# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '960' 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 4.57500 -0.22600 -0.15300 1.000 N1 N -2.85300 -0.98200 -0.01000 1.000 C2 C -2.99500 -2.13300 -0.74300 1.000 C3 C -0.99400 -2.13000 0.08600 1.000 C4 C -5.04900 -0.31600 -0.52400 1.000 C5 C 5.81100 -0.08100 -0.71400 1.000 C6 C 7.96600 -1.35800 -0.67300 1.000 C7 C 3.41800 0.68600 -0.33300 1.000 C8 C 3.53400 1.82600 -1.13700 1.000 C9 C 1.34100 2.42800 -0.72900 1.000 C10 C 1.14800 1.29800 0.09000 1.000 C11 C 2.20400 0.41300 0.29100 1.000 C12 C 0.11200 3.13200 -0.74500 1.000 C13 C -1.59400 -0.99200 0.50900 1.000 C14 C -5.22800 -1.48100 -1.28100 1.000 C15 C -4.21700 -2.38600 -1.39500 1.000 C16 C 4.59600 -1.40100 0.62300 1.000 N17 N 2.52300 2.64300 -1.30900 1.000 N18 N -0.74700 2.49200 -0.00600 1.000 N19 N -0.14700 1.34900 0.53700 1.000 N20 N -1.85700 -2.80900 -0.67000 1.000 N21 N -3.91500 -0.07700 0.08300 1.000 N22 N 6.56800 -1.11900 -0.30600 1.000 N23 N 5.78800 -1.92900 0.52700 1.000 O24 O -1.95700 0.92600 2.16000 1.000 O25 O 0.16700 -0.38700 2.26200 1.000 S26 S -0.87600 0.24800 1.53600 1.000 Cl27 Cl -6.34800 0.82700 -0.39000 1.000 H28 H 0.01300 -2.43800 0.32400 1.000 H29 H 6.12500 0.72100 -1.36700 1.000 H30 H 8.62000 -0.87300 0.05200 1.000 H31 H 8.16200 -2.43100 -0.67800 1.000 H32 H 8.15700 -0.94900 -1.66500 1.000 H33 H 4.47400 2.03700 -1.62500 1.000 H34 H 2.08400 -0.46200 0.91300 1.000 H35 H -0.08000 4.04900 -1.28200 1.000 H36 H -6.17100 -1.66200 -1.77600 1.000 H37 H -4.35100 -3.28500 -1.97700 1.000 H38 H 3.77200 -1.79600 1.19700 1.000