# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J45' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 3.42000 -2.14700 0.23600 1.000 C1 C 2.12200 -2.35000 0.33700 1.000 N2 N 1.25600 -1.35900 0.27900 1.000 C3 C 1.66900 -0.10500 0.11500 1.000 C4 C 3.03700 0.14700 0.00400 1.000 C5 C 3.90900 -0.92400 0.07100 1.000 N6 N 0.75400 0.93600 0.05400 1.000 C7 C -0.61700 0.66100 0.04900 1.000 C8 C -1.50500 1.54500 0.64700 1.000 C9 C -2.85900 1.27200 0.64000 1.000 C10 C -3.33000 0.11900 0.03800 1.000 C11 C -2.44800 -0.76300 -0.55800 1.000 C12 C -1.09400 -0.49300 -0.56000 1.000 S13 S -5.05800 -0.22600 0.03200 1.000 O14 O -5.18500 -1.63300 -0.12300 1.000 O15 O -5.61400 0.48900 1.12600 1.000 N16 N -5.68900 0.45400 -1.34000 1.000 N17 N 3.54200 1.52600 -0.18000 1.000 O18 O 3.81300 2.21000 0.79100 1.000 O19 O 3.68700 1.97700 -1.30200 1.000 Cl20 Cl 5.62200 -0.67300 -0.05900 1.000 H21 H 1.75800 -3.35800 0.47100 1.000 H22 H 1.06500 1.85300 0.01400 1.000 H23 H -1.13800 2.44500 1.11700 1.000 H24 H -3.55100 1.95900 1.10500 1.000 H25 H -2.81900 -1.66300 -1.02600 1.000 H26 H -0.40500 -1.18000 -1.03000 1.000 H27 H -5.11000 0.93300 -1.95400 1.000 H28 H -6.63600 0.37400 -1.52900 1.000