<?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="bt6803" xmlns="http://www.xml-cml.org/schema"><metadataList><metadata dictRef="cif:processedDisorder"/></metadataList><molecule id="bt6803_sub1"><atomArray><atom id="a41" z3="10.952881605838895" y3="3.4470801" x3="4.3853349163197" zFract="1.0063" yFract="0.1689" xFract="0.5171" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0775</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="a8" z3="11.081377325973648" y3="9.7452975" x3="1.9912524431480674" zFract="1.0153" yFract="0.4775" xFract="0.2348" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.066</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">H11C</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a5" formalCharge="1" z3="11.827549463766553" y3="9.29731995" x3="1.8063746609477782" zFract="1.0833" yFract="0.45555" xFract="0.213" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0475</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N11</scalar></atom><atom id="a39" z3="11.968472907280193" y3="4.1409861" x3="4.959473717005919" zFract="1.0998" yFract="0.2029" xFract="0.5848" elementType="C"><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">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C17</scalar></atom><atom id="a7" z3="12.013450440025043" y3="9.375894599999999" x3="0.9396540489812856" zFract="1.0993" yFract="0.4594" xFract="0.1108" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.066</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="a43" z3="10.07749736825305" y3="4.0695546" x3="3.5347275055541503" zFract="0.9253" yFract="0.1994" xFract="0.4168" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0746</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="a31" z3="12.807002325027241" y3="5.9614689" x3="5.085835136950153" zFract="1.1766" yFract="0.2921" xFract="0.5997" 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">H18</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a30" z3="12.108477757291302" y3="5.4859392" x3="4.699118308127531" zFract="1.1123" yFract="0.2688" xFract="0.5541" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0586</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C18</scalar></atom><atom id="a6" z3="12.49975426260604" y3="9.628966199999999" x3="2.285530380870546" zFract="1.1453" yFract="0.4718" xFract="0.2695" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.066</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="a1" z3="9.949237559610815" y3="8.5248393" x3="4.1579691667421885" zFract="0.91429" yFract="0.4177" xFract="0.49029" elementType="Cl"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0549</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Cl1</scalar></atom><atom id="a42" z3="10.851027210879902" y3="2.5409205000000004" x3="4.569364635298887" zFract="0.9972" yFract="0.1245" xFract="0.5388" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.101</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="a14" z3="11.214284363027208" y3="6.1329044999999995" x3="3.865472161784025" zFract="1.0296" yFract="0.3005" xFract="0.4558" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0414</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="a34" z3="12.431677951223124" y3="7.3839762" x3="1.8699794025304466" zFract="1.1386" yFract="0.3618" xFract="0.2205" 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">H112</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a17" z3="11.393722827207881" y3="7.61970015" x3="3.600876436800125" zFract="1.0457" yFract="0.37335" xFract="0.4246" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0429</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C12</scalar></atom><atom id="a44" z3="9.398929071364922" y3="3.5817794999999997" x3="3.126809096203971" zFract="0.8628" yFract="0.1755" xFract="0.3687" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.097</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">H15</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a32" z3="11.640642958703324" y3="7.8758331" x3="2.1430557597253688" zFract="1.0666" yFract="0.3859" xFract="0.2527" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.049</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="a33" z3="10.890049859050775" y3="7.530920999999999" x3="1.634217827064023" zFract="0.9974" yFract="0.369" xFract="0.1927" 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">H111</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a26" z3="10.200934075755475" y3="5.4124668" x3="3.2870930449922953" zFract="0.9363" yFract="0.2652" xFract="0.3876" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0604</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="a18" z3="12.170590812528255" y3="7.932978299999999" x3="4.108018243019266" zFract="1.1173" yFract="0.3887" xFract="0.4844" 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">H12</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a40" z3="12.567373451392784" y3="3.7103562" x3="5.526828011923319" zFract="1.1552" yFract="0.1818" xFract="0.6517" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.094</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">H17</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a27" z3="9.594312374639406" y3="5.836973999999999" x3="2.7248271294015076" zFract="0.8802" yFract="0.286" xFract="0.3213" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.079</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">H14</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom></atomArray><bondArray><bond id="a34_a32" order="1" atomRefs2="a34 a32"/><bond id="a6_a5" order="1" atomRefs2="a6 a5"/><bond id="a8_a5" order="1" atomRefs2="a8 a5"/><bond id="a26_a27" order="1" atomRefs2="a26 a27"/><bond id="a7_a5" order="1" atomRefs2="a7 a5"/><bond id="a32_a5" order="1" atomRefs2="a32 a5"/><bond id="a17_a14" order="1" atomRefs2="a17 a14"/><bond id="a41_a43" order="2" atomRefs2="a41 a43"/><bond id="a17_a32" order="1" atomRefs2="a17 a32"/><bond id="a42_a41" order="1" atomRefs2="a42 a41"/><bond id="a44_a43" order="1" atomRefs2="a44 a43"/><bond id="a39_a30" order="2" atomRefs2="a39 a30"/><bond id="a14_a26" order="2" atomRefs2="a14 a26"/><bond id="a40_a39" order="1" atomRefs2="a40 a39"/><bond id="a17_a18" order="1" atomRefs2="a17 a18"/><bond id="a31_a30" order="1" atomRefs2="a31 a30"/><bond id="a39_a41" order="1" atomRefs2="a39 a41"/><bond id="a14_a30" order="1" atomRefs2="a14 a30"/><bond id="a43_a26" order="1" atomRefs2="a43 a26"/><bond id="a32_a33" order="1" atomRefs2="a32 a33"/><bond id="a17_a1" order="1" atomRefs2="a17 a1"/></bondArray></molecule><molecule id="bt6803_sub2"><atomArray><atom id="a29" z3="14.724012904435" y3="1.898037" x3="-0.8811376867252309" zFract="1.345" yFract="0.093" xFract="-0.1039" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.065</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">H24</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a35" z3="13.561649305876296" y3="5.3247081000000005" x3="-0.3069988860390121" zFract="1.2394" yFract="0.2609" xFract="-0.0362" 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">C27</scalar></atom><atom id="a21" z3="13.62124052873807" y3="1.6674153" x3="2.0921719664592344" zFract="1.2476" yFract="0.0817" xFract="0.2467" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.055</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">H212</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a25" z3="16.015331300879733" y3="3.6674973" x3="-1.5324502405317537" zFract="1.4623" yFract="0.1797" xFract="-0.1807" 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">H25</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a23" z3="11.981992015610858" y3="4.4001804" x3="0.5698984845807075" zFract="1.096" yFract="0.2156" xFract="0.0672" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.066</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">H28</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a9" formalCharge="1" z3="12.187788236868723" y3="0.2736846900000002" x3="2.3889940938450196" zFract="1.1169" yFract="0.01341" xFract="0.2817" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0459</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N21</scalar></atom><atom id="a37" z3="14.755482888314083" y3="5.092045499999999" x3="-0.948134681192308" zFract="1.3478" yFract="0.2495" xFract="-0.1118" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0613</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C26</scalar></atom><atom id="a20" z3="12.210070664557396" y3="2.2960125" x3="2.356767691443134" zFract="1.1189" yFract="0.1125" xFract="0.2779" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.055</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">H211</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a12" z3="11.313436832803397" y3="0.20613090000000012" x3="2.2405830301521266" zFract="1.0368" yFract="0.0101" xFract="0.2642" 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">H21C</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a11" z3="12.346380617938935" y3="0.21225360000000018" x3="3.2624992115803297" zFract="1.1324" yFract="0.0104" xFract="0.3847" 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">H21B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a2" z3="10.698828333709802" y3="1.8835466099999998" x3="0.0832798083122403" zFract="0.97814" yFract="0.09229" xFract="0.00982" elementType="Cl"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0549</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Cl2</scalar></atom><atom id="a10" z3="12.612094639492756" y3="-0.3836891999999999" x3="1.9632663568516935" zFract="1.1552" yFract="-0.0188" xFract="0.2315" 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">H21A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a28" z3="14.427752951659468" y3="2.7654195" x3="-0.7217018011580091" zFract="1.3181" yFract="0.1355" xFract="-0.0851" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0499</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C24</scalar></atom><atom id="a22" z3="12.789291132241837" y3="4.2471129" x3="0.13399398893415446" zFract="1.1693" yFract="0.2081" xFract="0.0158" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0506</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C28</scalar></atom><atom id="a15" z3="12.475185896888128" y3="1.7566026299999997" x3="0.40791840935017903" zFract="1.1409" yFract="0.08607" xFract="0.0481" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0364</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C22</scalar></atom><atom id="a19" z3="12.676466766043138" y3="1.5849629400000003" x3="1.889484856615798" zFract="1.161" yFract="0.07766" xFract="0.2228" elementType="C"><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">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C21</scalar></atom><atom id="a16" z3="12.823334370034743" y3="0.9633048" x3="-0.050883793266134604" zFract="1.1722" yFract="0.0472" xFract="-0.0060" elementType="H"><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">Uiso</scalar><scalar dictRef="iucr:_atom_site_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H22</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a13" z3="13.224052983553856" y3="2.9633868" x3="-0.07886987956250863" zFract="1.2088" yFract="0.1452" xFract="-0.0093" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0361</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C23</scalar></atom><atom id="a36" z3="13.26892648111466" y3="6.196172399999999" x3="-0.16791651777824418" zFract="1.2128" yFract="0.3036" xFract="-0.0198" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.084</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">H27</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a24" z3="15.192038754771339" y3="3.8205648" x3="-1.1296202105081883" zFract="1.3875" yFract="0.1872" xFract="-0.1332" elementType="C"><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">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C25</scalar></atom><atom id="a38" z3="15.263655422692112" y3="5.806360499999999" x3="-1.2576777568946267" zFract="1.3939" yFract="0.2845" xFract="-0.1483" 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">H26</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom></atomArray><bondArray><bond id="a15_a16" order="1" atomRefs2="a15 a16"/><bond id="a29_a28" order="1" atomRefs2="a29 a28"/><bond id="a15_a2" order="1" atomRefs2="a15 a2"/><bond id="a19_a20" order="1" atomRefs2="a19 a20"/><bond id="a36_a35" order="1" atomRefs2="a36 a35"/><bond id="a25_a24" order="1" atomRefs2="a25 a24"/><bond id="a19_a21" order="1" atomRefs2="a19 a21"/><bond id="a9_a12" order="1" atomRefs2="a9 a12"/><bond id="a37_a35" order="2" atomRefs2="a37 a35"/><bond id="a22_a13" order="2" atomRefs2="a22 a13"/><bond id="a19_a9" order="1" atomRefs2="a19 a9"/><bond id="a11_a9" order="1" atomRefs2="a11 a9"/><bond id="a9_a10" order="1" atomRefs2="a9 a10"/><bond id="a22_a23" order="1" atomRefs2="a22 a23"/><bond id="a22_a35" order="1" atomRefs2="a22 a35"/><bond id="a37_a38" order="1" atomRefs2="a37 a38"/><bond id="a28_a13" order="1" atomRefs2="a28 a13"/><bond id="a15_a13" order="1" atomRefs2="a15 a13"/><bond id="a24_a37" order="1" atomRefs2="a24 a37"/><bond id="a24_a28" order="2" atomRefs2="a24 a28"/><bond id="a19_a15" order="1" atomRefs2="a19 a15"/></bondArray></molecule><molecule id="bt6803_sub3"><atomArray><atom id="a3" elementType="Cl" xFract="0.14455" yFract="0.5537" zFract="0.85463" x3="1.2258753861032927" y3="11.300463299999999" z3="9.333413353579603"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0521</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Cl3</scalar></atom></atomArray></molecule><molecule id="bt6803_sub4"><atomArray><atom id="a4" elementType="Cl" xFract="0.35859" yFract="0.00358" zFract="0.83378" x3="3.0410699045505347" y3="0.0730642200000002" z3="9.082555281873468"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0585</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">Cl4</scalar></atom></atomArray></molecule></molecule>
