# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95J' 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 0.28700 2.18900 0.26500 1.000 C1 C -3.66200 -1.00200 0.21700 1.000 C2 C 2.45100 1.42500 0.86600 1.000 C3 C -2.85200 1.35500 -0.07200 1.000 C4 C -3.97200 -2.44600 0.19000 1.000 C5 C -4.21500 -0.10200 1.05400 1.000 C6 C -3.76600 1.19100 0.89000 1.000 C7 C 4.09600 -0.31600 0.29600 1.000 C8 C 4.45700 0.53500 1.25800 1.000 C9 C -3.41100 -3.42800 -0.67700 1.000 C10 C -4.01700 -4.57600 -0.30400 1.000 N11 N 3.55500 1.45700 1.54300 1.000 N12 N -4.81700 -3.08600 0.96500 1.000 N13 N -0.73900 3.04800 0.42200 1.000 N14 N 1.39400 2.31500 1.02400 1.000 O15 O -1.65800 2.75300 -1.85000 1.000 O16 O -2.99600 3.90800 -0.08300 1.000 O17 O -4.85400 -4.26500 0.69600 1.000 O18 O 0.21300 1.29700 -0.55800 1.000 S19 S -2.10100 2.88900 -0.50600 1.000 S20 S 2.48400 0.13300 -0.25400 1.000 S21 S -2.50700 -0.19200 -0.83400 1.000 Br22 Br 5.13400 -1.75300 -0.36400 1.000 H23 H -4.95200 -0.37200 1.79600 1.000 H24 H -4.12800 2.01200 1.49100 1.000 H25 H 5.41000 0.47400 1.76400 1.000 H26 H -2.67300 -3.28600 -1.45200 1.000 H27 H -3.85800 -5.55600 -0.72900 1.000 H28 H -0.68000 3.75900 1.07900 1.000 H29 H 1.45300 3.02600 1.68100 1.000