# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0UK' 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 -1.71200 -1.89900 -0.07300 1.000 C1 C -3.16100 -2.34100 0.18600 1.000 C2 C -3.92900 -1.00700 -0.03000 1.000 C3 C -2.89100 0.07200 0.14400 1.000 C4 C -3.17400 1.44900 0.27900 1.000 C5 C -2.18100 2.37600 0.34900 1.000 C6 C -2.33500 3.87700 0.45500 1.000 C7 C -0.87300 4.37400 0.55300 1.000 C8 C -0.05900 3.10100 0.42200 1.000 C9 C 1.34100 3.09900 0.39300 1.000 C10 C 2.10800 2.01000 0.20500 1.000 C11 C 3.62400 2.06800 0.16500 1.000 C12 C 4.05500 0.68000 -0.35400 1.000 C13 C 2.80200 -0.18300 -0.23700 1.000 C14 C 2.85500 -1.31700 0.75600 1.000 C15 C 1.56700 -2.11800 0.64500 1.000 C16 C 1.43900 -3.52900 0.15100 1.000 C17 C -0.07000 -3.86000 0.26400 1.000 C18 C -0.67500 -2.55800 0.80200 1.000 C19 C -1.39200 -2.08500 -1.56800 1.000 N20 N -1.70100 -0.43300 0.15300 1.000 N21 N -0.87200 2.08600 0.33400 1.000 N22 N 1.68200 0.73100 0.03900 1.000 N23 N 0.45200 -1.62600 0.99100 1.000 C24 C -3.61600 -3.37800 -0.84900 1.000 C25 C -3.42600 -2.85300 1.60000 1.000 C26 C -4.90000 -3.11400 1.77100 1.000 O27 O -5.35100 -3.71300 2.88500 1.000 O28 O -5.67700 -2.78400 0.90700 1.000 C29 C -4.55200 -0.98000 -1.42300 1.000 C30 C -5.38300 0.29500 -1.58600 1.000 C31 C -6.10100 0.26200 -2.91000 1.000 O32 O -6.89400 1.28300 -3.26900 1.000 O33 O -5.96400 -0.68500 -3.64800 1.000 C34 C -4.62700 1.85900 0.35000 1.000 C35 C -3.00000 4.47600 -0.78900 1.000 C36 C -3.09200 4.28900 1.72300 1.000 C37 C -2.38900 3.72800 2.93200 1.000 O38 O -1.46300 2.96400 2.79300 1.000 O39 O -2.79100 4.07700 4.16500 1.000 C40 C -0.55300 5.33200 -0.59800 1.000 C41 C 0.81200 5.98100 -0.35600 1.000 C42 C 1.09300 6.98100 -1.44800 1.000 O43 O 0.28500 7.15600 -2.33000 1.000 O44 O 2.24100 7.67700 -1.44200 1.000 C45 C 4.18800 2.33400 1.56000 1.000 C46 C 4.09400 3.15400 -0.80800 1.000 C47 C 5.28200 0.16200 0.37600 1.000 C48 C 6.50400 0.98900 -0.02900 1.000 C49 C 7.73400 0.42700 0.63800 1.000 O50 O 7.64200 -0.53600 1.36200 1.000 O51 O 8.93100 0.99700 0.42700 1.000 C52 C 2.26400 -4.48800 1.01000 1.000 C53 C 1.87900 -3.62900 -1.31300 1.000 C54 C 3.38400 -3.37000 -1.41100 1.000 C55 C 3.84400 -3.61300 -2.82600 1.000 O56 O 5.13600 -3.44600 -3.14900 1.000 O57 O 3.04900 -3.95700 -3.66900 1.000 C58 C -0.28300 -4.99400 1.28200 1.000 C59 C 0.21200 -6.29200 0.69900 1.000 O60 O 0.28400 -7.38900 1.46900 1.000 O61 O 0.54300 -6.34600 -0.46200 1.000 C62 C 2.91000 -0.79600 2.19700 1.000 H63 H -4.70500 -0.91800 0.73500 1.000 H64 H -0.70100 4.86000 1.51300 1.000 H65 H 1.83900 4.06400 0.51100 1.000 H66 H 4.31000 0.78900 -1.42800 1.000 H67 H 2.61000 -0.60700 -1.24800 1.000 H68 H 3.69400 -1.97400 0.55900 1.000 H69 H -0.45900 -4.17400 -0.70000 1.000 H70 H -1.05800 -2.74200 1.81900 1.000 H71 H -2.07400 -1.47800 -2.16400 1.000 H72 H -0.36500 -1.77400 -1.76200 1.000 H73 H -1.51000 -3.13400 -1.83800 1.000 H74 H 0.75600 0.45200 0.09300 1.000 H75 H -2.93900 -4.23200 -0.82900 1.000 H76 H -4.62700 -3.70900 -0.61100 1.000 H77 H -3.60500 -2.92900 -1.84200 1.000 H78 H -2.87200 -3.77800 1.76100 1.000 H79 H -3.10200 -2.10500 2.32400 1.000 H80 H -6.30400 -3.85900 2.95000 1.000 H81 H -3.76300 -0.99800 -2.17500 1.000 H82 H -5.19500 -1.85000 -1.55100 1.000 H83 H -6.11200 0.36000 -0.77800 1.000 H84 H -4.72500 1.16400 -1.55100 1.000 H85 H -7.33400 1.21700 -4.12800 1.000 H86 H -5.25400 0.96800 0.39300 1.000 H87 H -4.79100 2.46200 1.24400 1.000 H88 H -4.88500 2.44200 -0.53400 1.000 H89 H -4.02700 4.11800 -0.86000 1.000 H90 H -2.99900 5.56300 -0.71300 1.000 H91 H -2.44700 4.17300 -1.67800 1.000 H92 H -3.12100 5.37600 1.79200 1.000 H93 H -4.10900 3.90000 1.68200 1.000 H94 H -2.30900 3.69200 4.90900 1.000 H95 H -0.53000 4.77800 -1.53700 1.000 H96 H -1.31900 6.10500 -0.65100 1.000 H97 H 0.80600 6.48900 0.60900 1.000 H98 H 1.58500 5.21300 -0.35800 1.000 H99 H 2.37600 8.30700 -2.16300 1.000 H100 H 3.94900 1.49500 2.21400 1.000 H101 H 5.27000 2.45000 1.49800 1.000 H102 H 3.74700 3.24600 1.96300 1.000 H103 H 3.73300 4.12500 -0.47000 1.000 H104 H 5.18400 3.16400 -0.84200 1.000 H105 H 3.70100 2.94500 -1.80300 1.000 H106 H 5.12700 0.24400 1.45200 1.000 H107 H 5.44700 -0.88300 0.11200 1.000 H108 H 6.62700 0.95000 -1.11100 1.000 H109 H 6.36200 2.02300 0.28400 1.000 H110 H 9.69000 0.60200 0.87600 1.000 H111 H 1.85600 -4.51400 2.02000 1.000 H112 H 2.22600 -5.48800 0.57700 1.000 H113 H 3.29900 -4.14600 1.04500 1.000 H114 H 1.65600 -4.62700 -1.69200 1.000 H115 H 1.34300 -2.88700 -1.90500 1.000 H116 H 3.59400 -2.33800 -1.13300 1.000 H117 H 3.91300 -4.04300 -0.73700 1.000 H118 H 5.38300 -3.61300 -4.06900 1.000 H119 H 0.27000 -4.77100 2.19500 1.000 H120 H -1.34500 -5.08000 1.51300 1.000 H121 H 0.60800 -8.19900 1.05100 1.000 H122 H 2.00500 -0.22800 2.41300 1.000 H123 H 2.98400 -1.63800 2.88600 1.000 H124 H 3.78100 -0.15100 2.31700 1.000