# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9O1' 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 -1.63300 1.96900 -1.89400 1.000 C1 C -0.99800 3.12600 -2.29700 1.000 C2 C -0.85800 4.18500 -1.41700 1.000 C3 C -2.81700 0.62600 -0.15900 1.000 C4 C -3.35700 -1.49900 0.24300 1.000 C5 C -3.47700 -3.40000 1.83100 1.000 C6 C -1.13300 -1.24900 -1.00700 1.000 C7 C 2.44600 -1.24100 -0.26300 1.000 C8 C 1.28100 -3.33000 -0.91700 1.000 C9 C 2.45100 -1.16700 1.12900 1.000 C10 C 3.51600 -0.82100 -0.99100 1.000 C11 C 4.65000 -0.22700 1.08200 1.000 C12 C 6.84800 0.71200 1.01100 1.000 C13 C -3.42800 -3.00000 0.35500 1.000 C14 C -4.68700 -3.50600 -0.35200 1.000 O15 O -4.25300 -0.62100 0.70100 1.000 N16 N -3.95400 0.52700 0.48200 1.000 C17 C -2.13400 1.86700 -0.59800 1.000 C18 C -1.35300 4.09000 -0.12900 1.000 C19 C -1.99100 2.93700 0.28600 1.000 Cl20 Cl -2.61200 2.82000 1.90200 1.000 C21 C -2.35800 -0.76700 -0.34700 1.000 O22 O -1.16300 -1.58100 -2.17600 1.000 N23 N 0.02100 -1.32200 -0.31500 1.000 C24 C 1.24000 -1.80200 -0.97100 1.000 C25 C 3.52700 -0.67100 1.80000 1.000 C26 C 5.77800 0.29200 1.74000 1.000 C27 C 6.84400 0.63700 -0.38000 1.000 C28 C 5.76800 0.14100 -1.05100 1.000 C29 C 4.64500 -0.30300 -0.33400 1.000 H30 H -1.74500 1.14500 -2.58400 1.000 H31 H -0.60900 3.20600 -3.30100 1.000 H32 H -0.36000 5.08800 -1.73700 1.000 H33 H -4.35800 -2.95800 2.29800 1.000 H34 H -3.52800 -4.48500 1.91200 1.000 H35 H -2.58000 -3.03900 2.33500 1.000 H36 H 2.18800 -3.68700 -1.40500 1.000 H37 H 1.27600 -3.65700 0.12300 1.000 H38 H 0.40800 -3.73600 -1.42900 1.000 H39 H 1.58900 -1.50700 1.68300 1.000 H40 H 3.49800 -0.88500 -2.06900 1.000 H41 H 7.71400 1.11100 1.51900 1.000 H42 H -2.54700 -3.44100 -0.11200 1.000 H43 H -4.65200 -3.22100 -1.40400 1.000 H44 H -4.73800 -4.59200 -0.27100 1.000 H45 H -5.56800 -3.06500 0.11500 1.000 H46 H -1.24100 4.91900 0.55400 1.000 H47 H 0.04500 -1.05700 0.61800 1.000 H48 H 1.24500 -1.47500 -2.01100 1.000 H49 H 3.51600 -0.61800 2.87900 1.000 H50 H 5.79600 0.35600 2.81700 1.000 H51 H 7.70600 0.97700 -0.93500 1.000 H52 H 5.77800 0.08800 -2.13000 1.000