# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'BPB' 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 -3.31200 -0.23200 -0.63500 1.000 C1 C -4.65700 -0.63100 -0.08300 1.000 C2 C -5.45500 -1.39300 -0.78900 1.000 C3 C -5.08700 -1.76400 -2.20200 1.000 C4 C -6.74100 -1.89800 -0.18800 1.000 C5 C -7.88800 -0.96200 -0.57700 1.000 C6 C -9.19400 -1.47400 0.03300 1.000 C7 C -10.34000 -0.53900 -0.35600 1.000 C8 C -10.11200 0.83700 0.27400 1.000 N9 N 4.68800 -0.50100 0.78200 1.000 N10 N 7.06500 -2.03400 0.15300 1.000 N11 N 8.75400 0.28000 -1.02800 1.000 N12 N 6.56200 1.74300 -0.38800 1.000 C13 C -11.66400 -1.11700 0.14800 1.000 C14 C -12.82100 -0.24800 -0.34700 1.000 C15 C -14.14500 -0.82600 0.15700 1.000 C16 C -15.30300 0.04400 -0.33800 1.000 C17 C -15.20300 1.43400 0.29300 1.000 C18 C -16.63200 -0.60200 0.06000 1.000 C19 C -17.78800 0.20000 -0.54100 1.000 C20 C -19.11700 -0.44600 -0.14300 1.000 C21 C -20.27400 0.35600 -0.74400 1.000 C22 C -20.21900 0.26300 -2.27000 1.000 C23 C 3.83700 0.49900 0.90300 1.000 O24 O -0.78800 0.32200 -1.05100 1.000 C25 C 6.25100 -2.99000 0.72000 1.000 C26 C 9.55800 -0.74500 -1.17600 1.000 C27 C 7.31300 2.78800 -0.88700 1.000 O28 O 3.18500 2.39400 2.98800 1.000 C29 C -21.60300 -0.21500 -0.24500 1.000 C30 C 2.52800 -0.02000 1.45000 1.000 O31 O -2.30100 -0.38700 0.39600 1.000 C32 C 6.96500 -4.19000 0.79200 1.000 C33 C 10.82100 -0.26300 -1.87900 1.000 C34 C 6.57100 3.96200 -0.76600 1.000 O35 O 2.06500 4.23900 2.51300 1.000 C36 C 2.79600 -1.53000 1.62700 1.000 C37 C 8.22400 -3.96600 0.24500 1.000 C38 C 10.57700 1.22000 -2.06600 1.000 C39 C 5.33500 3.62800 -0.19900 1.000 C40 C 4.23500 -1.67800 1.16200 1.000 C41 C 8.26800 -2.60200 -0.17100 1.000 C42 C 9.23400 1.43400 -1.48000 1.000 C43 C 5.34100 2.23500 0.02100 1.000 C44 C 1.39300 0.21500 0.45100 1.000 C45 C 9.30400 -4.94800 0.12100 1.000 C46 C 11.38000 2.12000 -2.62300 1.000 C47 C 4.05600 4.18800 0.24700 1.000 C48 C 0.06400 -0.20600 1.08200 1.000 C49 C 9.47100 -5.72500 -1.16000 1.000 O50 O 10.06400 -5.13500 1.04800 1.000 C51 C 12.72200 1.69900 -3.16500 1.000 C52 C 3.22600 3.01100 0.71400 1.000 O53 O 3.72900 5.35700 0.24300 1.000 C54 C 1.71600 4.35000 3.91800 1.000 C55 C -1.03900 -0.07100 0.06400 1.000 C56 C 2.82400 3.19200 2.15500 1.000 C57 C 4.12700 1.81200 0.56900 1.000 C58 C 4.93000 -2.86500 1.16300 1.000 C59 C 9.38400 -2.05600 -0.78800 1.000 C60 C 8.59400 2.67500 -1.42500 1.000 C61 C 2.65700 -1.93700 3.09500 1.000 C62 C 6.46100 -5.49200 1.36000 1.000 C63 C 12.05200 -0.50100 -1.00200 1.000 C64 C 7.01800 5.34300 -1.17200 1.000 H65 H -3.06500 -0.86800 -1.48400 1.000 H66 H -3.34600 0.80800 -0.95700 1.000 H67 H -4.96200 -0.28900 0.89500 1.000 H68 H -4.43200 -2.63600 -2.19000 1.000 H69 H -5.99100 -1.99600 -2.76400 1.000 H70 H -4.57000 -0.92800 -2.67500 1.000 H71 H -6.94800 -2.90000 -0.56200 1.000 H72 H -6.64800 -1.92700 0.89700 1.000 H73 H -7.68100 0.04100 -0.20300 1.000 H74 H -7.98100 -0.93300 -1.66300 1.000 H75 H -9.40100 -2.47700 -0.34100 1.000 H76 H -9.10100 -1.50400 1.11900 1.000 H77 H -10.37600 -0.44000 -1.44100 1.000 H78 H -9.16800 1.24900 -0.08500 1.000 H79 H -10.92800 1.50300 -0.00300 1.000 H80 H -10.07500 0.73800 1.35900 1.000 H81 H 6.82400 -1.10600 0.00700 1.000 H82 H 6.84500 0.81700 -0.33500 1.000 H83 H -11.78400 -2.13200 -0.23000 1.000 H84 H -11.66200 -1.13300 1.23800 1.000 H85 H -12.70100 0.76800 0.03200 1.000 H86 H -12.82400 -0.23100 -1.43700 1.000 H87 H -14.26600 -1.84100 -0.22100 1.000 H88 H -14.14300 -0.84200 1.24700 1.000 H89 H -15.25300 0.13200 -1.42300 1.000 H90 H -16.02700 2.05300 -0.06000 1.000 H91 H -15.25300 1.34500 1.37800 1.000 H92 H -14.25600 1.89400 0.00900 1.000 H93 H -16.66600 -1.62500 -0.31500 1.000 H94 H -16.72100 -0.61000 1.14600 1.000 H95 H -17.75500 1.22300 -0.16600 1.000 H96 H -17.69900 0.20700 -1.62700 1.000 H97 H -19.15100 -1.46900 -0.51800 1.000 H98 H -19.20600 -0.45400 0.94300 1.000 H99 H -20.18900 1.39900 -0.44000 1.000 H100 H -19.27200 0.66900 -2.62500 1.000 H101 H -20.30400 -0.78000 -2.57400 1.000 H102 H -21.04300 0.83400 -2.69800 1.000 H103 H -21.64100 -0.14900 0.84200 1.000 H104 H -22.42700 0.35600 -0.67300 1.000 H105 H -21.68700 -1.25800 -0.54900 1.000 H106 H 2.29900 0.44600 2.40900 1.000 H107 H 10.93700 -0.75800 -2.84400 1.000 H108 H 2.12600 -2.11700 0.99900 1.000 H109 H 1.35200 1.27200 0.19000 1.000 H110 H 1.57200 -0.37500 -0.44700 1.000 H111 H 11.07100 3.15300 -2.68800 1.000 H112 H 0.13000 -1.24300 1.41100 1.000 H113 H -0.15100 0.43400 1.93800 1.000 H114 H 8.76000 -5.36200 -1.90100 1.000 H115 H 10.48600 -5.59400 -1.53500 1.000 H116 H 9.28900 -6.78300 -0.96900 1.000 H117 H 13.23400 2.56700 -3.58100 1.000 H118 H 13.32100 1.27400 -2.36100 1.000 H119 H 12.58000 0.95200 -3.94700 1.000 H120 H 2.34200 2.89800 0.08600 1.000 H121 H 2.62600 4.43100 4.51300 1.000 H122 H 1.10200 5.23800 4.07100 1.000 H123 H 1.15800 3.46500 4.22500 1.000 H124 H 4.42500 -3.76000 1.52900 1.000 H125 H 10.21800 -2.74300 -0.99200 1.000 H126 H 9.10100 3.55100 -1.80600 1.000 H127 H 1.64600 -1.71600 3.43900 1.000 H128 H 2.85000 -3.00500 3.19600 1.000 H129 H 3.37500 -1.37900 3.69700 1.000 H130 H 5.98400 -6.07300 0.57000 1.000 H131 H 7.29700 -6.05600 1.77300 1.000 H132 H 5.73600 -5.28800 2.14800 1.000 H133 H 12.16400 -1.56900 -0.81500 1.000 H134 H 12.94000 -0.12700 -1.51100 1.000 H135 H 11.92900 0.02300 -0.05400 1.000 H136 H 8.02600 5.29200 -1.58300 1.000 H137 H 6.33800 5.73800 -1.92700 1.000 H138 H 7.01400 5.99700 -0.30100 1.000