<?xml version="1.0" encoding="UTF-8"?>
<!--

       Copyright 2011 Peter Murray-Rust et. al.

       Licensed under the Apache License, Version 2.0 (the "License");
       you may not use this file except in compliance with the License.
       You may obtain a copy of the License at

           http://www.apache.org/licenses/LICENSE-2.0

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       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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<molecule id="dn6300" xmlns="http://www.xml-cml.org/schema"><atomArray><atom id="a1" z3="3.702934074800963" y3="2.985903744" x3="2.0703079453480475" zFract="0.41034" yFract="0.25664" xFract="0.19148" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0213</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N1</scalar></atom><atom id="a2" z3="3.1799121319175625" y3="2.398821828" x3="0.7944758085657746" zFract="0.30986" yFract="0.20618" xFract="0.07348" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0228</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C2</scalar></atom><atom id="a3" z3="1.9408262053995862" y3="1.549845066" x3="1.0857547726752188" zFract="0.2151" yFract="0.13321" xFract="0.10042" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0227</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C3</scalar></atom><atom id="a4" z3="1.1743255507471848" y3="2.15472792" x3="1.2455581538755747" zFract="0.1556" yFract="0.1852" xFract="0.1152" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.025</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H3A</scalar></atom><atom id="a5" z3="1.7375895555505803" y3="1.01337366" x3="0.2811155555621957" zFract="0.1627" yFract="0.0871" xFract="0.026" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.025</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H3B</scalar></atom><atom id="a6" z3="2.08021391012179" y3="0.6402520380000003" x3="2.2940110547550407" zFract="0.27942" yFract="0.05503" xFract="0.21217" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0214</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C4</scalar></atom><atom id="a7" z3="2.796230622611203" y3="-0.02559611999999979" x3="2.1678334188546247" zFract="0.336" yFract="-0.0022" xFract="0.2005" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.013</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H4A</scalar></atom><atom id="a8" z3="2.3742995556812296" y3="1.4867855340000005" x3="3.5232428821345034" zFract="0.35805" yFract="0.12779" xFract="0.32586" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0234</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C5</scalar></atom><atom id="a9" z3="2.467681237957927" y3="0.8947007400000004" x3="4.308636495828269" zFract="0.4001" yFract="0.0769" xFract="0.3985" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.021</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H5A</scalar></atom><atom id="a10" z3="1.616835746516227" y3="2.1000453000000006" x3="3.6707204274371326" zFract="0.2988" yFract="0.1805" xFract="0.3395" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.025</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H5B</scalar></atom><atom id="a11" z3="3.656669180093462" y3="2.3201719320000005" x3="3.4116616308498164" zFract="0.46433" yFract="0.19942" xFract="0.31554" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0237</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C6</scalar></atom><atom id="a12" formalCharge="-1" z3="4.58691636624792" y3="3.9130650180000006" x3="1.9283445897891387" zFract="0.48079" yFract="0.33633" xFract="0.17835" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0307</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O7</scalar></atom><atom id="a13" z3="4.2973937828522475" y3="1.57357965" x3="0.13861159316566726" zFract="0.37832" yFract="0.13525" xFract="0.01282" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0321</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C8</scalar></atom><atom id="a14" z3="4.570353040672125" y3="0.7574124600000002" x3="0.6573779145454423" zFract="0.4244" yFract="0.0651" xFract="0.0608" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.031</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H8A</scalar></atom><atom id="a15" z3="4.030263670183705" y3="1.27166178" x3="-0.7211695213845558" zFract="0.318" yFract="0.1093" xFract="-0.0667" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.042</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H8B</scalar></atom><atom id="a16" z3="5.1310941492304245" y3="2.12447796" x3="0.019461846154305854" zFract="0.4454" yFract="0.1826" xFract="0.0018" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.036</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H8C</scalar></atom><atom id="a17" z3="2.799519066899405" y3="3.5650741320000003" x3="-0.11125688718211516" zFract="0.23774" yFract="0.30642" xFract="-0.01029" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0328</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C9</scalar></atom><atom id="a18" z3="2.3460094783925074" y3="3.19137078" x3="-0.928762547030485" zFract="0.1631" yFract="0.2743" xFract="-0.0859" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.041</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H9A</scalar></atom><atom id="a19" z3="2.1663544612759082" y3="4.157042580000001" x3="0.3470695897517877" zFract="0.2027" yFract="0.3573" xFract="0.0321" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.033</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H9B</scalar></atom><atom id="a20" z3="3.574771896245095" y3="4.097706120000001" x3="-0.3265265299222427" zFract="0.2956" yFract="0.3522" xFract="-0.0302" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.036</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H9C</scalar></atom><atom id="a21" formalCharge="0" z3="0.8463825458367018" y3="-0.12565367999999977" x3="2.465599665015504" zFract="0.17994" yFract="-0.0108" xFract="0.22804" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0259</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N10</scalar></atom><atom id="a22" z3="0.1228086330357594" y3="0.26177850000000025" x3="2.32569061543955" zFract="0.1112" yFract="0.0225" xFract="0.2151" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.036</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H10</scalar></atom><atom id="a23" z3="0.82552789290336" y3="-1.338909768" x3="3.0455626804138185" zFract="0.20321" yFract="-0.11508" xFract="0.28168" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0195</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C11</scalar></atom><atom id="a24" formalCharge="0" z3="1.8613647754269445" y3="-1.9013263319999998" x3="3.4032281641829503" zFract="0.30842" yFract="-0.16342" xFract="0.31476" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.028</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O12</scalar></atom><atom id="a25" z3="-0.5208682418516515" y3="-2.0045252339999995" x3="3.207960974434749" zFract="0.09358" yFract="-0.17229" xFract="0.2967" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0204</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C13</scalar></atom><atom id="a26" z3="-1.695778045413991" y3="-1.3024934699999997" x3="3.1083811949452174" zFract="-0.01252" yFract="-0.11195" xFract="0.28749" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0283</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C14</scalar></atom><atom id="a27" z3="-2.5090384111683304" y3="-1.7370457799999997" x3="3.2328288889652503" zFract="-0.0776" yFract="-0.1493" xFract="0.299" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.042</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H14A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a28" z3="-1.6797332320174432" y3="-0.39208601999999976" x3="2.9171144957953996" zFract="-0.0194" yFract="-0.0337" xFract="0.2698" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.042</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H14B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a29" z3="-0.4817059636004999" y3="-3.4282512359999995" x3="3.505078492390485" zFract="0.10982" yFract="-0.29466" xFract="0.32418" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0321</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C15</scalar></atom><atom id="a30" z3="-1.3772827737380597" y3="-3.77077386" x3="3.55070570948558" zFract="0.0342" yFract="-0.3241" xFract="0.3284" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.048</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H15A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a31" z3="0.0017979720869576443" y3="-3.8859564" x3="2.813317982972435" zFract="0.1218" yFract="-0.334" xFract="0.2602" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.048</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H15B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a32" z3="-0.04250766358122293" y3="-3.5671683599999997" x3="4.347560188136881" zFract="0.1843" yFract="-0.3066" xFract="0.4021" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.048</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H15C</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a33" z3="4.90329902917591" y3="1.4442028980000006" x3="3.5823852701700885" zFract="0.57972" yFract="0.12413" xFract="0.33133" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0339</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C16</scalar></atom><atom id="a34" z3="4.8935568498622475" y3="0.6538645200000004" x3="2.953875760753533" zFract="0.5517" yFract="0.0562" xFract="0.2732" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.035</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H16A</scalar></atom><atom id="a35" z3="4.925009904364336" y3="1.1494984800000005" x3="4.525960444551351" zFract="0.6224" yFract="0.0988" xFract="0.4186" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.046</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H16B</scalar></atom><atom id="a36" z3="5.705033182675068" y3="1.9418147400000005" x3="3.3885236581996976" zFract="0.6408" yFract="0.1669" xFract="0.3134" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.046</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H16C</scalar></atom><atom id="a37" z3="3.6469338384337893" y3="3.4208050920000006" x3="4.465196236002907" zFract="0.50904" yFract="0.29402" xFract="0.41298" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0338</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C17</scalar></atom><atom id="a38" z3="3.537477314008124" y3="2.9959095000000007" x3="5.335789487305522" zFract="0.5372" yFract="0.2575" xFract="0.4935" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.039</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H17A</scalar></atom><atom id="a39" z3="2.8609633716332943" y3="4.01510046" x3="4.299986786426355" zFract="0.4338" yFract="0.3451" xFract="0.3977" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.027</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H17B</scalar></atom><atom id="a40" z3="4.482466976845573" y3="3.961581300000001" x3="4.378915384718818" zFract="0.5777" yFract="0.3405" xFract="0.405" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.035</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H17C</scalar></atom></atomArray><metadataList><metadata dictRef="cif:processedDisorder"/></metadataList><bondArray><bond id="a1_a2" order="1" atomRefs2="a1 a2"/><bond id="a1_a11" order="1" atomRefs2="a1 a11"/><bond id="a1_a12" order="1" atomRefs2="a1 a12"/><bond id="a2_a3" order="1" atomRefs2="a2 a3"/><bond id="a2_a13" order="1" atomRefs2="a2 a13"/><bond id="a2_a17" order="1" atomRefs2="a2 a17"/><bond id="a3_a4" order="1" atomRefs2="a3 a4"/><bond id="a3_a5" order="1" atomRefs2="a3 a5"/><bond id="a3_a6" order="1" atomRefs2="a3 a6"/><bond id="a6_a7" order="1" atomRefs2="a6 a7"/><bond id="a6_a8" order="1" atomRefs2="a6 a8"/><bond id="a6_a21" order="1" atomRefs2="a6 a21"/><bond id="a8_a9" order="1" atomRefs2="a8 a9"/><bond id="a8_a10" order="1" atomRefs2="a8 a10"/><bond id="a8_a11" order="1" atomRefs2="a8 a11"/><bond id="a11_a33" order="1" atomRefs2="a11 a33"/><bond id="a11_a37" order="1" atomRefs2="a11 a37"/><bond id="a13_a14" order="1" atomRefs2="a13 a14"/><bond id="a13_a15" order="1" atomRefs2="a13 a15"/><bond id="a13_a16" order="1" atomRefs2="a13 a16"/><bond id="a17_a18" order="1" atomRefs2="a17 a18"/><bond id="a17_a19" order="1" atomRefs2="a17 a19"/><bond id="a17_a20" order="1" atomRefs2="a17 a20"/><bond id="a21_a22" order="1" atomRefs2="a21 a22"/><bond id="a21_a23" order="1" atomRefs2="a21 a23"/><bond id="a23_a24" order="2" atomRefs2="a23 a24"/><bond id="a23_a25" order="1" atomRefs2="a23 a25"/><bond id="a25_a26" order="2" atomRefs2="a25 a26"/><bond id="a25_a29" order="1" atomRefs2="a25 a29"/><bond id="a26_a27" order="1" atomRefs2="a26 a27"/><bond id="a26_a28" order="1" atomRefs2="a26 a28"/><bond id="a29_a30" order="1" atomRefs2="a29 a30"/><bond id="a29_a31" order="1" atomRefs2="a29 a31"/><bond id="a29_a32" order="1" atomRefs2="a29 a32"/><bond id="a33_a34" order="1" atomRefs2="a33 a34"/><bond id="a33_a35" order="1" atomRefs2="a33 a35"/><bond id="a33_a36" order="1" atomRefs2="a33 a36"/><bond id="a37_a38" order="1" atomRefs2="a37 a38"/><bond id="a37_a39" order="1" atomRefs2="a37 a39"/><bond id="a37_a40" order="1" atomRefs2="a37 a40"/></bondArray></molecule>
