# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90P' 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 1.04300 0.98000 0.09500 1.000 C1 C -0.60800 -0.64400 0.14200 1.000 C2 C -2.96700 0.04700 0.29600 1.000 N3 N -0.23800 0.62900 0.15800 1.000 C4 C -4.22100 -0.52700 0.96200 1.000 C5 C -5.31100 0.54700 0.99800 1.000 N6 N -1.94000 -0.99400 0.20700 1.000 C7 C -6.75400 1.91100 -0.38700 1.000 C8 C -4.44000 1.57900 -1.01500 1.000 C9 C -3.32500 0.53600 -1.11000 1.000 C10 C 0.40000 -1.63600 0.06700 1.000 N11 N -5.61700 0.98100 -0.37100 1.000 C12 C 0.09200 -3.00200 0.05500 1.000 C13 C 1.09900 -3.92100 -0.02900 1.000 C14 C -0.58400 -5.60100 0.03800 1.000 N15 N 1.36300 2.32700 0.11600 1.000 C16 C 0.30000 3.33100 0.20600 1.000 C17 C 2.76400 2.74700 0.04900 1.000 C18 C 2.97600 3.62100 -1.19000 1.000 C19 C 4.43900 4.06000 -1.26000 1.000 C20 C 4.79300 4.86100 -0.00500 1.000 C21 C 4.58200 3.98700 1.23300 1.000 C22 C 3.11800 3.54800 1.30400 1.000 N23 N 2.02100 0.09900 0.01900 1.000 C24 C 1.75100 -1.21600 0.00200 1.000 C25 C 2.76700 -2.17600 -0.07900 1.000 O26 O 0.79800 -5.24800 -0.04000 1.000 C27 C 2.43800 -3.51300 -0.09400 1.000 O28 O 3.42200 -4.44700 -0.17200 1.000 C29 C 4.76700 -3.96900 -0.23500 1.000 H30 H -2.59100 0.88100 0.88700 1.000 H31 H -4.57600 -1.38600 0.39100 1.000 H32 H -3.98300 -0.83800 1.97900 1.000 H33 H -6.21000 0.13700 1.45800 1.000 H34 H -4.96100 1.40000 1.57900 1.000 H35 H -2.19700 -1.92900 0.19500 1.000 H36 H -6.55600 2.73900 0.29400 1.000 H37 H -6.89500 2.29600 -1.39700 1.000 H38 H -4.09500 2.42700 -0.42300 1.000 H39 H -4.70700 1.91900 -2.01500 1.000 H40 H -2.44600 0.98400 -1.57400 1.000 H41 H -3.66500 -0.30600 -1.71300 1.000 H42 H -0.93700 -3.32700 0.10500 1.000 H43 H -1.00700 -5.21300 0.96500 1.000 H44 H -1.11700 -5.17300 -0.81100 1.000 H45 H -0.68400 -6.68600 0.02000 1.000 H46 H 0.09500 3.55000 1.25400 1.000 H47 H 0.61800 4.24200 -0.30100 1.000 H48 H -0.60300 2.94800 -0.26900 1.000 H49 H 3.40500 1.86800 -0.01400 1.000 H50 H 2.72400 3.05000 -2.08400 1.000 H51 H 2.33500 4.50000 -1.12800 1.000 H52 H 5.08000 3.18100 -1.32300 1.000 H53 H 4.59000 4.68200 -2.14300 1.000 H54 H 5.83600 5.17400 -0.05600 1.000 H55 H 4.15200 5.74000 0.05700 1.000 H56 H 5.22200 3.10800 1.17100 1.000 H57 H 4.83300 4.55800 2.12700 1.000 H58 H 2.47700 4.42700 1.36600 1.000 H59 H 2.96700 2.92600 2.18600 1.000 H60 H 3.80200 -1.87000 -0.12900 1.000 H61 H 4.88800 -3.34100 -1.11800 1.000 H62 H 4.98700 -3.38500 0.65900 1.000 H63 H 5.45100 -4.81500 -0.29400 1.000 C64 C -8.02000 1.17600 0.05900 1.000 H65 H -7.87900 0.79000 1.06900 1.000 H66 H -8.86400 1.86600 0.04800 1.000 H67 H -8.21800 0.34800 -0.62100 1.000