# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'BPH' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -3.36200 2.75500 -2.88500 1.000 C1 C -2.98100 3.47400 -1.99200 1.000 O2 O -2.23000 4.55100 -2.27300 1.000 C3 C -1.91600 4.79000 -3.67000 1.000 C4 C -3.35300 3.16600 -0.56400 1.000 C5 C -4.19800 1.92100 -0.50200 1.000 C6 C -5.44200 2.25800 0.04000 1.000 C7 C -5.50100 3.63200 0.34800 1.000 C8 C -4.22500 4.26700 0.00100 1.000 O9 O -3.92900 5.43600 0.13800 1.000 C10 C -6.77200 3.88500 0.87600 1.000 C11 C -7.29000 5.22000 1.34800 1.000 C12 C -7.47200 2.68100 0.88700 1.000 N13 N -6.65300 1.69400 0.38000 1.000 C14 C -8.78500 2.49100 1.33100 1.000 C15 C -9.36500 1.23700 1.29100 1.000 C16 C -10.78100 0.95000 1.74800 1.000 C17 C -10.94500 1.26600 3.23600 1.000 C18 C -12.40600 1.06900 3.64100 1.000 C19 C -10.93100 -0.56000 1.49300 1.000 C20 C -12.03500 -0.83000 0.46800 1.000 C21 C -9.56800 -0.95300 0.93200 1.000 N22 N -8.81000 0.11700 0.86900 1.000 C23 C -9.27400 -2.25300 0.58500 1.000 C24 C -8.08400 -2.73400 0.06000 1.000 C25 C -7.89900 -4.11600 -0.24600 1.000 C26 C -8.87900 -5.18700 -0.05100 1.000 C27 C -9.77400 -5.60600 -1.19000 1.000 O28 O -8.97100 -5.73700 1.02600 1.000 C29 C -6.61600 -4.25600 -0.76200 1.000 C30 C -5.98000 -5.54100 -1.22800 1.000 C31 C -6.02200 -2.99000 -0.77200 1.000 N32 N -6.92400 -2.08300 -0.26400 1.000 C33 C -4.72200 -2.77200 -1.24400 1.000 C34 C -4.11000 -1.54000 -1.24300 1.000 C35 C -2.70400 -1.27900 -1.75300 1.000 C36 C -2.60200 -1.59600 -3.24600 1.000 C37 C -2.51800 0.23200 -1.50200 1.000 C38 C -3.84200 0.64500 -0.90200 1.000 N39 N -4.62900 -0.40900 -0.81100 1.000 C40 C -1.37600 0.48000 -0.51400 1.000 C41 C -0.05600 0.01800 -1.13300 1.000 C42 C 1.05300 0.17200 -0.12500 1.000 O43 O 0.81300 0.60800 0.97600 1.000 O44 O 2.30900 -0.17400 -0.45000 1.000 C45 C 3.32600 0.00200 0.57100 1.000 C46 C 4.66300 -0.43600 0.02900 1.000 C47 C 5.43800 -1.21100 0.74600 1.000 C48 C 5.05500 -1.55900 2.16100 1.000 C49 C 6.71500 -1.75300 0.15600 1.000 C50 C 7.88200 -0.84200 0.54100 1.000 C51 C 9.17800 -1.39300 -0.05800 1.000 C52 C 10.34500 -0.48200 0.32700 1.000 C53 C 10.15400 0.89200 -0.31700 1.000 C54 C 11.65600 -1.09800 -0.16500 1.000 C55 C 12.83300 -0.25300 0.32700 1.000 C56 C 14.14400 -0.86900 -0.16500 1.000 C57 C 15.32100 -0.02400 0.32700 1.000 C58 C 15.25800 1.36200 -0.31700 1.000 C59 C 16.63500 -0.70600 -0.05800 1.000 C60 C 17.80900 0.07200 0.54000 1.000 C61 C 19.12300 -0.61000 0.15500 1.000 C62 C 20.29600 0.16900 0.75400 1.000 C63 C 20.23300 0.09200 2.28000 1.000 C64 C 21.61300 -0.44000 0.26700 1.000 H65 H -1.30600 5.68900 -3.75700 1.000 H66 H -1.36600 3.93800 -4.06900 1.000 H67 H -2.84000 4.92200 -4.23300 1.000 H68 H -2.45500 3.04500 0.04200 1.000 H69 H -7.76800 5.73800 0.51700 1.000 H70 H -8.01600 5.06600 2.14700 1.000 H71 H -6.46000 5.82000 1.72100 1.000 H72 H -6.88900 0.75800 0.28000 1.000 H73 H -9.35500 3.32900 1.71000 1.000 H74 H -11.50000 1.51400 1.15300 1.000 H75 H -10.31200 0.59900 3.82100 1.000 H76 H -10.65200 2.30000 3.42100 1.000 H77 H -13.04700 1.66800 2.99400 1.000 H78 H -12.67200 0.01700 3.54300 1.000 H79 H -12.54200 1.38300 4.67700 1.000 H80 H -11.13200 -1.09000 2.42400 1.000 H81 H -11.78600 -0.33700 -0.47200 1.000 H82 H -12.12300 -1.90400 0.30300 1.000 H83 H -12.98100 -0.44100 0.84400 1.000 H84 H -10.07600 -2.99000 0.74300 1.000 H85 H -9.25400 -6.33700 -1.81000 1.000 H86 H -10.68500 -6.05100 -0.79100 1.000 H87 H -10.02800 -4.73400 -1.79200 1.000 H88 H -6.19000 -5.68700 -2.28700 1.000 H89 H -4.90200 -5.48900 -1.07500 1.000 H90 H -6.38800 -6.37600 -0.65800 1.000 H91 H -6.76300 -1.13300 -0.15400 1.000 H92 H -4.16800 -3.62600 -1.63300 1.000 H93 H -1.97400 -1.85700 -1.18600 1.000 H94 H -3.31700 -0.98600 -3.79700 1.000 H95 H -1.59300 -1.37800 -3.59600 1.000 H96 H -2.82200 -2.65100 -3.40900 1.000 H97 H -2.33700 0.76000 -2.43900 1.000 H98 H -1.31700 1.54500 -0.28600 1.000 H99 H -1.56200 -0.07800 0.40400 1.000 H100 H -0.13900 -1.02900 -1.42500 1.000 H101 H 0.16500 0.62300 -2.01200 1.000 H102 H 3.37700 1.05300 0.85600 1.000 H103 H 3.07300 -0.60000 1.44400 1.000 H104 H 4.98100 -0.11200 -0.95100 1.000 H105 H 4.38000 -2.41500 2.15400 1.000 H106 H 5.95100 -1.80700 2.73000 1.000 H107 H 4.55600 -0.70700 2.62200 1.000 H108 H 6.89500 -2.75700 0.54100 1.000 H109 H 6.62600 -1.79100 -0.93000 1.000 H110 H 7.70200 0.16200 0.15600 1.000 H111 H 7.97100 -0.80500 1.62700 1.000 H112 H 9.35800 -2.39700 0.32700 1.000 H113 H 9.08900 -1.43100 -1.14300 1.000 H114 H 10.37900 -0.37400 1.41100 1.000 H115 H 10.12000 0.78400 -1.40100 1.000 H116 H 9.22000 1.33100 0.03400 1.000 H117 H 10.98600 1.54100 -0.04200 1.000 H118 H 11.75000 -2.11200 0.22400 1.000 H119 H 11.65900 -1.12500 -1.25500 1.000 H120 H 12.74000 0.76100 -0.06100 1.000 H121 H 12.83100 -0.22600 1.41700 1.000 H122 H 14.23800 -1.88300 0.22300 1.000 H123 H 14.14700 -0.89600 -1.25500 1.000 H124 H 15.26800 0.07700 1.41100 1.000 H125 H 15.31100 1.26200 -1.40100 1.000 H126 H 14.32200 1.84900 -0.04300 1.000 H127 H 16.09600 1.96500 0.03300 1.000 H128 H 16.64200 -1.72600 0.32600 1.000 H129 H 16.72900 -0.72700 -1.14400 1.000 H130 H 17.80200 1.09200 0.15600 1.000 H131 H 17.71500 0.09300 1.62600 1.000 H132 H 19.12900 -1.63000 0.54000 1.000 H133 H 19.21700 -0.63000 -0.93100 1.000 H134 H 20.23900 1.21100 0.43900 1.000 H135 H 19.29500 0.52500 2.62700 1.000 H136 H 20.29000 -0.95000 2.59500 1.000 H137 H 21.06900 0.64600 2.70700 1.000 H138 H 21.65800 -0.38500 -0.82100 1.000 H139 H 22.44900 0.11500 0.69300 1.000 H140 H 21.67000 -1.48200 0.58100 1.000