# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0O6' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 16.49300 2.36200 -0.62800 1.000 N1 N 18.13700 1.27800 -2.05100 1.000 O2 O 17.03600 1.76900 0.28000 1.000 C3 C 16.99100 2.19700 -2.04000 1.000 C4 C 15.87100 1.62500 -2.91200 1.000 C5 C 15.37200 0.31200 -2.30600 1.000 C6 C -15.23100 0.34600 2.31300 1.000 C7 C 18.96100 1.47900 -3.25100 1.000 C8 C -18.91200 1.56200 3.30200 1.000 O9 O -17.01400 1.75000 -0.20900 1.000 O10 O 12.47600 0.19800 -0.27100 1.000 O11 O -12.49500 0.20000 0.24500 1.000 O12 O 14.46600 1.14200 1.67100 1.000 O13 O -14.48000 1.14400 -1.71200 1.000 O14 O 14.87700 6.98100 1.81400 1.000 O15 O -14.92700 6.96600 -1.84800 1.000 C16 C 13.90800 -4.79400 0.88900 1.000 C17 C -13.92200 -4.79600 -0.90500 1.000 C18 C 13.69900 -4.46200 -0.43600 1.000 C19 C 13.13500 -4.21300 1.87700 1.000 C20 C -13.71700 -4.46000 0.42100 1.000 C21 C -13.14600 -4.21700 -1.89200 1.000 C22 C 12.71800 -3.54800 -0.77400 1.000 C23 C 12.15900 -3.29400 1.54000 1.000 C24 C -12.73800 -3.54500 0.75800 1.000 C25 C -12.17100 -3.29700 -1.55500 1.000 C26 C 0.63700 -1.98200 -0.23000 1.000 C27 C -0.65600 -1.98200 0.25900 1.000 C28 C 0.63800 -4.37600 -0.22800 1.000 C29 C -0.65700 -4.37600 0.25500 1.000 C30 C 8.43600 -2.27500 0.54500 1.000 C31 C -8.45200 -2.27400 -0.55100 1.000 C32 C -15.75400 1.63500 2.95000 1.000 C33 C 3.68300 -3.17800 0.15000 1.000 C34 C -3.70000 -3.17600 -0.13500 1.000 C35 C 5.11200 -3.17800 -0.39700 1.000 C36 C -5.13100 -3.17600 0.40600 1.000 C37 C 15.45700 5.71600 1.48800 1.000 C38 C -15.49300 5.70000 -1.50300 1.000 C39 C 2.69100 -3.17900 -1.01500 1.000 C40 C -2.71300 -3.17900 1.03400 1.000 C41 C 13.57900 5.13500 -0.05500 1.000 C42 C -13.58800 5.14400 0.01600 1.000 C43 C 12.51000 4.11200 -0.42600 1.000 C44 C -12.51700 4.12300 0.38600 1.000 C45 C 10.48900 3.02300 0.57200 1.000 C46 C -10.50900 3.00800 -0.58800 1.000 C47 C 10.33000 1.97100 1.69200 1.000 C48 C -10.34200 1.96900 -1.71700 1.000 C49 C 6.10400 -3.17600 0.76800 1.000 C50 C -6.11800 -3.17400 -0.76300 1.000 N51 N 9.19000 -3.74600 -0.84000 1.000 N52 N -9.21000 -3.74000 0.83700 1.000 N53 N 7.96300 -4.03100 -0.58400 1.000 N54 N -7.98300 -4.02900 0.58000 1.000 N55 N -18.04100 1.26400 2.15700 1.000 N56 N 10.87200 -0.87700 0.82200 1.000 N57 N -10.88800 -0.87700 -0.84000 1.000 N58 N 15.44100 3.16500 -0.37300 1.000 N59 N -15.40800 3.15900 0.38900 1.000 C60 C -16.44700 2.35000 0.67900 1.000 C61 C 11.71400 0.16500 0.67200 1.000 C62 C -11.73000 0.16500 -0.69500 1.000 C63 C 13.99800 2.21200 1.32800 1.000 C64 C -14.01200 2.20900 -1.35400 1.000 C65 C 1.28300 -3.17900 -0.47600 1.000 C66 C -1.30300 -3.17900 0.50100 1.000 C67 C 11.94600 -2.96600 0.21400 1.000 C68 C -11.96300 -2.96500 -0.22900 1.000 C69 C 9.53300 -2.65100 -0.15200 1.000 C70 C -9.55100 -2.64800 0.14400 1.000 C71 C 14.34200 4.70300 1.19700 1.000 C72 C -14.36600 4.69700 -1.22100 1.000 C73 C -16.90300 2.19200 2.10600 1.000 C74 C 11.91700 3.52600 0.85400 1.000 C75 C -11.92700 3.52300 -0.89000 1.000 C76 C 11.70800 1.28900 1.67500 1.000 C77 C -11.72200 1.28500 -1.70200 1.000 C78 C 10.87700 -1.97000 -0.15400 1.000 C79 C -10.89600 -1.96700 0.13900 1.000 C80 C 14.95400 3.32100 0.99700 1.000 C81 C -14.96600 3.31300 -0.99700 1.000 N82 N 12.66100 2.33700 1.28100 1.000 N83 N -12.67600 2.33700 -1.31000 1.000 N84 N 7.47200 -3.17600 0.24400 1.000 N85 N -7.48800 -3.17400 -0.24500 1.000 H86 H 17.83300 0.31900 -1.97800 1.000 H87 H 17.29800 3.16600 -2.43300 1.000 H88 H 15.04800 2.33900 -2.96100 1.000 H89 H 16.25100 1.44000 -3.91700 1.000 H90 H 14.51500 -0.04900 -2.87500 1.000 H91 H 16.17000 -0.43000 -2.34000 1.000 H92 H 15.07600 0.48000 -1.27000 1.000 H93 H -14.79900 0.57100 1.33800 1.000 H94 H -14.46900 -0.09400 2.95600 1.000 H95 H -16.05400 -0.35900 2.19200 1.000 H96 H 18.33800 1.38000 -4.14000 1.000 H97 H 19.40300 2.47500 -3.22600 1.000 H98 H 19.75300 0.73000 -3.27700 1.000 H99 H -19.36200 2.54500 3.16900 1.000 H100 H -19.69700 0.80800 3.36600 1.000 H101 H -18.32200 1.55200 4.21900 1.000 H102 H 15.52500 7.67200 2.01000 1.000 H103 H -15.58300 7.65100 -2.04000 1.000 H104 H 14.67200 -5.51000 1.15300 1.000 H105 H -14.68500 -5.51300 -1.16800 1.000 H106 H 14.30300 -4.91600 -1.20800 1.000 H107 H 13.29500 -4.47500 2.91300 1.000 H108 H -14.32300 -4.91200 1.19200 1.000 H109 H -13.30300 -4.48300 -2.92700 1.000 H110 H 12.55600 -3.28900 -1.80900 1.000 H111 H 11.55500 -2.83900 2.31200 1.000 H112 H -12.57800 -3.28200 1.79400 1.000 H113 H -11.56600 -2.84500 -2.32600 1.000 H114 H 1.14200 -1.04700 -0.42300 1.000 H115 H -1.16000 -1.04700 0.45100 1.000 H116 H 1.14300 -5.31200 -0.42100 1.000 H117 H -1.16400 -5.31200 0.44000 1.000 H118 H 8.34800 -1.42900 1.21000 1.000 H119 H -8.36300 -1.43000 -1.21900 1.000 H120 H -16.11200 1.42400 3.95700 1.000 H121 H -14.94900 2.36900 2.99700 1.000 H122 H 3.52700 -4.06700 0.76100 1.000 H123 H 3.52700 -2.28700 0.75900 1.000 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