# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BG' 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 6.37200 -1.11300 0.79900 1.000 C1 C 4.89000 2.35900 -1.28900 1.000 C2 C -2.10000 1.50700 -0.09000 1.000 C3 C 4.31300 -3.68100 2.29300 1.000 C4 C 2.45400 -3.31000 0.96200 1.000 C5 C 4.34500 -1.93400 0.57700 1.000 C6 C 5.01800 -2.60500 1.59000 1.000 C7 C 4.94700 -0.05800 -0.99700 1.000 C8 C 5.86000 1.63500 -2.24900 1.000 C9 C 4.27500 1.21900 -0.44700 1.000 C10 C -0.84700 1.55600 0.78600 1.000 C11 C -3.34200 1.85500 0.75300 1.000 N12 N -4.01100 -1.48100 -0.69100 1.000 O13 O 4.86000 -4.30200 3.19200 1.000 N14 N 3.05500 -3.97000 1.92800 1.000 N15 N 1.16800 -3.64900 0.63300 1.000 N16 N 3.05900 -2.30400 0.27800 1.000 N17 N 6.25200 -2.05800 1.68800 1.000 N18 N 5.21200 -1.00400 0.09000 1.000 O19 O 6.18700 0.39800 -1.57900 1.000 C20 C 7.12200 2.47500 -2.46300 1.000 O21 O 7.95200 1.84500 -3.44100 1.000 O22 O 3.87200 3.04300 -2.02400 1.000 O23 O 2.86000 1.16200 -0.63800 1.000 P24 P 1.80500 1.31200 0.57000 1.000 O25 O 0.30900 1.33000 -0.02400 1.000 O26 O -3.99400 3.01400 0.22900 1.000 P27 P -4.20200 4.36400 1.08100 1.000 O28 O -2.89400 4.83300 1.59000 1.000 O29 O -4.85000 5.49900 0.14000 1.000 O30 O -5.18600 4.06900 2.32100 1.000 C31 C -4.25500 0.61200 0.61600 1.000 O32 O -5.62200 0.99800 0.45800 1.000 C33 C -3.71400 -0.04600 -0.67900 1.000 C34 C -5.17800 -2.06400 -1.11600 1.000 N35 N -6.32600 -1.61400 -1.61100 1.000 C36 C -7.29000 -2.44900 -1.93700 1.000 N37 N -7.17400 -3.75700 -1.79200 1.000 C38 C -6.06300 -4.29900 -1.30500 1.000 N39 N -5.95100 -5.67000 -1.15700 1.000 C40 C -5.00500 -3.44700 -0.94300 1.000 N41 N -3.76500 -3.63400 -0.43100 1.000 C42 C -3.17800 -2.48100 -0.28700 1.000 O43 O -2.28900 0.17600 -0.60000 1.000 O44 O 2.06300 2.57600 1.29600 1.000 O45 O 1.96700 0.07000 1.58100 1.000 H46 H 7.25200 -0.50600 0.65000 1.000 H47 H 5.43200 3.05600 -0.65100 1.000 H48 H -2.00500 2.21100 -0.91700 1.000 H49 H 4.31700 -0.52200 -1.75700 1.000 H50 H 5.37200 1.43300 -3.20200 1.000 H51 H 4.51200 1.35400 0.60800 1.000 H52 H -0.77300 2.53400 1.26000 1.000 H53 H -0.91000 0.78400 1.55300 1.000 H54 H -3.06400 2.01400 1.79500 1.000 H55 H 0.71900 -4.36400 1.10900 1.000 H56 H 0.70800 -3.17400 -0.07600 1.000 H57 H 2.57800 -1.84400 -0.42800 1.000 H58 H 6.84100 3.46900 -2.81000 1.000 H59 H 7.66600 2.55800 -1.52300 1.000 H60 H 8.77200 2.32300 -3.62800 1.000 H61 H 4.20300 3.76900 -2.57100 1.000 H62 H -5.00400 6.34100 0.58900 1.000 H63 H -6.06300 3.75700 2.06200 1.000 H64 H -4.13600 -0.05300 1.47000 1.000 H65 H -6.23300 0.25400 0.36800 1.000 H66 H -4.13200 0.43900 -1.56000 1.000 H67 H -8.21100 -2.05000 -2.33700 1.000 H68 H -6.68800 -6.24700 -1.41000 1.000 H69 H -5.13500 -6.05400 -0.80000 1.000 H70 H -2.18100 -2.33800 0.10100 1.000 H71 H 1.81200 -0.79300 1.17200 1.000