<?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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<molecule id="acta_e_2007_03-00_bi2157sup1_I_sub1" xmlns="http://www.xml-cml.org/schema"><atomArray><atom id="a12" z3="9.046588067299954" y3="4.87811351602801" x3="10.43947952599193" zFract="0.3907" yFract="0.2635" xFract="0.904" elementType="H" x2="-2.515165371584932E-15" y2="-4.5"><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">H7</scalar><scalar dictRef="iucr:_atom_site_refinement_flags" dataType="xsd:string">R</scalar></atom><atom id="a14" z3="10.005135200019785" y3="9.233366037884224" x3="10.669286652725603" zFract="0.39408" yFract="0.59746" xFract="0.9239" elementType="C" x2="2.598076211353316" y2="-1.3322676295501878E-15"><scalar dictRef="iucr:_atom_site_u_iso_or_equiv" dataType="xsd:double">0.0637</scalar><scalar 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atomRefs2="a39 a5" userCyclic="CYCLIC" order="2"/><bond id="a43_a42" atomRefs2="a43 a42" userCyclic="ACYCLIC" order="1"/><bond id="a56_a53" atomRefs2="a56 a53" userCyclic="ACYCLIC" order="1"/><bond id="a53_a20" atomRefs2="a53 a20" userCyclic="ACYCLIC" order="1"/><bond id="a20_a33" atomRefs2="a20 a33" userCyclic="CYCLIC" order="2"/><bond id="a9_a10" atomRefs2="a9 a10" userCyclic="ACYCLIC" order="1"/><bond id="a11_a6" atomRefs2="a11 a6" userCyclic="CYCLIC" order="1"/><bond id="a2_a4" atomRefs2="a2 a4" userCyclic="CYCLIC" order="2"/><bond id="a4_a6" atomRefs2="a4 a6" userCyclic="CYCLIC" order="1"/><bond id="a26_a63" atomRefs2="a26 a63" userCyclic="ACYCLIC" order="1"/><bond id="a19_a17" atomRefs2="a19 a17" userCyclic="CYCLIC" order="2"/><bond id="a3_a26" atomRefs2="a3 a26" userCyclic="CYCLIC" order="2"/><bond id="a57_a48" atomRefs2="a57 a48" userCyclic="CYCLIC" order="2"/><bond id="a16_a27" atomRefs2="a16 a27" userCyclic="CYCLIC" order="2"/><bond id="a24_a50" atomRefs2="a24 a50" userCyclic="CYCLIC" order="2"/><bond id="a62_a61" atomRefs2="a62 a61" userCyclic="ACYCLIC" order="1"/><bond id="a61_a89" atomRefs2="a61 a89" userCyclic="CYCLIC" order="2"/><bond id="a95_a99" atomRefs2="a95 a99" userCyclic="CYCLIC" order="2"/><bond id="a27_a77" atomRefs2="a27 a77" userCyclic="ACYCLIC" order="1"/><bond id="a24_a16" atomRefs2="a24 a16" userCyclic="CYCLIC" order="1"/><bond id="a27_a95" atomRefs2="a27 a95" userCyclic="CYCLIC" order="1"/><bond id="a57_a26" atomRefs2="a57 a26" userCyclic="CYCLIC" order="1"/><bond id="a64_a63" atomRefs2="a64 a63" userCyclic="ACYCLIC" order="1"/><bond id="a24_a17" atomRefs2="a24 a17" userCyclic="CYCLIC" order="1"/><bond id="a77_a79" atomRefs2="a77 a79" userCyclic="ACYCLIC" order="1"/><bond id="a19_a61" atomRefs2="a19 a61" userCyclic="CYCLIC" order="1"/><bond id="a49_a48" atomRefs2="a49 a48" userCyclic="ACYCLIC" order="1"/><bond id="a57_a58" atomRefs2="a57 a58" userCyclic="ACYCLIC" order="1"/><bond id="a95_a96" atomRefs2="a95 a96" userCyclic="ACYCLIC" order="1"/><bond id="a19_a48" atomRefs2="a19 a48" userCyclic="CYCLIC" order="1"/><bond id="a50_a99" atomRefs2="a50 a99" userCyclic="CYCLIC" order="1"/><bond id="a80_a77" atomRefs2="a80 a77" userCyclic="ACYCLIC" order="1"/><bond id="a65_a63" atomRefs2="a65 a63" userCyclic="ACYCLIC" order="1"/><bond id="a3_a17" atomRefs2="a3 a17" userCyclic="CYCLIC" order="1"/><bond id="a99_a100" atomRefs2="a99 a100" userCyclic="ACYCLIC" order="1"/><bond id="a63_a66" atomRefs2="a63 a66" userCyclic="ACYCLIC" order="1"/><bond id="a50_a89" atomRefs2="a50 a89" userCyclic="CYCLIC" order="1"/><bond id="a89_a90" atomRefs2="a89 a90" userCyclic="ACYCLIC" order="1"/><bond id="a78_a77" atomRefs2="a78 a77" userCyclic="ACYCLIC" order="1"/><bond atomRefs2="a1 a5" id="a1_a5" order="1"/><bond atomRefs2="a1 a16" id="a1_a16" order="1"/><bond atomRefs2="a1 a2" id="a1_a2" order="1"/><bond atomRefs2="a1 a3" id="a1_a3" order="1"/></bondArray><identifier convention="daylight:smiles">[H]C2=C([H])C=1C([H])=C([H])C(=N4C=1C=3C2=C([H])C([H])=C(N=3[Cu]47(N=8C6=C(C([H])=C([H])C=5C([H])=C([H])C(=N7(C=56))C([H])([H])[H])C([H])=C([H])C=8C([H])([H])[H]))C([H])([H])[H])C([H])([H])[H]</identifier><identifier convention="iupac:inchi">InChI=1/2C14H12N2.Cu/c2*1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*3-8H,1-2H3;</identifier><formula formalCharge="0" concise="C 28 H 24 Cu 1 N 4"><atomArray elementType="C H Cu N" count="28.0 24.0 1.0 4.0"/></formula><scalar dictRef="idf:doi" dataType="xsd:string">10.1107/S1600536807007337</scalar></molecule>
