<?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="ac6225" xmlns="http://www.xml-cml.org/schema"><atomArray><atom id="a1" formalCharge="0" z3="4.982839480000001" y3="3.106721772" x3="9.11260845" zFract="0.8714" yFract="0.14861" xFract="0.88429" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0276</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O1</scalar></atom><atom id="a2" formalCharge="0" z3="3.8923787400000007" y3="1.0306263600000003" x3="6.3592154999999995" zFract="0.6807" yFract="0.0493" xFract="0.6171" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0208</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="a3" z3="5.364243420000001" y3="3.2536853280000004" x3="4.78152" zFract="0.9381" yFract="0.15564" xFract="0.464" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0171</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="a4" z3="7.296423200000001" y3="4.524930540000001" x3="5.1923803500000005" zFract="1.276" yFract="0.21645" xFract="0.50387" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.024</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O2</scalar></atom><atom id="a5" z3="4.45790872" y3="2.7072234000000006" x3="3.884985" zFract="0.7796" yFract="0.1295" xFract="0.377" 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">C2</scalar></atom><atom id="a6" z3="3.7425619000000006" y3="2.1783218400000006" x3="4.2157755" zFract="0.6545" yFract="0.1042" xFract="0.4091" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.026</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">H2</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a7" z3="4.56769816" y3="2.913348672" x3="2.510298" zFract="0.7988" yFract="0.13936" xFract="0.2436" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0253</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="a8" z3="3.9289752200000008" y3="2.5399818" x3="1.914669" zFract="0.6871" yFract="0.1215" xFract="0.1858" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.03</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">H3</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a9" z3="5.61755968" y3="3.668444496" x3="2.0269935" zFract="0.9824" yFract="0.17548" xFract="0.1967" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0261</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="a10" z3="5.702760860000001" y3="3.8131084800000004" x3="1.0912994999999999" zFract="0.9973" yFract="0.1824" xFract="0.1059" 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_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H4</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a11" z3="6.54962628" y3="4.219505568" x3="2.8946745" zFract="1.1454" yFract="0.20184" xFract="0.2809" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.024</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="a12" z3="7.275265860000001" y3="4.72875624" x3="2.553579" zFract="1.2723" yFract="0.2262" xFract="0.2478" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.029</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">H5</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a13" z3="6.416964040000002" y3="4.022369532" x3="4.262148" zFract="1.1222" yFract="0.19241" xFract="0.4136" 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">C6</scalar></atom><atom id="a14" z3="5.212711120000001" y3="3.1186377360000006" x3="6.227311499999999" zFract="0.9116" yFract="0.14918" xFract="0.6043" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0176</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C7</scalar></atom><atom id="a15" z3="5.639860660000001" y3="3.7901127600000004" x3="6.745652999999999" zFract="0.9863" yFract="0.1813" xFract="0.6546" 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_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H7</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a16" z3="4.556833580000002" y3="2.1816666720000004" x3="6.9280515" zFract="0.7969" yFract="0.10436" xFract="0.6723" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0176</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="a17" z3="4.444756860000001" y3="2.2638241080000006" x3="8.40888" zFract="0.7773" yFract="0.10829" xFract="0.816" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0202</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="3.577877740000001" y3="1.1483226360000005" x3="8.928251999999999" zFract="0.6257" yFract="0.05493" xFract="0.8664" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0258</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C10</scalar></atom><atom id="a19" z3="3.4640855600000013" y3="1.2166826400000008" x3="9.9185625" zFract="0.6058" yFract="0.0582" xFract="0.9625" 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_calc_flag" dataType="xsd:string">calc</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H10</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a20" z3="4.278929060000001" y3="-0.16117909199999947" x3="8.544906000000001" zFract="0.7483" yFract="-0.00771" xFract="0.8292" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0299</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="a21" z3="5.1692528000000015" y3="-0.20905199999999946" x3="8.9746245" zFract="0.904" yFract="-0.01" xFract="0.8709" 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_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="a22" z3="3.7425619000000006" y3="-0.9344624399999995" x3="8.849934" zFract="0.6545" yFract="-0.0447" xFract="0.8588" 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_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="a23" z3="4.431033180000001" y3="-0.1937912039999996" x3="7.0001865" zFract="0.7749" yFract="-0.00927" xFract="0.6793" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0242</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="a24" z3="3.954135300000001" y3="-0.9846349199999996" x3="6.642602999999999" zFract="0.6915" yFract="-0.0471" xFract="0.6446" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.029</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">H12A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a25" z3="5.3894035" y3="-0.2864012399999996" x3="6.7693545" zFract="0.9425" yFract="-0.0137" xFract="0.6569" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.029</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">H12B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a26" z3="2.2238079800000006" y3="1.1857429440000005" x3="8.218237499999999" zFract="0.3889" yFract="0.05672" xFract="0.7975" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0309</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="a27" z3="1.6725735000000004" y3="0.41392296000000056" x3="8.501624999999999" zFract="0.2925" yFract="0.0198" xFract="0.825" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.037</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="a28" z3="1.7411919000000007" y3="2.0173518000000006" x3="8.456282999999999" zFract="0.3045" yFract="0.0965" xFract="0.8206" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.037</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="a29" z3="2.4593978200000004" y3="1.1315984760000004" x3="6.6910365" zFract="0.4301" yFract="0.05413" xFract="0.6493" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0251</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="a30" z3="2.0848557200000006" y3="1.9483646400000005" x3="6.273684" zFract="0.3646" yFract="0.0932" xFract="0.6088" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.03</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="a31" z3="1.9819281200000007" y3="0.35120736000000036" x3="6.314904" zFract="0.3466" yFract="0.0168" xFract="0.6128" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.03</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="a32" z3="8.22505888" y3="5.526916776" x3="4.7454525" zFract="1.4384" yFract="0.26438" xFract="0.4605" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0288</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="a33" z3="7.732721860000002" y3="6.27156" x3="4.342527" zFract="1.3523" yFract="0.3" xFract="0.4214" elementType="H"><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">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="a34" z3="8.74427144" y3="5.853456" x3="5.5100834999999995" zFract="1.5292" yFract="0.28" xFract="0.5347" elementType="H"><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">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="a35" z3="8.83118808" y3="5.13849816" x3="4.0818105" zFract="1.5444" yFract="0.2458" xFract="0.3961" elementType="H"><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">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></atomArray><metadataList><metadata dictRef="cif:processedDisorder"/></metadataList><bondArray><bond id="a1_a17" order="2" atomRefs2="a1 a17"/><bond id="a2_a16" order="1" atomRefs2="a2 a16"/><bond id="a2_a23" order="1" atomRefs2="a2 a23"/><bond id="a2_a29" order="1" atomRefs2="a2 a29"/><bond id="a3_a5" order="2" atomRefs2="a3 a5"/><bond id="a3_a13" order="1" atomRefs2="a3 a13"/><bond id="a3_a14" order="1" atomRefs2="a3 a14"/><bond id="a4_a13" order="1" atomRefs2="a4 a13"/><bond id="a4_a32" order="1" atomRefs2="a4 a32"/><bond id="a5_a6" order="1" atomRefs2="a5 a6"/><bond id="a5_a7" order="1" atomRefs2="a5 a7"/><bond id="a7_a8" order="1" atomRefs2="a7 a8"/><bond id="a7_a9" order="2" atomRefs2="a7 a9"/><bond id="a9_a10" order="1" atomRefs2="a9 a10"/><bond id="a9_a11" order="1" atomRefs2="a9 a11"/><bond id="a11_a12" order="1" atomRefs2="a11 a12"/><bond id="a11_a13" order="2" atomRefs2="a11 a13"/><bond id="a14_a15" order="1" atomRefs2="a14 a15"/><bond id="a14_a16" order="2" atomRefs2="a14 a16"/><bond id="a16_a17" order="1" atomRefs2="a16 a17"/><bond id="a17_a18" order="1" atomRefs2="a17 a18"/><bond id="a18_a19" order="1" atomRefs2="a18 a19"/><bond id="a18_a20" order="1" atomRefs2="a18 a20"/><bond id="a18_a26" order="1" atomRefs2="a18 a26"/><bond id="a20_a21" order="1" atomRefs2="a20 a21"/><bond id="a20_a22" order="1" atomRefs2="a20 a22"/><bond id="a20_a23" order="1" atomRefs2="a20 a23"/><bond id="a23_a24" order="1" atomRefs2="a23 a24"/><bond id="a23_a25" order="1" atomRefs2="a23 a25"/><bond id="a26_a27" order="1" atomRefs2="a26 a27"/><bond id="a26_a28" order="1" atomRefs2="a26 a28"/><bond id="a26_a29" order="1" atomRefs2="a26 a29"/><bond id="a29_a30" order="1" atomRefs2="a29 a30"/><bond id="a29_a31" order="1" atomRefs2="a29 a31"/><bond id="a32_a33" order="1" atomRefs2="a32 a33"/><bond id="a32_a34" order="1" atomRefs2="a32 a34"/><bond id="a32_a35" order="1" atomRefs2="a32 a35"/></bondArray></molecule>
