<?xml version="1.0" encoding="UTF-8"?>
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       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="kp2001" xmlns="http://www.xml-cml.org/schema"><atomArray><atom id="a2" z3="1.510959697048849" y3="-1.1185260411201243" x3="8.727198736515138" occupancy="0.34" zFract="0.0364" yFract="-0.294" xFract="1.158" elementType="F"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.15</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">F1B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">P</scalar></atom><atom id="a3" z3="4.749714914373283" y3="1.6059153684182075" x3="6.786565166003352" zFract="0.25491" yFract="-0.0064" xFract="0.9005" elementType="O"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0828</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="a4" formalCharge="0" 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dataType="xsd:double">0.0651</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">O4</scalar></atom><atom id="a7" z3="-0.36710486062552805" y3="0.7390637301505103" x3="11.009986730721042" zFract="-0.1401" yFract="-0.1779" xFract="1.4609" elementType="N"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.1277</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="a8" z3="0.5250241032278965" y3="0.8426975262291816" x3="10.315880509967117" zFract="-0.0711" yFract="-0.1532" xFract="1.3688" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0883</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="a9" z3="1.6616110875536216" y3="1.0167617789215493" x3="9.455972586101506" zFract="0.0161" yFract="-0.1185" xFract="1.2547" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0701</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="a10" z3="2.2432607902623656" y3="2.2441690544093107" x3="9.319563003086891" zFract="0.045" yFract="-0.0053" xFract="1.2366" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0794</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="a11" z3="1.9251464045930284" y3="2.9718464621719733" x3="9.816214468316899" occupancy="0.34" zFract="0.0094" yFract="0.049" xFract="1.3025" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.095</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">H3A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">P</scalar></atom><atom id="a12" z3="3.3006421999703486" y3="2.4475887495038227" x3="8.48377169058298" zFract="0.126" yFract="0.0315" xFract="1.1257" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0827</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="a13" z3="3.696517661179749" y3="3.286239967756212" x3="8.415190077023146" zFract="0.1454" yFract="0.1083" xFract="1.1166" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.099</scalar><scalar dictRef="iucr:_atom_site_adp_type" dataType="xsd:string">Uiso</scalar><scalar 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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">H19A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a41" z3="8.688392918308757" y3="3.8288738937334927" x3="-3.606940686784236" zFract="0.61" yFract="0.4237" xFract="-0.4786" 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">H19B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a42" 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x3="-4.1262014751658365" zFract="0.7404" yFract="0.6028" xFract="-0.5475" 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">H20B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a45" z3="9.623036289748082" y3="5.168745003688326" x3="-5.758594606710896" zFract="0.6821" yFract="0.5917" xFract="-0.7641" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0784</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="a46" z3="8.996772161246977" y3="5.905940958484178" x3="-5.683230196205583" zFract="0.6285" yFract="0.6562" xFract="-0.7541" 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">H21A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a47" z3="9.119039454418587" y3="4.382757475144145" x3="-6.022370043479488" zFract="0.6576" yFract="0.527" xFract="-0.7991" 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">H21B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a48" z3="10.61461094776519" y3="5.490434123431772" x3="-6.846103050302549" zFract="0.7595" yFract="0.6447" xFract="-0.9084" elementType="C"><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">Uani</scalar><scalar dictRef="iucr:_atom_site_label" dataType="xsd:string">C22</scalar></atom><atom id="a49" z3="10.13501043482696" y3="5.82628948857381" x3="-7.61934190208705" zFract="0.729" yFract="0.692" xFract="-1.011" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.122</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">H22A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a50" 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x3="-7.369885703314468" zFract="0.8052" yFract="0.4802" xFract="-0.9779" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.179</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">H23A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a53" z3="12.090506619403378" y3="4.099742823017887" x3="-6.563486510907628" zFract="0.8775" yFract="0.5136" xFract="-0.8709" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.179</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">H23B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a54" z3="12.202636319170491" y3="4.505419134805042" x3="-8.54180228667207" zFract="0.8999" yFract="0.5939" xFract="-1.1334" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.17</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="a55" z3="12.702180931741768" y3="3.7126024931307104" x3="-8.752068991981892" zFract="0.9464" yFract="0.5274" xFract="-1.1613" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.255</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">H24A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a56" z3="11.582903403721236" y3="4.691110698960685" x3="-9.250981389527057" zFract="0.8605" yFract="0.6263" xFract="-1.2275" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.255</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">H24B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a57" z3="12.80655850361779" y3="5.245419276004149" x3="-8.441567620700006" zFract="0.9336" yFract="0.6581" xFract="-1.1201" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.255</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">H24C</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a58" z3="11.475833547759414" y3="2.781385502039866" x3="3.563982972796208" zFract="0.7514" yFract="0.1706" xFract="0.4729" elementType="C"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.0792</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="a59" z3="12.40798575508668" y3="2.926451253800834" x3="3.389137540423884" zFract="0.8178" yFract="0.1875" xFract="0.4497" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.119</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">H25A</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a60" z3="11.219995931313191" y3="3.260110215765229" x3="4.356062927207038" zFract="0.7202" yFract="0.196" xFract="0.578" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.119</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">H25B</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a61" z3="11.316648979548546" y3="1.8436276629322683" x3="3.6913488265501857" zFract="0.7494" yFract="0.0836" xFract="0.4898" elementType="H"><scalar dictRef="iucr:_atom_site_U_iso_or_equiv" dataType="xsd:double">0.119</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">H25C</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom></atomArray><metadataList><metadata dictRef="cif:processedDisorder"/></metadataList><bondArray><bond id="a2_a17" order="1" atomRefs2="a2 a17"/><bond id="a3_a14" order="1" atomRefs2="a3 a14"/><bond id="a3_a19" order="1" atomRefs2="a3 a19"/><bond id="a4_a19" order="2" atomRefs2="a4 a19"/><bond id="a5_a28" order="1" atomRefs2="a5 a28"/><bond id="a5_a33" order="1" atomRefs2="a5 a33"/><bond id="a6_a27" order="1" atomRefs2="a6 a27"/><bond id="a6_a58" order="1" atomRefs2="a6 a58"/><bond id="a7_a8" order="3" atomRefs2="a7 a8"/><bond id="a8_a9" order="1" atomRefs2="a8 a9"/><bond id="a9_a10" order="2" atomRefs2="a9 a10"/><bond id="a9_a17" order="1" atomRefs2="a9 a17"/><bond id="a10_a11" order="1" atomRefs2="a10 a11"/><bond id="a10_a12" order="1" atomRefs2="a10 a12"/><bond id="a12_a13" order="1" atomRefs2="a12 a13"/><bond id="a12_a14" order="2" atomRefs2="a12 a14"/><bond id="a14_a15" order="1" atomRefs2="a14 a15"/><bond id="a15_a16" order="1" atomRefs2="a15 a16"/><bond id="a15_a17" order="2" atomRefs2="a15 a17"/><bond id="a19_a20" order="1" atomRefs2="a19 a20"/><bond id="a20_a21" order="1" atomRefs2="a20 a21"/><bond id="a20_a22" order="2" atomRefs2="a20 a22"/><bond id="a22_a23" order="1" atomRefs2="a22 a23"/><bond id="a22_a24" order="1" atomRefs2="a22 a24"/><bond id="a24_a25" order="2" atomRefs2="a24 a25"/><bond id="a24_a31" order="1" atomRefs2="a24 a31"/><bond id="a25_a26" order="1" atomRefs2="a25 a26"/><bond id="a25_a27" order="1" atomRefs2="a25 a27"/><bond id="a27_a28" order="2" atomRefs2="a27 a28"/><bond id="a28_a29" order="1" atomRefs2="a28 a29"/><bond id="a29_a30" order="1" atomRefs2="a29 a30"/><bond id="a29_a31" order="2" atomRefs2="a29 a31"/><bond id="a31_a32" order="1" atomRefs2="a31 a32"/><bond id="a33_a34" order="1" atomRefs2="a33 a34"/><bond id="a33_a35" order="1" atomRefs2="a33 a35"/><bond id="a33_a36" order="1" atomRefs2="a33 a36"/><bond id="a36_a37" order="1" atomRefs2="a36 a37"/><bond id="a36_a38" order="1" atomRefs2="a36 a38"/><bond id="a36_a39" order="1" atomRefs2="a36 a39"/><bond id="a39_a40" order="1" atomRefs2="a39 a40"/><bond id="a39_a41" order="1" atomRefs2="a39 a41"/><bond id="a39_a42" order="1" atomRefs2="a39 a42"/><bond id="a42_a43" order="1" atomRefs2="a42 a43"/><bond id="a42_a44" order="1" atomRefs2="a42 a44"/><bond id="a42_a45" order="1" atomRefs2="a42 a45"/><bond id="a45_a46" order="1" atomRefs2="a45 a46"/><bond id="a45_a47" order="1" atomRefs2="a45 a47"/><bond id="a45_a48" order="1" atomRefs2="a45 a48"/><bond id="a48_a49" order="1" atomRefs2="a48 a49"/><bond id="a48_a50" order="1" atomRefs2="a48 a50"/><bond id="a48_a51" order="1" atomRefs2="a48 a51"/><bond id="a51_a52" order="1" atomRefs2="a51 a52"/><bond id="a51_a53" order="1" atomRefs2="a51 a53"/><bond id="a51_a54" order="1" atomRefs2="a51 a54"/><bond id="a54_a55" order="1" atomRefs2="a54 a55"/><bond id="a54_a56" order="1" atomRefs2="a54 a56"/><bond id="a54_a57" order="1" atomRefs2="a54 a57"/><bond id="a58_a59" order="1" atomRefs2="a58 a59"/><bond id="a58_a60" order="1" atomRefs2="a58 a60"/><bond id="a58_a61" order="1" atomRefs2="a58 a61"/></bondArray></molecule>
