y3="0.571700" z3="0.435680"></atom>
<atom id="a7" elementType="H" x3="-0.898261" y3="-3.828137" z3="0.748566"></atom>
<atom id="a8" elementType="C" x3="-1.044108" y3="0.245754" z3="-2.511942"></atom>
<atom id="a9" elementType="H" x3="-2.009980" y3="0.265598" z3="-2.984769"></atom>
<atom id="a10" elementType="H" x3="-0.272476" y3="0.131063" z3="-3.251709"></atom>
<atom id="a11" elementType="H" x3="-0.891466" y3="1.194385" z3="-2.019009"></atom>
<atom id="a12" elementType="C" x3="-3.301729" y3="-3.090244" z3="0.614130"></atom>
<atom id="a13" elementType="H" x3="-3.717047" y3="-2.385063" z3="1.322109"></atom>
<atom id="a14" elementType="H" x3="-2.993757" y3="-3.979899" z3="1.145333"></atom>
<atom id="a15" elementType="H" x3="-4.077749" y3="-3.332072" z3="-0.093057"></atom>
<atom id="a16" elementType="C" x3="1.479468" y3="-3.304380" z3="0.169223"></atom>
<atom id="a17" elementType="H" x3="1.198810" y3="-4.062527" z3="0.886909"></atom>
<atom id="a18" elementType="H" x3="2.100108" y3="-2.564762" z3="0.669398"></atom>
<atom id="a19" elementType="H" x3="2.036580" y3="-3.742230" z3="-0.640768"></atom>
<atom id="a20" elementType="C" x3="1.516324" y3="-0.942714" z3="-1.711983"></atom>
<atom id="a21" elementType="C" x3="-3.451076" y3="-0.584107" z3="-0.915272"></atom>
<atom id="a22" elementType="O" x3="-4.538982" y3="-1.091357" z3="-0.787985"></atom>
<atom id="a23" elementType="O" x3="1.664190" y3="0.235724" z3="-1.920481"></atom>
<atom id="a24" elementType="C" x3="1.895574" y3="0.235494" z3="1.377723"></atom>
<atom id="a25" elementType="C" x3="-0.501662" y3="1.005963" z3="1.280989"></atom>
<atom id="a26" elementType="C" x3="1.388070" y3="2.541198" z3="0.497923"></atom>
<atom id="a27" elementType="C" x3="-0.052192" y3="2.379594" z3="0.792021"></atom>
<atom id="a28" elementType="C" x3="2.256137" y3="1.564131" z3="0.741844"></atom>
<atom id="a29" elementType="C" x3="0.595904" y3="0.123306" z3="1.753942"></atom>
<atom id="a30" elementType="O" x3="2.820761" y3="-0.622899" z3="1.457581"></atom>
<atom id="a31" elementType="O" x3="-0.834623" y3="3.274887" z3="0.568887"></atom>
<atom id="a32" elementType="Cl" x3="0.140664" y3="-1.319156" z3="2.643521"></atom>
<atom id="a33" elementType="C" x3="1.757634" y3="3.781192" z3="-0.091916"></atom>
<atom id="a34" elementType="C" x3="3.633320" y3="1.699383" z3="0.406938"></atom>
<atom id="a35" elementType="N" x3="4.732409" y3="1.802612" z3="0.126798"></atom>
<atom id="a36" elementType="N" x3="2.040176" y3="4.774243" z3="-0.573679"></atom>
<atom id="a37" elementType="O" x3="2.455785" y3="-1.861901" z3="-1.911746"></atom>
<atom id="a38" elementType="O" x3="-3.259497" y3="0.730798" z3="-0.994737"></atom>
<atom id="a39" elementType="C" x3="-4.410041" y3="1.642483" z3="-0.786913"></atom>
<atom id="a40" elementType="H" x3="-5.179539" y3="1.378848" z3="-1.494639"></atom>
<atom id="a41" elementType="H" x3="-4.772386" y3="1.476384" z3="0.215162"></atom>
<atom id="a42" elementType="C" x3="-3.875304" y3="3.051353" z3="-0.980099"></atom>
<atom id="a43" elementType="H" x3="-3.559683" y3="3.197509" z3="-2.005256"></atom>
<atom id="a44" elementType="H" x3="-3.033396" y3="3.223218" z3="-0.325979"></atom>
<atom id="a45" elementType="H" x3="-4.656008" y3="3.767848" z3="-0.753141"></atom>
<atom id="a46" elementType="C" x3="3.855576" y3="-1.454737" z3="-2.199121"></atom>
<atom id="a47" elementType="H" x3="4.121382" y3="-1.997196" z3="-3.091115"></atom>
<atom id="a48" elementType="H" x3="3.858920" y3="-0.394533" z3="-2.385143"></atom>
<atom id="a49" elementType="C" x3="4.717491" y3="-1.823038" z3="-0.998065"></atom>
<atom id="a50" elementType="H" x3="4.728722" y3="-2.896212" z3="-0.852709"></atom>
<atom id="a51" elementType="H" x3="4.334859" y3="-1.344585" z3="-0.107604"></atom>
<atom id="a52" elementType="H" x3="5.732937" y3="-1.486805" z3="-1.171737"></atom>
<atom id="a53" elementType="Cl" x3="-1.874933" y3="1.208380" z3="2.454408"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364466639e+03</scalar>
<scalar title="Time">13.4449</scalar>
<scalar title="Reaction Coordinate">45</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.980863" y3="-0.890315" z3="-1.503415"></atom>
<atom id="a1" elementType="C" x3="-2.120204" y3="-2.469369" z3="-0.092010"></atom>
<atom id="a2" elementType="C" x3="0.252911" y3="-2.611633" z3="-0.355396"></atom>
<atom id="a3" elementType="N" x3="-0.925992" y3="-3.056983" z3="0.109517"></atom>
<atom id="a4" elementType="C" x3="0.232432" y3="-1.526886" z3="-1.213269"></atom>
<atom id="a5" elementType="C" x3="-2.159596" y3="-1.343060" z3="-0.874847"></atom>
<atom id="a6" elementType="H" x3="-1.026663" y3="0.577095" z3="0.444666"></atom>
<atom id="a7" elementType="H" x3="-0.895473" y3="-3.830163" z3="0.747661"></atom>
<atom id="a8" elementType="C" x3="-1.043185" y3="0.240910" z3="-2.515954"></atom>
<atom id="a9" elementType="H" x3="-2.012851" y3="0.269586" z3="-2.979458"></atom>
<atom id="a10" elementType="H" x3="-0.279778" y3="0.116496" z3="-3.263237"></atom>
<atom id="a11" elementType="H" x3="-0.874808" y3="1.188765" z3="-2.026776"></atom>
<atom id="a12" elementType="C" x3="-3.299249" y3="-3.091778" z3="0.614885"></atom>
<atom id="a13" elementType="H" x3="-3.711144" y3="-2.386941" z3="1.325203"></atom>
<atom id="a14" elementType="H" x3="-2.992033" y3="-3.983015" z3="1.143891"></atom>
<atom id="a15" elementType="H" x3="-4.077493" y3="-3.330635" z3="-0.090901"></atom>
<atom id="a16" elementType="C" x3="1.481804" y3="-3.305536" z3="0.167565"></atom>
<atom id="a17" elementType="H" x3="1.201563" y3="-4.065151" z3="0.883917"></atom>
<atom id="a18" elementType="H" x3="2.100447" y3="-2.565207" z3="0.669288"></atom>
<atom id="a19" elementType="H" x3="2.040788" y3="-3.741271" z3="-0.642249"></atom>
<atom id="a20" elementType="C" x3="1.516351" y3="-0.943891" z3="-1.715586"></atom>
<atom id="a21" elementType="C" x3="-3.449282" y3="-0.586809" z3="-0.916507"></atom>
<atom id="a22" elementType="O" x3="-4.537748" y3="-1.093163" z3="-0.790885"></atom>
<atom id="a23" elementType="O" x3="1.661209" y3="0.234372" z3="-1.927308"></atom>
<atom id="a24" elementType="C" x3="1.890546" y3="0.234346" z3="1.376177"></atom>
<atom id="a25" elementType="C" x3="-0.505795" y3="1.009925" z3="1.285985"></atom>
<atom id="a26" elementType="C" x3="1.386049" y3="2.541468" z3="0.498733"></atom>
<atom id="a27" elementType="C" x3="-0.054195" y3="2.381817" z3="0.793810"></atom>
<atom id="a28" elementType="C" x3="2.252779" y3="1.562905" z3="0.741267"></atom>
<atom id="a29" elementType="C" x3="0.591127" y3="0.123884" z3="1.753481"></atom>
<atom id="a30" elementType="O" x3="2.814570" y3="-0.625601" z3="1.454130"></atom>
<atom id="a31" elementType="O" x3="-0.835412" y3="3.278076" z3="0.570287"></atom>
<atom id="a32" elementType="Cl" x3="0.134415" y3="-1.318876" z3="2.641964"></atom>
<atom id="a33" elementType="C" x3="1.757108" y3="3.781483" z3="-0.090117"></atom>
<atom id="a34" elementType="C" x3="3.629966" y3="1.696347" z3="0.405660"></atom>
<atom id="a35" elementType="N" x3="4.729040" y3="1.798114" z3="0.124916"></atom>
<atom id="a36" elementType="N" x3="2.040926" y3="4.774673" z3="-0.570836"></atom>
<atom id="a37" elementType="O" x3="2.458333" y3="-1.860997" z3="-1.912583"></atom>
<atom id="a38" elementType="O" x3="-3.256025" y3="0.728099" z3="-0.993835"></atom>
<atom id="a39" elementType="C" x3="-4.405777" y3="1.641448" z3="-0.789231"></atom>
<atom id="a40" elementType="H" x3="-5.174339" y3="1.377849" z3="-1.498014"></atom>
<atom id="a41" elementType="H" x3="-4.770147" y3="1.477130" z3="0.212437"></atom>
<atom id="a42" elementType="C" x3="-3.868884" y3="3.049373" z3="-0.983416"></atom>
<atom id="a43" elementType="H" x3="-3.550465" y3="3.193373" z3="-2.008029"></atom>
<atom id="a44" elementType="H" x3="-3.028521" y3="3.221614" z3="-0.327469"></atom>
<atom id="a45" elementType="H" x3="-4.649384" y3="3.767138" z3="-0.759740"></atom>
<atom id="a46" elementType="C" x3="3.857315" y3="-1.450546" z3="-2.199258"></atom>
<atom id="a47" elementType="H" x3="4.124157" y3="-1.989916" z3="-3.092808"></atom>
<atom id="a48" elementType="H" x3="3.858764" y3="-0.389823" z3="-2.382246"></atom>
<atom id="a49" elementType="C" x3="4.719588" y3="-1.820774" z3="-0.999114"></atom>
<atom id="a50" elementType="H" x3="4.732426" y3="-2.894284" z3="-0.856617"></atom>
<atom id="a51" elementType="H" x3="4.335751" y3="-1.345186" z3="-0.107655"></atom>
<atom id="a52" elementType="H" x3="5.734546" y3="-1.482418" z3="-1.171529"></atom>
<atom id="a53" elementType="Cl" x3="-1.870241" y3="1.219880" z3="2.469220"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364466968e+03</scalar>
<scalar title="Time">13.7431</scalar>
<scalar title="Reaction Coordinate">46</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.979959" y3="-0.893720" z3="-1.505965"></atom>
<atom id="a1" elementType="C" x3="-2.118057" y3="-2.471984" z3="-0.092866"></atom>
<atom id="a2" elementType="C" x3="0.254939" y3="-2.613865" z3="-0.357474"></atom>
<atom id="a3" elementType="N" x3="-0.923737" y3="-3.059435" z3="0.108037"></atom>
<atom id="a4" elementType="C" x3="0.233716" y3="-1.529524" z3="-1.215842"></atom>
<atom id="a5" elementType="C" x3="-2.158088" y3="-1.346133" z3="-0.876298"></atom>
<atom id="a6" elementType="H" x3="-1.038570" y3="0.582489" z3="0.453724"></atom>
<atom id="a7" elementType="H" x3="-0.892697" y3="-3.832321" z3="0.746521"></atom>
<atom id="a8" elementType="C" x3="-1.042511" y3="0.236042" z3="-2.520028"></atom>
<atom id="a9" elementType="H" x3="-2.015559" y3="0.271573" z3="-2.975947"></atom>
<atom id="a10" elementType="H" x3="-0.286048" y3="0.104049" z3="-3.273024"></atom>
<atom id="a11" elementType="H" x3="-0.861849" y3="1.183337" z3="-2.034113"></atom>
<atom id="a12" elementType="C" x3="-3.296734" y3="-3.093387" z3="0.615485"></atom>
<atom id="a13" elementType="H" x3="-3.705212" y3="-2.388959" z3="1.328384"></atom>
<atom id="a14" elementType="H" x3="-2.990227" y3="-3.986292" z3="1.142058"></atom>
<atom id="a15" elementType="H" x3="-4.077144" y3="-3.329064" z3="-0.088842"></atom>
<atom id="a16" elementType="C" x3="1.484151" y3="-3.306794" z3="0.165828"></atom>
<atom id="a17" elementType="H" x3="1.204249" y3="-4.067870" z3="0.880755"></atom>
<atom id="a18" elementType="H" x3="2.100644" y3="-2.565663" z3="0.669215"></atom>
<atom id="a19" elementType="H" x3="2.044940" y3="-3.740364" z3="-0.643848"></atom>
<atom id="a20" elementType="C" x3="1.516593" y3="-0.945094" z3="-1.719056"></atom>
<atom id="a21" elementType="C" x3="-3.447449" y3="-0.589459" z3="-0.917667"></atom>
<atom id="a22" elementType="O" x3="-4.536453" y3="-1.094964" z3="-0.793763"></atom>
<atom id="a23" elementType="O" x3="1.658627" y3="0.232990" z3="-1.933779"></atom>
<atom id="a24" elementType="C" x3="1.885428" y3="0.233196" z3="1.374553"></atom>
<atom id="a25" elementType="C" x3="-0.509967" y3="1.013982" z3="1.291050"></atom>
<atom id="a26" elementType="C" x3="1.383988" y3="2.541777" z3="0.499546"></atom>
<atom id="a27" elementType="C" x3="-0.056230" y3="2.384112" z3="0.795614"></atom>
<atom id="a28" elementType="C" x3="2.249352" y3="1.561683" z3="0.740656"></atom>
<atom id="a29" elementType="C" x3="0.586298" y3="0.124517" z3="1.753038"></atom>
<atom id="a30" elementType="O" x3="2.808251" y3="-0.628360" z3="1.450498"></atom>
<atom id="a31" elementType="O" x3="-0.836249" y3="3.281313" z3="0.571659"></atom>
<atom id="a32" elementType="Cl" x3="0.128019" y3="-1.318588" z3="2.640295"></atom>
<atom id="a33" elementType="C" x3="1.756574" y3="3.781790" z3="-0.088340"></atom>
<atom id="a34" elementType="C" x3="3.626539" y3="1.693268" z3="0.404306"></atom>
<atom id="a35" elementType="N" x3="4.725595" y3="1.793518" z3="0.122936"></atom>
<atom id="a36" elementType="N" x3="2.041695" y3="4.775091" z3="-0.568047"></atom>
<atom id="a37" elementType="O" x3="2.460979" y3="-1.860205" z3="-1.913394"></atom>
<atom id="a38" elementType="O" x3="-3.252617" y3="0.725476" z3="-0.992747"></atom>
<atom id="a39" elementType="C" x3="-4.401668" y3="1.640375" z3="-0.791352"></atom>
<atom id="a40" elementType="H" x3="-5.169321" y3="1.376568" z3="-1.501045"></atom>
<atom id="a41" elementType="H" x3="-4.767916" y3="1.477986" z3="0.209934"></atom>
<atom id="a42" elementType="C" x3="-3.862829" y3="3.047391" z3="-0.986838"></atom>
<atom id="a43" elementType="H" x3="-3.541744" y3="3.189083" z3="-2.010929"></atom>
<atom id="a44" elementType="H" x3="-3.023979" y3="3.220248" z3="-0.329182"></atom>
<atom id="a45" elementType="H" x3="-4.643182" y3="3.766337" z3="-0.766505"></atom>
<atom id="a46" elementType="C" x3="3.859195" y3="-1.446577" z3="-2.199359"></atom>
<atom id="a47" elementType="H" x3="4.127090" y3="-1.983046" z3="-3.094367"></atom>
<atom id="a48" elementType="H" x3="3.858801" y3="-0.385384" z3="-2.379518"></atom>
<atom id="a49" elementType="C" x3="4.721800" y3="-1.818507" z3="-1.000041"></atom>
<atom id="a50" elementType="H" x3="4.736300" y3="-2.892370" z3="-0.860271"></atom>
<atom id="a51" elementType="H" x3="4.336723" y3="-1.345684" z3="-0.107675"></atom>
<atom id="a52" elementType="H" x3="5.736231" y3="-1.478004" z3="-1.171220"></atom>
<atom id="a53" elementType="Cl" x3="-1.865333" y3="1.231502" z3="2.484128"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364467291e+03</scalar>
<scalar title="Time">14.0414</scalar>
<scalar title="Reaction Coordinate">47</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.978998" y3="-0.897093" z3="-1.508514"></atom>
<atom id="a1" elementType="C" x3="-2.115873" y3="-2.474595" z3="-0.093793"></atom>
<atom id="a2" elementType="C" x3="0.257000" y3="-2.616113" z3="-0.359650"></atom>
<atom id="a3" elementType="N" x3="-0.921475" y3="-3.061922" z3="0.106433"></atom>
<atom id="a4" elementType="C" x3="0.235074" y3="-1.532182" z3="-1.218463"></atom>
<atom id="a5" elementType="C" x3="-2.156511" y3="-1.349129" z3="-0.877739"></atom>
<atom id="a6" elementType="H" x3="-1.050721" y3="0.588160" z3="0.463105"></atom>
<atom id="a7" elementType="H" x3="-0.889909" y3="-3.834527" z3="0.745222"></atom>
<atom id="a8" elementType="C" x3="-1.042054" y3="0.231326" z3="-2.523976"></atom>
<atom id="a9" elementType="H" x3="-2.017402" y3="0.271936" z3="-2.973762"></atom>
<atom id="a10" elementType="H" x3="-0.291136" y3="0.093042" z3="-3.281828"></atom>
<atom id="a11" elementType="H" x3="-0.851588" y3="1.178184" z3="-2.041092"></atom>
<atom id="a12" elementType="C" x3="-3.294187" y3="-3.095047" z3="0.615965"></atom>
<atom id="a13" elementType="H" x3="-3.699199" y3="-2.391166" z3="1.331427"></atom>
<atom id="a14" elementType="H" x3="-2.988428" y3="-3.989680" z3="1.140056"></atom>
<atom id="a15" elementType="H" x3="-4.076849" y3="-3.327531" z3="-0.086950"></atom>
<atom id="a16" elementType="C" x3="1.486468" y3="-3.308125" z3="0.164006"></atom>
<atom id="a17" elementType="H" x3="1.206897" y3="-4.070613" z3="0.877598"></atom>
<atom id="a18" elementType="H" x3="2.100976" y3="-2.566303" z3="0.668927"></atom>
<atom id="a19" elementType="H" x3="2.049032" y3="-3.739648" z3="-0.645493"></atom>
<atom id="a20" elementType="C" x3="1.517003" y3="-0.946343" z3="-1.722412"></atom>
<atom id="a21" elementType="C" x3="-3.445572" y3="-0.592043" z3="-0.918771"></atom>
<atom id="a22" elementType="O" x3="-4.535088" y3="-1.096764" z3="-0.796614"></atom>
<atom id="a23" elementType="O" x3="1.656396" y3="0.231583" z3="-1.939874"></atom>
<atom id="a24" elementType="C" x3="1.880239" y3="0.232055" z3="1.372856"></atom>
<atom id="a25" elementType="C" x3="-0.514088" y3="1.018123" z3="1.296184"></atom>
<atom id="a26" elementType="C" x3="1.381907" y3="2.542129" z3="0.500367"></atom>
<atom id="a27" elementType="C" x3="-0.058285" y3="2.386447" z3="0.797406"></atom>
<atom id="a28" elementType="C" x3="2.245881" y3="1.560485" z3="0.740018"></atom>
<atom id="a29" elementType="C" x3="0.581390" y3="0.125175" z3="1.752515"></atom>
<atom id="a30" elementType="O" x3="2.801824" y3="-0.631124" z3="1.446722"></atom>
<atom id="a31" elementType="O" x3="-0.837133" y3="3.284556" z3="0.572965"></atom>
<atom id="a32" elementType="Cl" x3="0.121510" y3="-1.318292" z3="2.638518"></atom>
<atom id="a33" elementType="C" x3="1.756036" y3="3.782115" z3="-0.086590"></atom>
<atom id="a34" elementType="C" x3="3.623054" y3="1.690170" z3="0.402888"></atom>
<atom id="a35" elementType="N" x3="4.722086" y3="1.788857" z3="0.120869"></atom>
<atom id="a36" elementType="N" x3="2.042475" y3="4.775503" z3="-0.565320"></atom>
<atom id="a37" elementType="O" x3="2.463696" y3="-1.859518" z3="-1.914198"></atom>
<atom id="a38" elementType="O" x3="-3.249274" y3="0.722923" z3="-0.991540"></atom>
<atom id="a39" elementType="C" x3="-4.397707" y3="1.639247" z3="-0.793305"></atom>
<atom id="a40" elementType="H" x3="-5.164552" y3="1.375063" z3="-1.503750"></atom>
<atom id="a41" elementType="H" x3="-4.765635" y3="1.478833" z3="0.207708"></atom>
<atom id="a42" elementType="C" x3="-3.857150" y3="3.045407" z3="-0.990330"></atom>
<atom id="a43" elementType="H" x3="-3.533514" y3="3.184697" z3="-2.013958"></atom>
<atom id="a44" elementType="H" x3="-3.019782" y3="3.219090" z3="-0.331058"></atom>
<atom id="a45" elementType="H" x3="-4.637439" y3="3.765457" z3="-0.773372"></atom>
<atom id="a46" elementType="C" x3="3.861177" y3="-1.442832" z3="-2.199414"></atom>
<atom id="a47" elementType="H" x3="4.130114" y3="-1.976565" z3="-3.095733"></atom>
<atom id="a48" elementType="H" x3="3.858995" y3="-0.381208" z3="-2.376935"></atom>
<atom id="a49" elementType="C" x3="4.724083" y3="-1.816276" z3="-1.000843"></atom>
<atom id="a50" elementType="H" x3="4.740270" y3="-2.890427" z3="-0.863622"></atom>
<atom id="a51" elementType="H" x3="4.337755" y3="-1.346094" z3="-0.107634"></atom>
<atom id="a52" elementType="H" x3="5.737995" y3="-1.473621" z3="-1.170821"></atom>
<atom id="a53" elementType="Cl" x3="-1.860253" y3="1.243209" z3="2.499123"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364467608e+03</scalar>
<scalar title="Time">14.3399</scalar>
<scalar title="Reaction Coordinate">48</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.977966" y3="-0.900356" z3="-1.510998"></atom>
<atom id="a1" elementType="C" x3="-2.113683" y3="-2.477220" z3="-0.094797"></atom>
<atom id="a2" elementType="C" x3="0.259061" y3="-2.618399" z3="-0.361892"></atom>
<atom id="a3" elementType="N" x3="-0.919198" y3="-3.064456" z3="0.104718"></atom>
<atom id="a4" elementType="C" x3="0.236484" y3="-1.534771" z3="-1.221081"></atom>
<atom id="a5" elementType="C" x3="-2.154896" y3="-1.352088" z3="-0.879159"></atom>
<atom id="a6" elementType="H" x3="-1.062610" y3="0.593822" z3="0.472452"></atom>
<atom id="a7" elementType="H" x3="-0.887152" y3="-3.836878" z3="0.743713"></atom>
<atom id="a8" elementType="C" x3="-1.041658" y3="0.226721" z3="-2.527824"></atom>
<atom id="a9" elementType="H" x3="-2.019187" y3="0.271249" z3="-2.972649"></atom>
<atom id="a10" elementType="H" x3="-0.295406" y3="0.083565" z3="-3.289256"></atom>
<atom id="a11" elementType="H" x3="-0.843601" y3="1.173337" z3="-2.047490"></atom>
<atom id="a12" elementType="C" x3="-3.291612" y3="-3.096771" z3="0.616323"></atom>
<atom id="a13" elementType="H" x3="-3.692867" y3="-2.393563" z3="1.334732"></atom>
<atom id="a14" elementType="H" x3="-2.986681" y3="-3.993350" z3="1.137540"></atom>
<atom id="a15" elementType="H" x3="-4.076591" y3="-3.325590" z3="-0.085057"></atom>
<atom id="a16" elementType="C" x3="1.488784" y3="-3.309570" z3="0.162090"></atom>
<atom id="a17" elementType="H" x3="1.209468" y3="-4.073449" z3="0.874311"></atom>
<atom id="a18" elementType="H" x3="2.101247" y3="-2.566996" z3="0.668614"></atom>
<atom id="a19" elementType="H" x3="2.053099" y3="-3.739062" z3="-0.647244"></atom>
<atom id="a20" elementType="C" x3="1.517560" y3="-0.947605" z3="-1.725633"></atom>
<atom id="a21" elementType="C" x3="-3.443664" y3="-0.594588" z3="-0.919843"></atom>
<atom id="a22" elementType="O" x3="-4.533676" y3="-1.098560" z3="-0.799453"></atom>
<atom id="a23" elementType="O" x3="1.654479" y3="0.230165" z3="-1.945614"></atom>
<atom id="a24" elementType="C" x3="1.874994" y3="0.230926" z3="1.371100"></atom>
<atom id="a25" elementType="C" x3="-0.518235" y3="1.022350" z3="1.301364"></atom>
<atom id="a26" elementType="C" x3="1.379798" y3="2.542528" z3="0.501196"></atom>
<atom id="a27" elementType="C" x3="-0.060360" y3="2.388839" z3="0.799195"></atom>
<atom id="a28" elementType="C" x3="2.242360" y3="1.559313" z3="0.739365"></atom>
<atom id="a29" elementType="C" x3="0.576465" y3="0.125881" z3="1.752032"></atom>
<atom id="a30" elementType="O" x3="2.795320" y3="-0.633925" z3="1.442786"></atom>
<atom id="a31" elementType="O" x3="-0.838070" y3="3.287802" z3="0.574175"></atom>
<atom id="a32" elementType="Cl" x3="0.114897" y3="-1.317987" z3="2.636638"></atom>
<atom id="a33" elementType="C" x3="1.755488" y3="3.782462" z3="-0.084866"></atom>
<atom id="a34" elementType="C" x3="3.619512" y3="1.687063" z3="0.401409"></atom>
<atom id="a35" elementType="N" x3="4.718515" y3="1.784146" z3="0.118708"></atom>
<atom id="a36" elementType="N" x3="2.043259" y3="4.775912" z3="-0.562660"></atom>
<atom id="a37" elementType="O" x3="2.466446" y3="-1.858932" z3="-1.915001"></atom>
<atom id="a38" elementType="O" x3="-3.245985" y3="0.720417" z3="-0.990269"></atom>
<atom id="a39" elementType="C" x3="-4.393880" y3="1.638051" z3="-0.795104"></atom>
<atom id="a40" elementType="H" x3="-5.159964" y3="1.373310" z3="-1.506161"></atom>
<atom id="a41" elementType="H" x3="-4.763330" y3="1.479682" z3="0.205666"></atom>
<atom id="a42" elementType="C" x3="-3.851823" y3="3.043402" z3="-0.993878"></atom>
<atom id="a43" elementType="H" x3="-3.525817" y3="3.180231" z3="-2.017076"></atom>
<atom id="a44" elementType="H" x3="-3.015866" y3="3.218103" z3="-0.333133"></atom>
<atom id="a45" elementType="H" x3="-4.632102" y3="3.764446" z3="-0.780251"></atom>
<atom id="a46" elementType="C" x3="3.863242" y3="-1.439303" z3="-2.199433"></atom>
<atom id="a47" elementType="H" x3="4.133250" y3="-1.970466" z3="-3.096986"></atom>
<atom id="a48" elementType="H" x3="3.859329" y3="-0.377291" z3="-2.374484"></atom>
<atom id="a49" elementType="C" x3="4.726410" y3="-1.814084" z3="-1.001518"></atom>
<atom id="a50" elementType="H" x3="4.744310" y3="-2.888530" z3="-0.866724"></atom>
<atom id="a51" elementType="H" x3="4.338789" y3="-1.346451" z3="-0.107554"></atom>
<atom id="a52" elementType="H" x3="5.739786" y3="-1.469288" z3="-1.170294"></atom>
<atom id="a53" elementType="Cl" x3="-1.854980" y3="1.254986" z3="2.514163"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364467920e+03</scalar>
<scalar title="Time">14.6383</scalar>
<scalar title="Reaction Coordinate">49</scalar>
</list>
</molecule>
<molecule>
<atomArray>
<atom id="a0" elementType="C" x3="-0.976855" y3="-0.903565" z3="-1.513452"></atom>
<atom id="a1" elementType="C" x3="-2.111471" y3="-2.479829" z3="-0.095874"></atom>
<atom id="a2" elementType="C" x3="0.261138" y3="-2.620731" z3="-0.364206"></atom>
<atom id="a3" elementType="N" x3="-0.916924" y3="-3.067034" z3="0.102879"></atom>
<atom id="a4" elementType="C" x3="0.237961" y3="-1.537357" z3="-1.223691"></atom>
<atom id="a5" elementType="C" x3="-2.153228" y3="-1.354992" z3="-0.880568"></atom>
<atom id="a6" elementType="H" x3="-1.074653" y3="0.599638" z3="0.482091"></atom>
<atom id="a7" elementType="H" x3="-0.884401" y3="-3.839276" z3="0.742060"></atom>
<atom id="a8" elementType="C" x3="-1.041383" y3="0.222318" z3="-2.531486"></atom>
<atom id="a9" elementType="H" x3="-2.020361" y3="0.269573" z3="-2.972276"></atom>
<atom id="a10" elementType="H" x3="-0.298776" y3="0.075184" z3="-3.296096"></atom>
<atom id="a11" elementType="H" x3="-0.837333" y3="1.168749" z3="-2.053421"></atom>
<atom id="a12" elementType="C" x3="-3.289030" y3="-3.098542" z3="0.616579"></atom>
<atom id="a13" elementType="H" x3="-3.686662" y3="-2.396103" z3="1.337805"></atom>
<atom id="a14" elementType="H" x3="-2.984892" y3="-3.997041" z3="1.134967"></atom>
<atom id="a15" elementType="H" x3="-4.076307" y3="-3.323858" z3="-0.083383"></atom>
<atom id="a16" elementType="C" x3="1.491065" y3="-3.311101" z3="0.160092"></atom>
<atom id="a17" elementType="H" x3="1.212047" y3="-4.076445" z3="0.870878"></atom>
<atom id="a18" elementType="H" x3="2.101492" y3="-2.567894" z3="0.668252"></atom>
<atom id="a19" elementType="H" x3="2.057186" y3="-3.738437" z3="-0.649065"></atom>
<atom id="a20" elementType="C" x3="1.518256" y3="-0.948889" z3="-1.728716"></atom>
<atom id="a21" elementType="C" x3="-3.441722" y3="-0.597090" z3="-0.920885"></atom>
<atom id="a22" elementType="O" x3="-4.532207" y3="-1.100367" z3="-0.802266"></atom>
<atom id="a23" elementType="O" x3="1.652842" y3="0.228752" z3="-1.950990"></atom>
<atom id="a24" elementType="C" x3="1.869704" y3="0.229820" z3="1.369299"></atom>
<atom id="a25" elementType="C" x3="-0.522336" y3="1.026631" z3="1.306605"></atom>
<atom id="a26" elementType="C" x3="1.377673" y3="2.542969" z3="0.502036"></atom>
<atom id="a27" elementType="C" x3="-0.062462" y3="2.391260" z3="0.800960"></atom>
<atom id="a28" elementType="C" x3="2.238812" y3="1.558174" z3="0.738700"></atom>
<atom id="a29" elementType="C" x3="0.571510" y3="0.126628" z3="1.751540"></atom>
<atom id="a30" elementType="O" x3="2.788720" y3="-0.636723" z3="1.438710"></atom>
<atom id="a31" elementType="O" x3="-0.839060" y3="3.291034" z3="0.575278"></atom>
<atom id="a32" elementType="Cl" x3="0.108200" y3="-1.317675" z3="2.634669"></atom>
<atom id="a33" elementType="C" x3="1.754932" y3="3.782829" z3="-0.083170"></atom>
<atom id="a34" elementType="C" x3="3.615929" y3="1.683953" z3="0.399874"></atom>
<atom id="a35" elementType="N" x3="4.714892" y3="1.779399" z3="0.116457"></atom>
<atom id="a36" elementType="N" x3="2.044046" y3="4.776318" z3="-0.560065"></atom>
<atom id="a37" elementType="O" x3="2.469236" y3="-1.858433" z3="-1.915816"></atom>
<atom id="a38" elementType="O" x3="-3.242760" y3="0.717967" z3="-0.988945"></atom>
<atom id="a39" elementType="C" x3="-4.390192" y3="1.636788" z3="-0.796774"></atom>
<atom id="a40" elementType="H" x3="-5.155601" y3="1.371355" z3="-1.508312"></atom>
<atom id="a41" elementType="H" x3="-4.761002" y3="1.480477" z3="0.203841"></atom>
<atom id="a42" elementType="C" x3="-3.846839" y3="3.041383" z3="-0.997464"></atom>
<atom id="a43" elementType="H" x3="-3.518618" y3="3.175722" z3="-2.020297"></atom>
<atom id="a44" elementType="H" x3="-3.012228" y3="3.217253" z3="-0.335368"></atom>
<atom id="a45" elementType="H" x3="-4.627178" y3="3.763341" z3="-0.787118"></atom>
<atom id="a46" elementType="C" x3="3.865375" y3="-1.435977" z3="-2.199420"></atom>
<atom id="a47" elementType="H" x3="4.136433" y3="-1.964697" z3="-3.098078"></atom>
<atom id="a48" elementType="H" x3="3.859780" y3="-0.373606" z3="-2.372144"></atom>
<atom id="a49" elementType="C" x3="4.728745" y3="-1.811963" z3="-1.002078"></atom>
<atom id="a50" elementType="H" x3="4.748488" y3="-2.886654" z3="-0.869670"></atom>
<atom id="a51" elementType="H" x3="4.339676" y3="-1.346922" z3="-0.107423"></atom>
<atom id="a52" elementType="H" x3="5.741550" y3="-1.464892" z3="-1.169544"></atom>
<atom id="a53" elementType="Cl" x3="-1.849528" y3="1.266823" z3="2.529238"></atom>
</atomArray>
<bondArray>
<bond id="b0" atomRefs2="a4 a0" order="S"></bond>
<bond id="b1" atomRefs2="a5 a0" order="S"></bond>
<bond id="b2" atomRefs2="a8 a0" order="S"></bond>
<bond id="b3" atomRefs2="a3 a1" order="S"></bond>
<bond id="b4" atomRefs2="a5 a1" order="S"></bond>
<bond id="b5" atomRefs2="a12 a1" order="S"></bond>
<bond id="b6" atomRefs2="a3 a2" order="S"></bond>
<bond id="b7" atomRefs2="a4 a2" order="S"></bond>
<bond id="b8" atomRefs2="a16 a2" order="S"></bond>
<bond id="b9" atomRefs2="a7 a3" order="S"></bond>
<bond id="b10" atomRefs2="a20 a4" order="S"></bond>
<bond id="b11" atomRefs2="a21 a5" order="S"></bond>
<bond id="b12" atomRefs2="a25 a6" order="S"></bond>
<bond id="b13" atomRefs2="a9 a8" order="S"></bond>
<bond id="b14" atomRefs2="a10 a8" order="S"></bond>
<bond id="b15" atomRefs2="a11 a8" order="S"></bond>
<bond id="b16" atomRefs2="a13 a12" order="S"></bond>
<bond id="b17" atomRefs2="a14 a12" order="S"></bond>
<bond id="b18" atomRefs2="a15 a12" order="S"></bond>
<bond id="b19" atomRefs2="a17 a16" order="S"></bond>
<bond id="b20" atomRefs2="a18 a16" order="S"></bond>
<bond id="b21" atomRefs2="a19 a16" order="S"></bond>
<bond id="b22" atomRefs2="a23 a20" order="D"></bond>
<bond id="b23" atomRefs2="a37 a20" order="S"></bond>
<bond id="b24" atomRefs2="a22 a21" order="D"></bond>
<bond id="b25" atomRefs2="a38 a21" order="S"></bond>
<bond id="b26" atomRefs2="a28 a24" order="S"></bond>
<bond id="b27" atomRefs2="a29 a24" order="S"></bond>
<bond id="b28" atomRefs2="a30 a24" order="D"></bond>
<bond id="b29" atomRefs2="a27 a25" order="S"></bond>
<bond id="b30" atomRefs2="a29 a25" order="S"></bond>
<bond id="b31" atomRefs2="a53 a25" order="S"></bond>
<bond id="b32" atomRefs2="a27 a26" order="S"></bond>
<bond id="b33" atomRefs2="a28 a26" order="D"></bond>
<bond id="b34" atomRefs2="a33 a26" order="S"></bond>
<bond id="b35" atomRefs2="a31 a27" order="D"></bond>
<bond id="b36" atomRefs2="a34 a28" order="S"></bond>
<bond id="b37" atomRefs2="a32 a29" order="S"></bond>
<bond id="b38" atomRefs2="a36 a33" order="T"></bond>
<bond id="b39" atomRefs2="a35 a34" order="T"></bond>
<bond id="b40" atomRefs2="a46 a37" order="S"></bond>
<bond id="b41" atomRefs2="a39 a38" order="S"></bond>
<bond id="b42" atomRefs2="a40 a39" order="S"></bond>
<bond id="b43" atomRefs2="a41 a39" order="S"></bond>
<bond id="b44" atomRefs2="a42 a39" order="S"></bond>
<bond id="b45" atomRefs2="a43 a42" order="S"></bond>
<bond id="b46" atomRefs2="a44 a42" order="S"></bond>
<bond id="b47" atomRefs2="a45 a42" order="S"></bond>
<bond id="b48" atomRefs2="a47 a46" order="S"></bond>
<bond id="b49" atomRefs2="a48 a46" order="S"></bond>
<bond id="b50" atomRefs2="a49 a46" order="S"></bond>
<bond id="b51" atomRefs2="a50 a49" order="S"></bond>
<bond id="b52" atomRefs2="a51 a49" order="S"></bond>
<bond id="b53" atomRefs2="a52 a49" order="S"></bond>
</bondArray>
<list>
<atomArray>
<atom id="a0" coordinationNumber="4"></atom>
<atom id="a1" coordinationNumber="4"></atom>
<atom id="a2" coordinationNumber="4"></atom>
<atom id="a3" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a4" coordinationNumber="4"></atom>
<atom id="a5" coordinationNumber="4"></atom>
<atom id="a6" coordinationNumber="1"></atom>
<atom id="a7" coordinationNumber="1"></atom>
<atom id="a8" coordinationNumber="4"></atom>
<atom id="a9" coordinationNumber="1"></atom>
<atom id="a10" coordinationNumber="1"></atom>
<atom id="a11" coordinationNumber="1"></atom>
<atom id="a12" coordinationNumber="4"></atom>
<atom id="a13" coordinationNumber="1"></atom>
<atom id="a14" coordinationNumber="1"></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>
<atom id="a20" coordinationNumber="4"></atom>
<atom id="a21" coordinationNumber="4"></atom>
<atom id="a22" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a23" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a24" coordinationNumber="4"></atom>
<atom id="a25" coordinationNumber="4"></atom>
<atom id="a26" coordinationNumber="4"></atom>
<atom id="a27" coordinationNumber="4"></atom>
<atom id="a28" coordinationNumber="4"></atom>
<atom id="a29" coordinationNumber="4"></atom>
<atom id="a30" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a31" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a32" coordinationNumber="1" lonePairCount="3"></atom>
<atom id="a33" coordinationNumber="4"></atom>
<atom id="a34" coordinationNumber="4"></atom>
<atom id="a35" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a36" coordinationNumber="3" lonePairCount="1"></atom>
<atom id="a37" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a38" coordinationNumber="2" lonePairCount="2"></atom>
<atom id="a39" coordinationNumber="4"></atom>
<atom id="a40" coordinationNumber="1"></atom>
<atom id="a41" coordinationNumber="1"></atom>
<atom id="a42" coordinationNumber="4"></atom>
<atom id="a43" coordinationNumber="1"></atom>
<atom id="a44" coordinationNumber="1"></atom>
<atom id="a45" coordinationNumber="1"></atom>
<atom id="a46" coordinationNumber="4"></atom>
<atom id="a47" coordinationNumber="1"></atom>
<atom id="a48" coordinationNumber="1"></atom>
<atom id="a49" coordinationNumber="4"></atom>
<atom id="a50" coordinationNumber="1"></atom>
<atom id="a51" coordinationNumber="1"></atom>
<atom id="a52" coordinationNumber="1"></atom>
<atom id="a53" coordinationNumber="1" lonePairCount="3"></atom>
</atomArray>
<bondArray>
<bond id="b54" atomRefs2="a53 a6" order="H"></bond>
</bondArray>
<scalar title="Energy">-2.364468227e+03</scalar>
<scalar title="Time">14.9369</scalar>
<scalar title="Reaction Coordinate">50</scalar>
</list>
</molecule>
</cml>
