# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BI' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.53100 -0.24600 0.49800 1.000 C1 C 0.07100 -0.50600 0.49800 1.000 C2 C -0.25200 -1.60100 1.51300 1.000 C3 C -0.04000 -2.95300 0.88400 1.000 C4 C 1.24700 -3.38800 0.62500 1.000 C5 C 1.45200 -4.63200 0.04400 1.000 C6 C 0.36600 -5.43300 -0.27500 1.000 C7 C -0.91800 -5.00000 -0.00500 1.000 C8 C -1.11800 -3.75800 0.57100 1.000 O9 O 2.71700 -5.06500 -0.19700 1.000 C10 C 3.52700 -4.26200 -1.05800 1.000 C11 C 4.75400 -3.76200 -0.29200 1.000 C12 C 5.24900 -2.45700 -0.91900 1.000 C13 C 6.13400 -1.71700 0.08300 1.000 N14 N 6.53800 -0.41600 -0.49400 1.000 C15 C 5.56300 0.60200 -0.48500 1.000 C16 C 4.25100 0.31500 -0.15600 1.000 C17 C 3.29100 1.32900 -0.17400 1.000 C18 C 3.67700 2.63700 -0.48700 1.000 C19 C 4.99300 2.91600 -0.79100 1.000 C20 C 5.93600 1.90400 -0.79700 1.000 C21 C 5.40500 4.32800 -1.11900 1.000 O22 O 5.78800 5.00200 0.08100 1.000 C23 C 6.19900 6.35600 -0.11900 1.000 C24 C 1.87500 1.02300 0.11500 1.000 O25 O 1.02500 1.88700 0.01300 1.000 C26 C -0.67500 0.77500 0.87500 1.000 O27 O -0.09300 1.33600 2.05400 1.000 C28 C -2.14700 0.45000 1.13800 1.000 N29 N -2.89400 1.69700 1.35000 1.000 C30 C -4.33300 1.43300 1.48200 1.000 C31 C -4.79300 0.61100 2.68700 1.000 C32 C -5.07400 2.11400 2.63400 1.000 C33 C -5.08100 1.24700 0.18600 1.000 C34 C -6.41300 0.88000 0.20500 1.000 C35 C -7.09900 0.70900 -0.98400 1.000 C36 C -6.45200 0.90500 -2.18900 1.000 C37 C -5.12000 1.27200 -2.20700 1.000 C38 C -4.43500 1.44700 -1.02000 1.000 C39 C -8.55200 0.30900 -0.96400 1.000 C40 C -9.38700 1.38500 -1.66000 1.000 C41 C -8.72400 -1.02300 -1.69700 1.000 H42 H 2.18500 -0.91500 0.75100 1.000 H43 H -0.24000 -0.82800 -0.49500 1.000 H44 H 0.40200 -1.49700 2.37900 1.000 H45 H -1.29100 -1.50700 1.82900 1.000 H46 H 2.09000 -2.76100 0.87400 1.000 H47 H 0.52400 -6.39600 -0.73700 1.000 H48 H -1.76300 -5.63000 -0.24200 1.000 H49 H -2.12100 -3.41600 0.77500 1.000 H50 H 3.85000 -4.85700 -1.91200 1.000 H51 H 2.94700 -3.40900 -1.40900 1.000 H52 H 4.48500 -3.58600 0.74900 1.000 H53 H 5.54300 -4.51200 -0.34200 1.000 H54 H 5.82600 -2.68100 -1.81700 1.000 H55 H 4.39600 -1.83200 -1.18100 1.000 H56 H 5.57800 -1.54900 1.00500 1.000 H57 H 7.02200 -2.31300 0.29400 1.000 H58 H 7.42500 -0.27100 -0.85900 1.000 H59 H 3.97000 -0.69300 0.11400 1.000 H60 H 2.94300 3.42900 -0.49100 1.000 H61 H 6.96300 2.12600 -1.04500 1.000 H62 H 6.24800 4.30900 -1.81000 1.000 H63 H 4.56800 4.85300 -1.57900 1.000 H64 H 7.05800 6.38000 -0.78900 1.000 H65 H 5.37900 6.92400 -0.55900 1.000 H66 H 6.47400 6.79800 0.83900 1.000 H67 H -0.60200 1.49300 0.05800 1.000 H68 H -0.12300 0.75100 2.82400 1.000 H69 H -2.56000 -0.08000 0.28000 1.000 H70 H -2.22700 -0.17700 2.02600 1.000 H71 H -2.54300 2.19700 2.15300 1.000 H72 H -5.63600 -0.06400 2.54400 1.000 H73 H -4.02700 0.26600 3.38300 1.000 H74 H -4.49300 2.75800 3.29400 1.000 H75 H -6.10200 2.42800 2.45500 1.000 H76 H -6.91800 0.72700 1.14700 1.000 H77 H -6.98800 0.77100 -3.11800 1.000 H78 H -4.61400 1.42500 -3.15000 1.000 H79 H -3.39500 1.73800 -1.03400 1.000 H80 H -8.88500 0.20100 0.06800 1.000 H81 H -9.05400 1.49300 -2.69300 1.000 H82 H -10.43800 1.09600 -1.64600 1.000 H83 H -9.26400 2.33400 -1.13800 1.000 H84 H -8.12900 -1.79000 -1.20100 1.000 H85 H -9.77400 -1.31300 -1.68300 1.000 H86 H -8.39000 -0.91600 -2.72900 1.000