# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96A' 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 0.41900 2.90900 0.35200 1.000 C1 C -0.40100 1.84800 0.48800 1.000 C2 C -2.47200 0.77100 0.05600 1.000 C3 C -2.78600 -1.41300 0.74400 1.000 C4 C 3.50300 1.82800 -1.11000 1.000 C5 C 3.89800 -0.42500 -0.98000 1.000 N6 N -2.29500 -2.53900 1.40500 1.000 C7 C 4.09900 0.70600 -1.65800 1.000 C8 C -3.72600 0.80100 -0.54100 1.000 C9 C 7.60800 -3.55700 -0.53500 1.000 C10 C -1.12400 -2.47200 2.06900 1.000 C11 C -4.04500 -1.45500 0.15900 1.000 C12 C -4.52700 -0.33000 -0.49000 1.000 C13 C 2.82200 1.61000 0.01500 1.000 C14 C 4.43900 -1.77800 -1.36700 1.000 C15 C 4.91400 0.75700 -2.92500 1.000 C16 C 5.81100 -1.98200 -0.72200 1.000 N17 N -1.66000 1.90200 0.01000 1.000 N18 N -0.69900 -3.52700 2.79200 1.000 N19 N -2.04300 -0.31900 0.67300 1.000 O20 O 2.57300 4.08400 0.61300 1.000 O21 O 1.86800 2.35000 2.26900 1.000 O22 O -0.00500 0.84100 1.04300 1.000 O23 O -0.45100 -1.46100 2.01700 1.000 O24 O 6.32400 -3.26400 -1.08800 1.000 S25 S 1.96500 2.84200 0.94000 1.000 S26 S 2.90900 -0.09600 0.43600 1.000 Br27 Br -6.24200 -0.33500 -1.28800 1.000 H28 H 0.10400 3.71000 -0.09500 1.000 H29 H 3.58700 2.80800 -1.55800 1.000 H30 H -2.79500 -3.36900 1.38500 1.000 H31 H -4.07200 1.69400 -1.03900 1.000 H32 H 8.32800 -2.81300 -0.87600 1.000 H33 H 7.54900 -3.53300 0.55300 1.000 H34 H 7.92700 -4.54700 -0.86000 1.000 H35 H -4.64600 -2.35100 0.22000 1.000 H36 H 3.75600 -2.55400 -1.02200 1.000 H37 H 4.53500 -1.83400 -2.45100 1.000 H38 H 4.26200 0.59000 -3.78300 1.000 H39 H 5.38600 1.73500 -3.01400 1.000 H40 H 5.68200 -0.01600 -2.89500 1.000 H41 H 6.49400 -1.20600 -1.06700 1.000 H42 H 5.71500 -1.92600 0.36200 1.000 H43 H -2.00000 2.72900 -0.36600 1.000 H44 H -1.23500 -4.33400 2.83400 1.000 H45 H 0.14400 -3.48000 3.27100 1.000