# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9R0' 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 4.67400 -0.05400 3.31200 1.000 C1 C 4.61800 0.34600 1.99000 1.000 C2 C 3.52500 1.08200 1.53400 1.000 C3 C 2.49600 1.41100 2.41600 1.000 C4 C 2.56400 1.00500 3.73500 1.000 C5 C 3.64800 0.27000 4.18000 1.000 C6 C 3.45900 1.51600 0.11700 1.000 N7 N 3.37000 2.74500 -0.32800 1.000 O8 O 3.33400 2.77600 -1.53600 1.000 C9 C 3.39500 1.54800 -2.06900 1.000 C10 C 3.48400 0.68000 -1.03500 1.000 C11 C 3.37500 1.20100 -3.53500 1.000 C12 C 3.47900 2.35400 -4.53500 1.000 C13 C 2.14700 1.62500 -4.34400 1.000 C14 C 3.58400 -0.82200 -1.09000 1.000 O15 O 2.27500 -1.38300 -1.21100 1.000 C16 C 2.25700 -2.81000 -1.27100 1.000 C17 C 1.61900 -3.47100 -0.03600 1.000 C18 C 0.28900 -3.38600 -0.78400 1.000 C19 C 1.08300 -3.37800 -2.09000 1.000 C20 C -0.54700 -2.12900 -0.50800 1.000 N21 N -1.66400 -2.60900 0.34900 1.000 C22 C -2.01600 -3.93900 -0.21500 1.000 C23 C -0.65800 -4.57600 -0.59100 1.000 C24 C -2.73700 -1.74800 0.29000 1.000 N25 N -2.77800 -0.66900 -0.41800 1.000 C26 C -3.89900 0.07200 -0.37300 1.000 C27 C -4.87800 -0.47300 0.46900 1.000 S28 S -4.24800 -1.96600 1.16100 1.000 C29 C -4.18400 1.28100 -1.04900 1.000 C30 C -5.38000 1.90100 -0.88800 1.000 C31 C -6.35900 1.35500 -0.04500 1.000 C32 C -6.09900 0.16400 0.63200 1.000 C33 C -7.65400 2.03700 0.12500 1.000 O34 O -7.90100 3.18800 -0.53000 1.000 O35 O -8.50000 1.56100 0.85700 1.000 Cl36 Cl 5.90400 -0.06800 0.90000 1.000 Cl37 Cl 1.13200 2.32900 1.85700 1.000 H38 H 5.51900 -0.62600 3.66600 1.000 H39 H 1.76800 1.25900 4.41800 1.000 H40 H 3.69600 -0.04500 5.21200 1.000 H41 H 3.85200 0.25800 -3.80200 1.000 H42 H 3.56200 3.36300 -4.13300 1.000 H43 H 4.02500 2.17000 -5.46000 1.000 H44 H 1.81700 0.96100 -5.14300 1.000 H45 H 1.35500 2.15500 -3.81600 1.000 H46 H 4.18500 -1.11500 -1.95100 1.000 H47 H 4.05400 -1.18900 -0.17700 1.000 H48 H 3.22400 -3.23400 -1.54300 1.000 H49 H 1.95800 -4.49200 0.13900 1.000 H50 H 1.65800 -2.85300 0.86100 1.000 H51 H 0.69300 -2.68300 -2.83400 1.000 H52 H 1.27100 -4.37200 -2.49400 1.000 H53 H 0.04800 -1.38500 0.02200 1.000 H54 H -0.93000 -1.71400 -1.44100 1.000 H55 H -2.52600 -4.54600 0.53300 1.000 H56 H -2.64000 -3.82300 -1.10100 1.000 H57 H -0.74900 -5.14400 -1.51700 1.000 H58 H -0.30300 -5.21800 0.21500 1.000 H59 H -3.44200 1.71500 -1.70200 1.000 H60 H -5.58000 2.82400 -1.41300 1.000 H61 H -6.84900 -0.26200 1.28200 1.000 H62 H -8.76400 3.59900 -0.38700 1.000