# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9Y9' 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 3.74600 2.90800 1.31000 1.000 C1 C 4.10200 3.16500 -0.00400 1.000 C2 C 4.13700 2.14000 -0.92400 1.000 C3 C 3.46400 1.61000 1.68500 1.000 F4 F 4.41600 4.42300 -0.38400 1.000 C5 C 3.84000 0.82400 -0.55800 1.000 C6 C 3.54700 0.58000 0.76600 1.000 S7 S 3.34800 -1.07800 1.33000 1.000 C8 C 3.83500 -0.16300 -1.70500 1.000 N9 N 2.36400 -1.82000 0.21700 1.000 C10 C 4.23900 -1.57600 -1.30400 1.000 C11 C 2.99000 -2.40400 -0.93600 1.000 C12 C 4.96600 -2.24700 -2.47100 1.000 C13 C 0.91300 -1.87600 0.40300 1.000 O14 O 2.61000 -1.00900 2.54200 1.000 O15 O 4.62200 -1.69900 1.22400 1.000 C16 C 0.25700 -0.71500 -0.34600 1.000 C17 C -1.24500 -0.70000 -0.05000 1.000 N18 N -1.85300 0.48000 -0.67000 1.000 C19 C -1.88900 -1.96500 -0.62000 1.000 C20 C -3.34200 -2.01000 -0.22300 1.000 C21 C -4.30000 -1.43400 -1.03800 1.000 C22 C -5.63300 -1.47600 -0.67300 1.000 C23 C -6.00800 -2.09300 0.50500 1.000 C24 C -5.05100 -2.66900 1.31900 1.000 C25 C -3.71900 -2.63300 0.95200 1.000 C26 C -2.99400 0.99200 -0.16800 1.000 O27 O -3.51900 0.47500 0.79800 1.000 O28 O -3.55300 2.07600 -0.73800 1.000 O29 O 0.46300 -0.87600 -1.75000 1.000 C30 C -4.78200 2.57300 -0.14500 1.000 C31 C -5.85300 1.48100 -0.20100 1.000 C32 C -4.52500 2.96100 1.31200 1.000 C33 C -5.26400 3.80000 -0.92200 1.000 H34 H 3.69400 3.71100 2.03000 1.000 H35 H 4.39800 2.35800 -1.94900 1.000 H36 H 3.17600 1.39800 2.70400 1.000 H37 H 2.83300 -0.19600 -2.13200 1.000 H38 H 4.52400 0.19100 -2.47200 1.000 H39 H 4.90500 -1.53000 -0.44200 1.000 H40 H 3.28400 -3.43000 -0.71000 1.000 H41 H 2.29200 -2.39900 -1.77200 1.000 H42 H 5.85600 -1.67100 -2.72400 1.000 H43 H 5.25600 -3.25800 -2.18600 1.000 H44 H 4.30300 -2.28900 -3.33600 1.000 H45 H 0.53200 -2.82000 0.01400 1.000 H46 H 0.68000 -1.80100 1.46600 1.000 H47 H 0.70100 0.22600 -0.01900 1.000 H48 H -1.40200 -0.66600 1.02800 1.000 H49 H -1.43400 0.89300 -1.44100 1.000 H50 H -1.81000 -1.95500 -1.70700 1.000 H51 H -1.37700 -2.84200 -0.22600 1.000 H52 H -4.00600 -0.95100 -1.95800 1.000 H53 H -6.38000 -1.02500 -1.30900 1.000 H54 H -7.05000 -2.12500 0.79000 1.000 H55 H -5.34500 -3.15100 2.24000 1.000 H56 H -2.97100 -3.08300 1.58800 1.000 H57 H 0.09400 -1.69400 -2.11100 1.000 H58 H -5.51000 0.60700 0.35200 1.000 H59 H -6.77500 1.85400 0.24400 1.000 H60 H -6.03600 1.20500 -1.24000 1.000 H61 H -3.76300 3.73800 1.35200 1.000 H62 H -5.44800 3.33300 1.75700 1.000 H63 H -4.18200 2.08600 1.86600 1.000 H64 H -5.44700 3.52300 -1.96000 1.000 H65 H -6.18700 4.17200 -0.47700 1.000 H66 H -4.50100 4.57700 -0.88200 1.000