<?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,
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<molecule id="hg2001" xmlns="http://www.xml-cml.org/schema"><metadataList><metadata dictRef="cif:processedDisorder"/></metadataList><molecule id="hg2001_sub1"><atomArray><atom id="a25" elementType="H" xFract="0.0" yFract="0.204" zFract="0.241" x3="0.0" y3="0.9839736" z3="4.3056337"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.098</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H2O</scalar></atom><atom id="a24" elementType="H" xFract="0.07" yFract="0.13" zFract="0.184" x3="0.7538996577321558" y3="0.6270420000000002" z3="3.1201808789569254"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.108</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H1O</scalar></atom><atom id="a1" elementType="O" xFract="0.0248" yFract="0.0625" zFract="0.21769" x3="0.26709587873939233" y3="0.3014625" z3="3.8299802838304537"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0818</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O</scalar></atom></atomArray><bondArray><bond atomRefs2="a1 a24" id="a1_a24" order="1"/><bond atomRefs2="a1 a25" id="a1_a25" order="1"/></bondArray></molecule><molecule id="hg2001_sub2"><atomArray><atom id="a23_1" z3="3.6925094962020992" y3="-2.0065344000000005" x3="-3.0371386211495413" zFract="0.169" yFract="-0.416" xFract="-0.282" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.102</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H19C</scalar></atom><atom id="a13_1" z3="-1.1728849673577586" y3="-5.057334900000001" x3="-5.089899689203097" zFract="-0.1288" yFract="-1.0485" xFract="-0.4726" 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="a7" z3="1.6083112967086812" y3="2.45221656" x3="2.52340985438063" zFract="0.12133" yFract="0.5084" xFract="0.2343" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.043</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="a5_1" z3="-0.34480031022439694" y3="-2.90416914" x3="-2.873434695470559" zFract="-0.05495" yFract="-0.6021" xFract="-0.2668" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0421</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="a4_1" z3="0.35044738406342296" y3="-0.45002322" x3="-0.33494684793528634" zFract="0.01546" yFract="-0.0933" xFract="-0.0311" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0434</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C1</scalar></atom><atom id="a19" z3="-2.2808060875795126" y3="2.0933556" x3="1.1416194817086929" zFract="-0.1135" yFract="0.434" xFract="0.106" 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_label" dataType="xsd:string">H18A</scalar></atom><atom id="a6_1" z3="-0.2206872072871044" y3="-1.3722573" x3="-1.295845811690471" zFract="-0.02843" yFract="-0.2845" xFract="-0.12032" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0392</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="a11_1" z3="-3.2808311569370847" y3="-4.3318955400000005" x3="-4.526628944926072" zFract="-0.2398" yFract="-0.8981" xFract="-0.4203" 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">H15</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a14" z3="0.1403725410937322" y3="3.8963425200000006" x3="3.835195258834581" zFract="0.05544" yFract="0.8078" xFract="0.3561" 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">C17</scalar></atom><atom id="a15_1" z3="0.7114507652117394" y3="-4.19828736" x3="-4.055980158598998" zFract="-0.0105" yFract="-0.8704" xFract="-0.3766" 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">H17</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a23" z3="-3.6925094962020992" y3="2.0065344000000005" x3="3.0371386211495413" zFract="-0.169" yFract="0.416" xFract="0.282" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.102</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H19C</scalar></atom><atom id="a8" z3="2.7362313324459104" y3="2.9895433200000006" x3="3.1469925712762272" zFract="0.1922" yFract="0.6198" xFract="0.2922" 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">C14</scalar></atom><atom id="a15" z3="-0.7114507652117394" y3="4.19828736" x3="4.055980158598998" zFract="0.0105" yFract="0.8704" xFract="0.3766" 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">H17</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a20" z3="-2.1162746268163004" y3="3.448731" x3="2.0355290758768203" zFract="-0.0932" yFract="0.715" xFract="0.189" 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_label" dataType="xsd:string">H18B</scalar></atom><atom id="a16" z3="-1.984944694967127" y3="2.4435344400000005" x3="1.9999880920123045" zFract="-0.08629" yFract="0.5066" xFract="0.1857" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.052</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="a22_1" z3="2.4352133694984914" y3="-2.0065344000000005" x3="-3.9741281957595067" zFract="0.087" yFract="-0.416" xFract="-0.369" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.107</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H19B</scalar></atom><atom id="a2_1" formalCharge="0" z3="0.5457041043798116" y3="-2.20767018" x3="-2.066977461599362" zFract="0.0049" yFract="-0.4577" xFract="-0.19192" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0419</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="a14_1" z3="-0.1403725410937322" y3="-3.8963425200000006" x3="-3.835195258834581" zFract="-0.05544" yFract="-0.8078" xFract="-0.3561" 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">C17</scalar></atom><atom id="a16_1" z3="1.984944694967127" y3="-2.4435344400000005" x3="-1.9999880920123045" zFract="0.08629" yFract="-0.5066" xFract="-0.1857" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.052</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="a21_1" z3="2.6443626161275944" y3="-0.7813908000000003" x3="-2.983288645597245" zFract="0.111" yFract="-0.162" xFract="-0.277" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.146</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H19A</scalar></atom><atom id="a18_1" z3="1.27451802428312" y3="-0.5112804" x3="-0.20462990709872797" zFract="0.0688" yFract="-0.106" xFract="-0.019" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.054</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H1</scalar></atom><atom id="a6" z3="0.2206872072871044" y3="1.3722573" x3="1.295845811690471" zFract="0.02843" yFract="0.2845" xFract="0.12032" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0392</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="a3_1" z3="-1.518313171196152" y3="-1.4885012400000002" x3="-1.5350474030937735" zFract="-0.10403" yFract="-0.3086" xFract="-0.14253" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.044</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N13</scalar></atom><atom id="a12_1" z3="-1.2659208088607627" y3="-4.4013525" x3="-4.43723798550926" zFract="-0.12591" yFract="-0.9125" xFract="-0.412" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0599</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="a21" z3="-2.6443626161275944" y3="0.7813908000000003" x3="2.983288645597245" zFract="-0.111" yFract="0.162" xFract="0.277" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.146</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H19A</scalar></atom><atom id="a7_1" z3="-1.6083112967086812" y3="-2.45221656" x3="-2.52340985438063" zFract="-0.12133" yFract="-0.5084" xFract="-0.2343" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.043</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="a5" z3="0.34480031022439694" y3="2.90416914" x3="2.873434695470559" zFract="0.05495" yFract="0.6021" xFract="0.2668" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0421</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="a9_1" z3="-3.591151876352872" y3="-2.6986923000000007" x3="-2.925130672000764" zFract="-0.2373" yFract="-0.5595" xFract="-0.2716" 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">H14</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a11" z3="3.2808311569370847" y3="4.3318955400000005" x3="4.526628944926072" zFract="0.2398" yFract="0.8981" xFract="0.4203" 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">H15</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a9" z3="3.591151876352872" y3="2.6986923000000007" x3="2.925130672000764" zFract="0.2373" yFract="0.5595" xFract="0.2716" 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">H14</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a20_1" z3="2.1162746268163004" y3="-3.448731" x3="-2.0355290758768203" zFract="0.0932" yFract="-0.715" xFract="-0.189" 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_label" dataType="xsd:string">H18B</scalar></atom><atom id="a8_1" z3="-2.7362313324459104" y3="-2.9895433200000006" x3="-3.1469925712762272" zFract="-0.1922" yFract="-0.6198" xFract="-0.2922" 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">C14</scalar></atom><atom id="a10" z3="2.542527629728656" y3="3.960976080000001" x3="4.099060139040835" zFract="0.19317" yFract="0.8212" xFract="0.3806" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0592</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="a17_1" z3="2.753636319885545" y3="-1.7870697000000004" x3="-3.0974505937681145" zFract="0.1157" yFract="-0.3705" xFract="-0.2876" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0816</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C19</scalar></atom><atom id="a17" z3="-2.753636319885545" y3="1.7870697000000004" x3="3.0974505937681145" zFract="-0.1157" yFract="0.3705" xFract="0.2876" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0816</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C19</scalar></atom><atom id="a13" z3="1.1728849673577586" y3="5.057334900000001" x3="5.089899689203097" zFract="0.1288" yFract="1.0485" xFract="0.4726" 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="a3" z3="1.518313171196152" y3="1.4885012400000002" x3="1.5350474030937735" zFract="0.10403" yFract="0.3086" xFract="0.14253" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.044</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">N13</scalar></atom><atom id="a4" z3="-0.35044738406342296" y3="0.45002322" x3="0.33494684793528634" zFract="-0.01546" yFract="0.0933" xFract="0.0311" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0434</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C1</scalar></atom><atom id="a10_1" z3="-2.542527629728656" y3="-3.960976080000001" x3="-4.099060139040835" zFract="-0.19317" yFract="-0.8212" xFract="-0.3806" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0592</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="a2" formalCharge="0" z3="-0.5457041043798116" y3="2.20767018" x3="2.066977461599362" zFract="-0.0049" yFract="0.4577" xFract="0.19192" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0419</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="a22" z3="-2.4352133694984914" y3="2.0065344000000005" x3="3.9741281957595067" zFract="-0.087" yFract="0.416" xFract="0.369" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.107</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H19B</scalar></atom><atom id="a19_1" z3="2.2808060875795126" y3="-2.0933556" x3="-1.1416194817086929" zFract="0.1135" yFract="-0.434" xFract="-0.106" 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_label" dataType="xsd:string">H18A</scalar></atom><atom id="a12" z3="1.2659208088607627" y3="4.4013525" x3="4.43723798550926" zFract="0.12591" yFract="0.9125" xFract="0.412" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0599</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="a18" z3="-1.27451802428312" y3="0.5112804" x3="0.20462990709872797" zFract="-0.0688" yFract="0.106" xFract="0.019" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.054</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H1</scalar></atom></atomArray><bondArray><bond id="a5_a2" order="1" atomRefs2="a5 a2"/><bond id="a4_1_a6_1" order="1" atomRefs2="a4_1 a6_1"/><bond id="a2_1_a6_1" order="1" atomRefs2="a2_1 a6_1"/><bond id="a16_1_a20_1" order="1" atomRefs2="a16_1 a20_1"/><bond id="a5_1_a2_1" order="1" atomRefs2="a5_1 a2_1"/><bond id="a9_a8" order="1" atomRefs2="a9 a8"/><bond id="a7_a8" order="1" atomRefs2="a7 a8"/><bond id="a12_1_a14_1" order="2" atomRefs2="a12_1 a14_1"/><bond id="a7_1_a5_1" order="2" atomRefs2="a7_1 a5_1"/><bond id="a22_a17" order="1" atomRefs2="a22 a17"/><bond id="a5_1_a14_1" order="1" atomRefs2="a5_1 a14_1"/><bond id="a11_1_a10_1" order="1" atomRefs2="a11_1 a10_1"/><bond id="a23_1_a17_1" order="1" atomRefs2="a23_1 a17_1"/><bond id="a10_1_a8_1" order="2" atomRefs2="a10_1 a8_1"/><bond id="a11_a10" order="1" atomRefs2="a11 a10"/><bond id="a2_a6" order="1" atomRefs2="a2 a6"/><bond id="a4_1_a18_1" order="1" atomRefs2="a4_1 a18_1"/><bond id="a12_1_a10_1" order="1" atomRefs2="a12_1 a10_1"/><bond id="a16_1_a2_1" order="1" atomRefs2="a16_1 a2_1"/><bond id="a12_a14" order="2" atomRefs2="a12 a14"/><bond id="a4_a6" order="1" atomRefs2="a4 a6"/><bond id="a21_a17" order="1" atomRefs2="a21 a17"/><bond id="a10_a8" order="2" atomRefs2="a10 a8"/><bond id="a7_a5" order="2" atomRefs2="a7 a5"/><bond id="a15_a14" order="1" atomRefs2="a15 a14"/><bond id="a3_1_a6_1" order="2" atomRefs2="a3_1 a6_1"/><bond id="a4_a18" order="1" atomRefs2="a4 a18"/><bond id="a5_a14" order="1" atomRefs2="a5 a14"/><bond id="a16_1_a17_1" order="1" atomRefs2="a16_1 a17_1"/><bond id="a15_1_a14_1" order="1" atomRefs2="a15_1 a14_1"/><bond id="a23_a17" order="1" atomRefs2="a23 a17"/><bond id="a22_1_a17_1" order="1" atomRefs2="a22_1 a17_1"/><bond id="a16_a17" order="1" atomRefs2="a16 a17"/><bond id="a19_1_a16_1" order="1" atomRefs2="a19_1 a16_1"/><bond id="a7_1_a3_1" order="1" atomRefs2="a7_1 a3_1"/><bond id="a21_1_a17_1" order="1" atomRefs2="a21_1 a17_1"/><bond id="a9_1_a8_1" order="1" atomRefs2="a9_1 a8_1"/><bond id="a4_a4_1" order="2" atomRefs2="a4 a4_1"/><bond id="a12_a13" order="1" atomRefs2="a12 a13"/><bond id="a12_a10" order="1" atomRefs2="a12 a10"/><bond id="a7_a3" order="1" atomRefs2="a7 a3"/><bond id="a7_1_a8_1" order="1" atomRefs2="a7_1 a8_1"/><bond id="a16_a2" order="1" atomRefs2="a16 a2"/><bond id="a3_a6" order="2" atomRefs2="a3 a6"/><bond id="a12_1_a13_1" order="1" atomRefs2="a12_1 a13_1"/><bond id="a19_a16" order="1" atomRefs2="a19 a16"/><bond id="a16_a20" order="1" atomRefs2="a16 a20"/></bondArray></molecule></molecule>
