<?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

       Unless required by applicable law or agreed to in writing, software
       distributed under the License is distributed on an "AS IS" BASIS,
       WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
       See the License for the specific language governing permissions and
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<molecule id="bt6796" xmlns="http://www.xml-cml.org/schema"><metadataList><metadata dictRef="cif:processedDisorder"/></metadataList><molecule id="bt6796_sub1"><atomArray><atom id="a3" z3="15.015961986288627" y3="-0.8167219603905056" x3="9.036389028717323" zFract="1.0909" yFract="0.306" xFract="1.07" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.071</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H1AN</scalar></atom><atom id="a5" z3="10.563766150221117" y3="-3.165349948351426" x3="11.241436856192177" zFract="0.8339" yFract="0.1621" xFract="1.3311" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.076</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">H1A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a35" z3="16.435529654945956" y3="-0.7341227675981945" x3="5.61582019852912" zFract="1.11982" yFract="0.16713" xFract="0.66497" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0516</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C17A</scalar></atom><atom id="a29" z3="16.429322992538395" y3="1.9020257513091816" x3="6.385433406180531" zFract="1.15309" yFract="0.46834" xFract="0.7561" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0616</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C14A</scalar></atom><atom id="a27" z3="15.53903644406174" y3="1.0153414997744261" x3="6.948645354147969" zFract="1.10068" yFract="0.40242" xFract="0.82279" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0519</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C13A</scalar></atom><atom id="a21" z3="13.335131725460805" y3="-1.6368626302712963" x3="9.296333004702296" zFract="0.98428" yFract="0.23379" xFract="1.10078" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0503</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C9A</scalar></atom><atom id="a34" z3="17.912669037461143" y3="-0.13919314697691143" x3="4.386449029453998" zFract="1.1949" yFract="0.1747" xFract="0.5194" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.072</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">H16</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a28" z3="14.930679270963452" y3="1.3175632264969623" x3="7.583810605409492" zFract="1.0762" yFract="0.4605" xFract="0.898" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.062</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">H13A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a14" z3="12.456084425007237" y3="-0.15600338847315154" x3="6.298447605249888" zFract="0.88777" yFract="0.25531" xFract="0.7458" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0556</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C6A</scalar></atom><atom id="a8" z3="12.291443992728215" y3="-2.2810276516944197" x3="8.627555764343299" zFract="0.9024" yFract="0.13949" xFract="1.02159" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0479</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C3A</scalar></atom><atom id="a22" z3="13.344821745476294" y3="-1.625694607290507" x3="10.691652813416946" zFract="1.00959" yFract="0.295" xFract="1.266" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0634</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C10A</scalar></atom><atom id="a24" z3="12.327021327221207" y3="-2.198697939426314" x3="11.408652279340403" zFract="0.95432" yFract="0.2676" xFract="1.3509" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0669</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C11A</scalar></atom><atom id="a15" z3="12.76235771660016" y3="0.3706820798978039" x3="5.5442891564046" zFract="0.8976" yFract="0.2764" xFract="0.6565" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.067</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">H6A1</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a16" z3="12.490093801073417" y3="0.3869253934264698" x3="7.1015883497648575" zFract="0.9082" yFract="0.3451" xFract="0.8409" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.067</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">H6A2</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a9" z3="12.274546125025942" y3="-2.3690366258761992" x3="7.11805653537794" zFract="0.87404" yFract="0.06555" xFract="0.84285" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0537</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C4A</scalar></atom><atom id="a6" z3="11.267833104460394" y3="-2.8401282512783474" x3="9.383487710100765" zFract="0.84756" yFract="0.11518" xFract="1.1111" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0572</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C2A</scalar></atom><atom id="a1" z3="11.004509499724648" y3="-1.983365609228764" x3="6.579673544180997" zFract="0.78817" yFract="0.08159" xFract="0.7791" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0743</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O1A</scalar></atom><atom id="a17" z3="13.272465513740837" y3="-1.4290313320366916" x3="6.454684237989393" zFract="0.93181" yFract="0.13258" xFract="0.7643" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.047</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C7A</scalar></atom><atom id="a32" z3="17.929556383110395" y3="2.0664264050614807" x3="5.057844289064303" zFract="1.2246" yFract="0.4279" xFract="0.5989" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.076</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="a18" z3="13.465341882172737" y3="-1.7761763790479441" x3="5.558646036169852" zFract="0.9254" yFract="0.0587" xFract="0.6582" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.056</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">H7A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a31" z3="17.32380648051343" y3="1.4697192774715662" x3="5.433656729978249" zFract="1.18886" yFract="0.3834" xFract="0.6434" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0631</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C15A</scalar></atom><atom id="a30" z3="16.425778141836947" y3="2.794446666343857" x3="6.648079853650726" zFract="1.1643" yFract="0.5704" xFract="0.7872" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.074</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="a7" z3="10.5605011485927" y3="-3.2565372396714496" x3="8.94602513843015" zFract="0.7925" yFract="0.054" xFract="1.0593" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.069</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">H2A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a13" z3="10.424149594430348" y3="-0.12802322740924055" x3="6.496910354946015" zFract="0.7646" yFract="0.2667" xFract="0.7693" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.11</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">H5A2</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a25" z3="12.350462922139245" y3="-2.1842677532709884" x3="12.338471374725243" zFract="0.9723" yFract="0.3091" xFract="1.461" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.08</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">H11A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a33" z3="17.31961430036091" y3="0.1533923737081464" x3="5.040193772176435" zFract="1.17163" yFract="0.2326" xFract="0.59681" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0597</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C16A</scalar></atom><atom id="a20" z3="15.026194619906498" y3="-2.19770459115605" x3="7.204620075139017" zFract="1.0487" yFract="0.0867" xFract="0.8531" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.057</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">H8A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a36" z3="16.442802750248845" y3="-1.624925729878721" x3="5.3500490184041345" zFract="1.1088" yFract="0.0651" xFract="0.6335" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.062</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">H17A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a23" z3="14.053000964889424" y3="-1.2239283050891014" x3="11.140938697835415" zFract="1.0648" yFract="0.3552" xFract="1.3192" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.076</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">H10A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a10" z3="12.472374466529322" y3="-3.2904134175730433" x3="6.847387125685986" zFract="0.8746" yFract="-0.0398" xFract="0.8108" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.064</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">H4A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a4" z3="11.267216235046767" y3="-2.79625087168436" x3="10.757525555869277" zFract="0.8721" yFract="0.1788" xFract="1.2738" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0635</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C1A</scalar></atom><atom id="a2" formalCharge="0" z3="14.318108594794277" y3="-0.9565380647722299" x3="8.595041654286701" zFract="1.03847" yFract="0.27278" xFract="1.01774" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0597</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N1A</scalar></atom><atom id="a11" z3="11.079433618766785" y3="-0.695887743847154" x3="6.063670394971064" zFract="0.79355" yFract="0.1903" xFract="0.718" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0919</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C5A</scalar></atom><atom id="a19" z3="14.592831545304843" y3="-1.3189000912433686" x3="7.2118829672555576" zFract="1.02846" yFract="0.17638" xFract="0.85396" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0479</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C8A</scalar></atom><atom id="a26" z3="15.537023776939419" y3="-0.3205353388473484" x3="6.582544920134048" zFract="1.08392" yFract="0.25081" xFract="0.77944" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0435</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C12A</scalar></atom><atom id="a12" z3="10.887874758377432" y3="-0.7102293811825127" x3="5.112738241107914" zFract="0.7647" yFract="0.1479" xFract="0.6054" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.11</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">H5A1</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom></atomArray><bondArray><bond id="a24_a25" order="1" atomRefs2="a24 a25"/><bond id="a23_a22" order="1" atomRefs2="a23 a22"/><bond id="a1_a9" order="1" atomRefs2="a1 a9"/><bond id="a4_a24" order="1" atomRefs2="a4 a24"/><bond id="a14_a15" order="1" atomRefs2="a14 a15"/><bond id="a18_a17" order="1" atomRefs2="a18 a17"/><bond id="a17_a9" order="1" atomRefs2="a17 a9"/><bond id="a19_a17" order="1" atomRefs2="a19 a17"/><bond id="a35_a26" order="2" atomRefs2="a35 a26"/><bond id="a8_a9" order="1" atomRefs2="a8 a9"/><bond id="a10_a9" order="1" atomRefs2="a10 a9"/><bond id="a27_a28" order="1" atomRefs2="a27 a28"/><bond id="a6_a8" order="1" atomRefs2="a6 a8"/><bond id="a6_a4" order="2" atomRefs2="a6 a4"/><bond id="a27_a26" order="1" atomRefs2="a27 a26"/><bond id="a31_a32" order="1" atomRefs2="a31 a32"/><bond id="a24_a22" order="2" atomRefs2="a24 a22"/><bond id="a35_a36" order="1" atomRefs2="a35 a36"/><bond id="a29_a30" order="1" atomRefs2="a29 a30"/><bond id="a33_a34" order="1" atomRefs2="a33 a34"/><bond id="a11_a12" order="1" atomRefs2="a11 a12"/><bond id="a16_a14" order="1" atomRefs2="a16 a14"/><bond id="a11_a14" order="1" atomRefs2="a11 a14"/><bond id="a5_a4" order="1" atomRefs2="a5 a4"/><bond id="a33_a35" order="1" atomRefs2="a33 a35"/><bond id="a14_a17" order="1" atomRefs2="a14 a17"/><bond id="a2_a19" order="1" atomRefs2="a2 a19"/><bond id="a31_a33" order="2" atomRefs2="a31 a33"/><bond id="a8_a21" order="2" atomRefs2="a8 a21"/><bond id="a27_a29" order="2" atomRefs2="a27 a29"/><bond id="a21_a22" order="1" atomRefs2="a21 a22"/><bond id="a2_a21" order="1" atomRefs2="a2 a21"/><bond id="a20_a19" order="1" atomRefs2="a20 a19"/><bond id="a7_a6" order="1" atomRefs2="a7 a6"/><bond id="a2_a3" order="1" atomRefs2="a2 a3"/><bond id="a31_a29" order="1" atomRefs2="a31 a29"/><bond id="a11_a1" order="1" atomRefs2="a11 a1"/><bond id="a13_a11" order="1" atomRefs2="a13 a11"/><bond id="a19_a26" order="1" atomRefs2="a19 a26"/></bondArray></molecule><molecule id="bt6796_sub2"><atomArray><atom id="a54" z3="5.400356038598691" y3="4.577569851876234" x3="4.89147338825521" zFract="0.4584" yFract="0.6761" xFract="0.5792" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.06</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">H7B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a61" z3="5.287650305507842" y3="10.981686299991821" x3="7.445308941791769" zFract="0.5452" yFract="1.4373" xFract="0.8816" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.083</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">H11B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a60" z3="5.1235832306790945" y3="10.14554503379728" x3="7.072030067895222" zFract="0.522" yFract="1.3362" xFract="0.8374" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0692</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C11B</scalar></atom><atom id="a70" z3="9.748101794243608" y3="2.4106903215407045" x3="4.9995722476641635" zFract="0.7153" yFract="0.4604" xFract="0.592" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.081</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">H16B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a46" z3="4.474425437688322" y3="6.500999213241195" x3="4.204032204201387" zFract="0.4031" yFract="0.8421" xFract="0.4978" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.068</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">H4B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a50" z3="4.7870672785930335" y3="4.7345393312717245" x3="6.845698081007722" zFract="0.45578" yFract="0.7762" xFract="0.8106" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0579</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C6B</scalar></atom><atom id="a47" z3="3.3077221422517784" y3="4.957485771883505" x3="6.630344884528945" zFract="0.3613" yFract="0.7896" xFract="0.7851" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0693</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C5B</scalar></atom><atom id="a42" z3="3.674666152543991" y3="8.638452100361956" x3="5.944592745153387" zFract="0.40015" yFract="1.1344" xFract="0.7039" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0663</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C2B</scalar></atom><atom id="a52" z3="4.9853152859979115" y3="3.791588506678439" x3="6.954641462755809" zFract="0.4629" yFract="0.685" xFract="0.8235" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.07</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">H6B2</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a63" z3="7.950598533481161" y3="4.424636571212259" x3="7.499865084899725" zFract="0.66251" yFract="0.77285" xFract="0.88806" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0569</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C13B</scalar></atom><atom id="a48" z3="2.917117310441009" y3="5.376697769346244" x3="7.412372570565603" zFract="0.3539" yFract="0.8659" xFract="0.8777" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.083</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">H5B1</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a45" z3="4.420986126335081" y3="6.355875886828663" x3="5.171601448145446" zFract="0.41573" yFract="0.869" xFract="0.61237" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0563</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C4B</scalar></atom><atom id="a67" z3="9.443813204520637" y3="2.640679543543157" x3="6.968998342521061" zFract="0.7328" yFract="0.56858" xFract="0.8252" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.064</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C15B</scalar></atom><atom id="a51" z3="5.1020444989982074" y3="5.216060715922797" x3="7.626881244705248" zFract="0.4929" yFract="0.8588" xFract="0.9031" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.07</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">H6B1</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a62" z3="7.792794894370736" y3="4.727493912786366" x3="6.153696476322584" zFract="0.63121" yFract="0.74569" xFract="0.72866" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0482</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C12B</scalar></atom><atom id="a55" z3="6.846785923527017" y3="5.807358928354126" x3="5.682115202151018" zFract="0.57204" yFract="0.8352" xFract="0.67282" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0494</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C8B</scalar></atom><atom id="a64" z3="7.500216602507943" y3="4.927240927293302" x3="8.139506304558651" zFract="0.6495" yFract="0.8515" xFract="0.9638" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.068</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">H13B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a49" z3="2.8619985176137184" y3="4.109463813776882" x3="6.482553475180763" zFract="0.3244" yFract="0.697" xFract="0.7676" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.083</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">H5B2</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a58" z3="6.115542427014742" y3="9.19235334903993" x3="7.05767318812997" zFract="0.57643" yFract="1.23865" xFract="0.8357" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0619</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C10B</scalar></atom><atom id="a39" z3="7.651277363491027" y3="7.266691688142254" x3="6.697062149320409" zFract="0.6513" yFract="1.0273" xFract="0.793" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.061</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H1BN</scalar></atom><atom id="a37" z3="3.143997649662089" y3="5.799180443622661" x3="5.491928771378388" zFract="0.3374" yFract="0.82618" xFract="0.6503" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0709</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O1B</scalar></atom><atom id="a68" z3="9.999122092954904" y3="1.9461862920525559" x3="7.241779058060846" zFract="0.767" yFract="0.5097" xFract="0.8575" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.077</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="a71" z3="8.484089288166626" y3="3.960478878214881" x3="5.231815890925591" zFract="0.65227" yFract="0.628" xFract="0.6195" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0595</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C17B</scalar></atom><atom id="a66" z3="8.860353400821136" y3="3.1933315163904226" x3="8.806678952473295" zFract="0.733" yFract="0.7039" xFract="1.0428" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.078</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="a40" z3="3.8876149116016756" y3="9.86097409645637" x3="6.5340693378678445" zFract="0.43316" yFract="1.2841" xFract="0.7737" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0729</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C1B</scalar></atom><atom id="a53" z3="5.418243074141949" y3="5.283025627710325" x3="5.57156722795858" zFract="0.47689" yFract="0.77712" xFract="0.65973" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0502</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C7B</scalar></atom><atom id="a57" z3="5.901588803168127" y3="7.934162830270732" x3="6.486016016771207" zFract="0.5434" yFract="1.08609" xFract="0.76801" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0504</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C9B</scalar></atom><atom id="a69" z3="9.298183044465237" y3="2.9213490591662534" x3="5.63296400201351" zFract="0.70227" yFract="0.5396" xFract="0.667" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0677</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C16B</scalar></atom><atom id="a59" z3="6.942362705876947" y3="9.388370490074477" x3="7.434330151383047" zFract="0.6362" yFract="1.2748" xFract="0.8803" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.074</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">H10B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a43" z3="2.8417391510944943" y3="8.455174210341486" x3="5.573847438274237" zFract="0.3402" yFract="1.0998" xFract="0.66" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.08</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">H2B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a44" z3="4.667898797193586" y3="7.665850592184832" x3="5.884800563542809" zFract="0.45371" yFract="1.03292" xFract="0.69682" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0522</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C3B</scalar></atom><atom id="a38" formalCharge="0" z3="6.877347510857222" y3="6.954353175706643" x3="6.579589091947083" zFract="0.59852" yFract="0.99048" xFract="0.77909" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0563</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N1B</scalar></atom><atom id="a56" z3="7.1363243116937785" y3="6.103923243695958" x3="4.793508796915844" zFract="0.5767" yFract="0.8271" xFract="0.5676" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.059</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">H8B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a41" z3="3.204181545767878" y3="10.490059303020182" x3="6.569539276111408" zFract="0.3959" yFract="1.3496" xFract="0.7779" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.087</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">H1B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a72" z3="8.399088677413365" y3="4.149784429290144" x3="4.3247988986973285" zFract="0.6324" yFract="0.6082" xFract="0.5121" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.071</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">H17B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a65" z3="8.767162073508196" y3="3.387464584892624" x3="7.902195527262429" zFract="0.7127" yFract="0.6847" xFract="0.9357" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0647</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C14B</scalar></atom></atomArray><bondArray><bond id="a42_a40" order="2" atomRefs2="a42 a40"/><bond id="a55_a38" order="1" atomRefs2="a55 a38"/><bond id="a59_a58" order="1" atomRefs2="a59 a58"/><bond id="a44_a45" order="1" atomRefs2="a44 a45"/><bond id="a65_a67" order="1" atomRefs2="a65 a67"/><bond id="a47_a37" order="1" atomRefs2="a47 a37"/><bond id="a47_a49" order="1" atomRefs2="a47 a49"/><bond id="a68_a67" order="1" atomRefs2="a68 a67"/><bond id="a55_a62" order="1" atomRefs2="a55 a62"/><bond id="a69_a70" order="1" atomRefs2="a69 a70"/><bond id="a69_a67" order="2" atomRefs2="a69 a67"/><bond id="a65_a63" order="2" atomRefs2="a65 a63"/><bond id="a60_a58" order="2" atomRefs2="a60 a58"/><bond id="a56_a55" order="1" atomRefs2="a56 a55"/><bond id="a57_a58" order="1" atomRefs2="a57 a58"/><bond id="a45_a37" order="1" atomRefs2="a45 a37"/><bond id="a64_a63" order="1" atomRefs2="a64 a63"/><bond id="a53_a50" order="1" atomRefs2="a53 a50"/><bond id="a42_a44" order="1" atomRefs2="a42 a44"/><bond id="a41_a40" order="1" atomRefs2="a41 a40"/><bond id="a47_a48" order="1" atomRefs2="a47 a48"/><bond id="a53_a54" order="1" atomRefs2="a53 a54"/><bond id="a51_a50" order="1" atomRefs2="a51 a50"/><bond id="a43_a42" order="1" atomRefs2="a43 a42"/><bond id="a72_a71" order="1" atomRefs2="a72 a71"/><bond id="a57_a38" order="1" atomRefs2="a57 a38"/><bond id="a38_a39" order="1" atomRefs2="a38 a39"/><bond id="a69_a71" order="1" atomRefs2="a69 a71"/><bond id="a46_a45" order="1" atomRefs2="a46 a45"/><bond id="a60_a61" order="1" atomRefs2="a60 a61"/><bond id="a53_a45" order="1" atomRefs2="a53 a45"/><bond id="a71_a62" order="2" atomRefs2="a71 a62"/><bond id="a50_a52" order="1" atomRefs2="a50 a52"/><bond id="a60_a40" order="1" atomRefs2="a60 a40"/><bond id="a50_a47" order="1" atomRefs2="a50 a47"/><bond id="a63_a62" order="1" atomRefs2="a63 a62"/><bond id="a57_a44" order="2" atomRefs2="a57 a44"/><bond id="a66_a65" order="1" atomRefs2="a66 a65"/><bond id="a53_a55" order="1" atomRefs2="a53 a55"/></bondArray></molecule></molecule>
