# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '93J' 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 -1.57400 -1.79600 0.43300 1.000 C1 C 0.49100 -3.57700 -0.11900 1.000 C2 C -1.86400 -3.09000 -0.06400 1.000 C3 C 2.42300 -6.55600 -1.09900 1.000 C4 C -2.11100 2.72300 0.77300 1.000 C5 C -1.88200 3.76500 -0.10600 1.000 C6 C -1.72000 3.51000 -1.45800 1.000 C7 C -2.02400 1.16700 -1.05900 1.000 C8 C 2.44200 -0.60600 0.56700 1.000 C9 C 3.82700 -0.19900 0.84800 1.000 C10 C 4.16000 1.08900 0.82800 1.000 C11 C 5.57900 1.50500 1.11500 1.000 O12 O 1.60000 0.23600 0.31700 1.000 N13 N 2.10600 -1.91100 0.58800 1.000 N14 N 6.08500 2.32100 0.00300 1.000 C15 C 7.37100 2.94100 0.34700 1.000 C16 C 6.19700 1.52300 -1.22600 1.000 N17 N -3.13500 -3.46200 -0.27700 1.000 C18 C -4.14200 -2.66100 -0.03900 1.000 C19 C -3.94700 -1.36100 0.45400 1.000 C20 C -2.64200 -0.90800 0.70000 1.000 C21 C -0.24300 -1.41000 0.64800 1.000 C22 C 0.77600 -2.29400 0.37400 1.000 C23 C -0.80800 -3.97600 -0.33000 1.000 O24 O 1.50900 -4.43800 -0.37900 1.000 C25 C 1.15400 -5.73400 -0.86700 1.000 C26 C -5.06900 -0.50600 0.70400 1.000 N27 N -5.95800 0.17200 0.90300 1.000 N28 N -2.40700 0.36300 1.18600 1.000 C29 C -2.18100 1.41900 0.29800 1.000 C30 C -1.78900 2.21100 -1.93200 1.000 F31 F -1.49600 4.53000 -2.31500 1.000 Cl32 Cl -1.79500 5.39500 0.48600 1.000 H33 H 3.05300 -6.05300 -1.83200 1.000 H34 H 2.96700 -6.65800 -0.16100 1.000 H35 H 2.15200 -7.54500 -1.47200 1.000 H36 H -2.23300 2.92100 1.82700 1.000 H37 H -2.07700 0.15400 -1.42900 1.000 H38 H 4.57500 -0.94600 1.07100 1.000 H39 H 3.41200 1.83600 0.60500 1.000 H40 H 5.60700 2.08900 2.03600 1.000 H41 H 6.20200 0.61800 1.22800 1.000 H42 H 2.78400 -2.58400 0.75100 1.000 H43 H 7.72300 3.53900 -0.49300 1.000 H44 H 7.24400 3.58100 1.22000 1.000 H45 H 8.10100 2.16300 0.57100 1.000 H46 H 5.21600 1.13300 -1.49600 1.000 H47 H 6.57400 2.15100 -2.03300 1.000 H48 H 6.88400 0.69400 -1.05900 1.000 H49 H -5.14700 -3.00800 -0.22700 1.000 H50 H -0.01900 -0.42400 1.02700 1.000 H51 H -1.01500 -4.96500 -0.71000 1.000 H52 H 0.61000 -5.63200 -1.80600 1.000 H53 H 0.52400 -6.23800 -0.13400 1.000 H54 H -2.40000 0.52200 2.14200 1.000 H55 H -1.66400 2.01400 -2.98700 1.000