# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91P' 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 5.71500 0.77100 1.88300 1.000 C1 C 8.22500 -1.71000 1.59600 1.000 C2 C 7.40100 -0.92900 2.64900 1.000 C3 C -8.03900 0.24100 3.38200 1.000 C4 C -6.87400 0.04300 1.16400 1.000 C5 C -5.99300 -0.63700 -1.03000 1.000 C6 C -4.54400 0.78200 -2.10600 1.000 C7 C -3.81100 2.12000 -1.99600 1.000 C8 C 6.02900 -0.72400 1.97900 1.000 C9 C 7.11500 -2.32500 0.70700 1.000 C10 C 7.62100 -3.88500 -1.11000 1.000 C11 C 8.09300 -4.13200 -2.35500 1.000 C12 C 8.57700 -3.05600 -3.12800 1.000 C13 C 8.10000 -1.60200 -1.39700 1.000 C14 C -5.87800 0.96100 -2.86500 1.000 C15 C -6.85300 0.00600 -2.14000 1.000 C16 C -7.53200 -1.90200 0.46800 1.000 C17 C -8.12900 -1.67300 1.71300 1.000 C18 C -8.97700 -2.65400 2.25400 1.000 C19 C -8.58700 -3.95800 0.33200 1.000 N20 N -7.68800 -0.43200 2.12900 1.000 N21 N -6.78600 -0.82000 0.18800 1.000 N22 N 7.62700 -2.60700 -0.63700 1.000 N23 N 8.56300 -1.82900 -2.62500 1.000 N24 N 9.06200 -3.27900 -4.39600 1.000 N25 N -9.18800 -3.78500 1.54300 1.000 N26 N -7.78600 -3.05400 -0.18200 1.000 N27 N -8.81700 -5.11800 -0.36600 1.000 O28 O -4.92500 0.30800 -0.79700 1.000 O29 O -2.53000 1.91300 -1.39600 1.000 O30 O -1.00200 3.72700 -2.53000 1.000 O31 O -2.14200 4.16400 -0.32100 1.000 O32 O -0.21200 2.53600 -0.32400 1.000 O33 O 0.36300 3.49000 2.05800 1.000 O34 O 1.35900 4.49100 -0.03500 1.000 O35 O 2.20000 2.21800 0.67200 1.000 O36 O 4.54900 3.18400 -0.00800 1.000 O37 O 3.77900 3.17000 2.39600 1.000 O38 O 4.39400 0.94900 1.36800 1.000 O39 O 6.10800 -1.29100 0.66100 1.000 O40 O 9.00800 -2.73200 2.21600 1.000 O41 O 7.26300 -1.69800 3.84600 1.000 O42 O 8.09700 -0.46500 -0.95700 1.000 O43 O -5.73000 0.58000 -4.23400 1.000 O44 O -7.33700 -0.99300 -3.04000 1.000 O45 O -9.51000 -2.49000 3.33900 1.000 P46 P -1.48600 3.10800 -1.12500 1.000 P47 P 0.93700 3.21200 0.57900 1.000 P48 P 3.73200 2.39700 1.13500 1.000 H49 H 5.78200 1.22000 2.87400 1.000 H50 H 6.43300 1.25100 1.21800 1.000 H51 H 8.85700 -1.03500 1.01900 1.000 H52 H 7.87000 0.03000 2.86600 1.000 H53 H -7.32100 -0.03300 4.15500 1.000 H54 H -8.01800 1.32100 3.23300 1.000 H55 H -9.03900 -0.06400 3.69100 1.000 H56 H -6.37200 0.99900 1.19300 1.000 H57 H -5.58800 -1.59100 -1.36700 1.000 H58 H -3.91700 0.04700 -2.61000 1.000 H59 H -3.68200 2.54700 -2.99100 1.000 H60 H -4.39400 2.80400 -1.38000 1.000 H61 H 5.25500 -1.22900 2.55600 1.000 H62 H 6.71500 -3.23000 1.16400 1.000 H63 H 7.24100 -4.69100 -0.50100 1.000 H64 H 8.09800 -5.13700 -2.75000 1.000 H65 H -6.22400 1.99200 -2.79100 1.000 H66 H -7.68200 0.56400 -1.70600 1.000 H67 H 9.39600 -2.53700 -4.92500 1.000 H68 H 9.07200 -4.17800 -4.76100 1.000 H69 H -9.77000 -4.47600 1.89700 1.000 H70 H -8.39000 -5.25900 -1.22600 1.000 H71 H -9.40600 -5.79600 0.00000 1.000 H72 H -0.56300 3.09000 -3.11000 1.000 H73 H 0.06700 2.69500 2.52100 1.000 H74 H 4.56000 2.73400 -0.86400 1.000 H75 H 9.65700 -2.39900 2.85100 1.000 H76 H 8.10200 -1.90700 4.27800 1.000 H77 H -6.53800 0.67300 -4.75800 1.000 H78 H -7.88400 -0.64500 -3.75700 1.000