# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9OC' 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 2.88500 2.73500 0.58200 1.000 C1 C 2.37400 -0.91400 0.99300 1.000 C2 C 1.09800 -0.91000 1.56300 1.000 N3 N 0.37600 2.66900 1.66800 1.000 N4 N 2.23700 3.87400 0.90100 1.000 C5 C 1.00300 3.83700 1.43400 1.000 C6 C 2.25800 1.50000 0.81400 1.000 C7 C 0.99500 1.48000 1.36700 1.000 C8 C 0.74500 -4.52400 2.60200 1.000 C9 C 3.37800 -4.52800 1.42100 1.000 C10 C 7.64300 -0.44200 -3.61700 1.000 C11 C 6.36700 -0.87100 -3.93100 1.000 C12 C 7.98600 -0.20100 -2.30000 1.000 C13 C 5.43200 -1.05200 -2.92900 1.000 C14 C 7.05300 -0.38700 -1.29700 1.000 C15 C 0.57400 -2.08200 2.08300 1.000 C16 C 3.11000 -2.08500 0.94800 1.000 C17 C 4.75600 -1.00700 -0.51900 1.000 C18 C -5.63300 -0.08800 -0.12600 1.000 C19 C -1.07400 0.25200 1.89000 1.000 C20 C 4.00700 0.28000 -0.28500 1.000 C21 C 1.31500 -3.25000 2.03500 1.000 C22 C 2.57900 -3.25100 1.47000 1.000 C23 C 5.77300 -0.80400 -1.61200 1.000 C24 C -4.13300 -0.05700 -0.42700 1.000 C25 C -1.85400 0.11300 0.58100 1.000 C26 C -3.35300 0.08200 0.88200 1.000 N27 N 2.90500 0.28700 0.49000 1.000 N28 N 0.36300 0.28200 1.60100 1.000 O29 O 0.44300 4.88000 1.71200 1.000 O30 O 4.00200 2.77700 0.09300 1.000 O31 O 4.39700 1.31000 -0.79400 1.000 O32 O -8.42300 -0.84600 -2.87600 1.000 O33 O -3.84100 1.05500 -1.27600 1.000 O34 O -1.56100 1.22500 -0.26800 1.000 O35 O -3.64500 -1.03000 1.73100 1.000 O36 O -8.60100 0.99500 -1.00700 1.000 O37 O -8.42800 -1.45500 -0.42600 1.000 O38 O -6.35600 -0.33500 -1.33400 1.000 P39 P -7.96200 -0.43300 -1.39000 1.000 H40 H -0.51600 2.66700 2.05100 1.000 H41 H 2.66600 4.73000 0.74300 1.000 H42 H 0.19700 -5.05500 1.82300 1.000 H43 H 1.55600 -5.15400 2.96800 1.000 H44 H 0.07000 -4.28700 3.42400 1.000 H45 H 3.98200 -4.61300 2.32500 1.000 H46 H 2.70000 -5.37900 1.35500 1.000 H47 H 4.03100 -4.51500 0.54800 1.000 H48 H 8.37300 -0.30000 -4.40000 1.000 H49 H 6.10000 -1.06300 -4.96000 1.000 H50 H 8.98300 0.13400 -2.05400 1.000 H51 H 4.43500 -1.38600 -3.17400 1.000 H52 H 7.32100 -0.19800 -0.26800 1.000 H53 H -0.41100 -2.08500 2.52600 1.000 H54 H 4.09500 -2.08800 0.50600 1.000 H55 H 5.26300 -1.30400 0.39800 1.000 H56 H 4.05400 -1.78600 -0.81600 1.000 H57 H -5.84300 -0.88200 0.59100 1.000 H58 H -5.94000 0.87000 0.29200 1.000 H59 H -1.36300 1.17600 2.38900 1.000 H60 H -1.29600 -0.59600 2.53700 1.000 H61 H -3.84400 -0.98100 -0.92700 1.000 H62 H -1.56400 -0.81100 0.08100 1.000 H63 H -3.64300 1.00600 1.38100 1.000 H64 H -9.38100 -0.92400 -2.98300 1.000 H65 H -4.07400 1.91300 -0.89500 1.000 H66 H -1.79400 2.08300 0.11300 1.000 H67 H -3.41300 -1.88800 1.34900 1.000 H68 H -8.33800 1.71400 -1.59800 1.000