# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9VE' 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 7.11000 3.38700 -1.50200 1.000 O1 O 7.02000 2.27600 -0.60800 1.000 N2 N -2.09400 1.23000 1.24800 1.000 Cl3 Cl -0.32600 -0.39600 -3.09500 1.000 Cl4 Cl 2.02000 -3.98100 0.23500 1.000 C5 C 5.83000 1.61900 -0.55700 1.000 N6 N -9.16600 1.08300 0.44800 1.000 O7 O 6.70700 0.11700 1.07400 1.000 C8 C 5.67200 0.52800 0.29200 1.000 N9 N -1.61100 -3.64400 -1.26600 1.000 O10 O 1.00500 0.50600 -0.57800 1.000 C11 C 6.47200 -1.01000 1.92100 1.000 O12 O -7.83700 2.09300 1.91100 1.000 C13 C 7.74000 -1.32200 2.71700 1.000 O14 O -2.23200 -1.07600 0.38200 1.000 C15 C 7.67000 -1.18300 4.23900 1.000 O16 O -3.39100 -0.45100 2.50600 1.000 C17 C 7.73100 -2.57100 3.60000 1.000 O18 O 0.19400 -0.12600 1.37800 1.000 C19 C 4.45800 -0.13800 0.34000 1.000 O20 O -2.82800 -4.36300 -1.18300 1.000 C21 C 3.40800 0.28100 -0.45500 1.000 C22 C 2.08800 -0.44500 -0.40100 1.000 C23 C 0.10700 0.59800 0.41500 1.000 C24 C -1.01000 1.60600 0.32900 1.000 C25 C -4.44900 0.19400 0.26900 1.000 C26 C -5.57400 0.63900 0.93100 1.000 C27 C -6.73400 0.92900 0.21100 1.000 C28 C -7.94400 1.40700 0.91400 1.000 C29 C -10.36400 1.64300 1.07900 1.000 C30 C -9.29800 0.16900 -0.69000 1.000 C31 C -6.74700 0.76700 -1.17500 1.000 C32 C -5.61400 0.32100 -1.82500 1.000 C33 C -4.46800 0.03500 -1.10500 1.000 C34 C -2.26500 2.30600 2.24200 1.000 C35 C -1.70200 3.57400 1.55400 1.000 C36 C -0.50000 2.99500 0.76600 1.000 C37 C 2.03600 -1.49100 -1.51600 1.000 C38 C 0.74100 -2.25600 -1.42800 1.000 C39 C -0.38600 -1.82800 -2.11500 1.000 C40 C -1.55700 -2.55500 -2.01000 1.000 C41 C -0.56100 -4.07800 -0.59400 1.000 C42 C 0.64500 -3.40200 -0.65200 1.000 C43 C 3.56500 1.36500 -1.29800 1.000 C44 C 4.77200 2.03800 -1.34700 1.000 F45 F 6.86400 2.95400 -2.80900 1.000 F46 F 6.16200 4.35200 -1.14400 1.000 S47 S -2.98100 -0.16700 1.17600 1.000 H48 H 8.10800 3.82000 -1.44500 1.000 H49 H 5.65700 -0.78400 2.60800 1.000 H50 H 6.20400 -1.87300 1.31100 1.000 H51 H 8.67900 -1.05700 2.23000 1.000 H52 H 8.56300 -0.82600 4.75400 1.000 H53 H 6.72100 -0.86900 4.67300 1.000 H54 H 6.82000 -3.17100 3.61300 1.000 H55 H 8.66300 -3.12900 3.69400 1.000 H56 H 4.33300 -0.98600 0.99800 1.000 H57 H -2.92600 -5.05000 -1.85600 1.000 H58 H 1.98400 -0.93800 0.56500 1.000 H59 H -1.39000 1.65200 -0.69200 1.000 H60 H -5.55800 0.76200 2.00400 1.000 H61 H -10.69400 0.98400 1.88100 1.000 H62 H -10.13200 2.62600 1.48900 1.000 H63 H -11.15600 1.73800 0.33600 1.000 H64 H -9.31200 0.74200 -1.61700 1.000 H65 H -8.45300 -0.52000 -0.70200 1.000 H66 H -10.22600 -0.39600 -0.59700 1.000 H67 H -7.64100 0.99000 -1.73800 1.000 H68 H -5.62200 0.19500 -2.89700 1.000 H69 H -3.58400 -0.31300 -1.61800 1.000 H70 H -3.32100 2.44000 2.47800 1.000 H71 H -1.70000 2.08000 3.14600 1.000 H72 H -2.43700 4.01100 0.87700 1.000 H73 H -1.37200 4.30500 2.29200 1.000 H74 H 0.37600 2.89900 1.40800 1.000 H75 H -0.27600 3.61500 -0.10300 1.000 H76 H 2.09900 -0.99400 -2.48400 1.000 H77 H 2.87300 -2.18000 -1.40800 1.000 H78 H -2.43800 -2.22900 -2.54200 1.000 H79 H -0.64400 -4.97100 0.00700 1.000 H80 H 2.74100 1.69000 -1.91700 1.000 H81 H 4.89100 2.88500 -2.00600 1.000