# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CBP' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -0.15100 -4.18200 3.04800 1.000 N1 N 0.42900 -3.12900 2.30000 1.000 C2 C 0.36300 -1.86300 2.75600 1.000 O3 O -0.19300 -1.62400 3.80600 1.000 C4 C 0.98200 -0.74300 1.96000 1.000 C5 C 0.63200 0.59700 2.60900 1.000 C6 C 1.12400 0.60900 4.06100 1.000 C7 C 2.65400 0.56200 4.07000 1.000 O8 O 3.17600 1.71100 3.40600 1.000 C9 C 2.83900 1.60100 2.02500 1.000 C10 C 1.32500 1.73300 1.84800 1.000 S11 S -1.16400 0.84100 2.57300 1.000 O12 O -1.85200 -0.24500 3.17600 1.000 O13 O -1.51400 2.19400 2.83200 1.000 C14 C -1.56000 0.65600 0.86600 1.000 C15 C -1.87800 -0.59100 0.36300 1.000 C16 C -2.18900 -0.73900 -0.97400 1.000 C17 C -2.18200 0.36500 -1.81300 1.000 C18 C -1.86300 1.61600 -1.30500 1.000 C19 C -1.55700 1.76000 0.03300 1.000 O20 O -2.48800 0.22200 -3.12900 1.000 C21 C -1.31100 0.07600 -3.79200 1.000 C22 C -0.12300 -0.02500 -3.08400 1.000 C23 C 1.07200 -0.17400 -3.76000 1.000 C24 C 1.08400 -0.22100 -5.14300 1.000 C25 C -0.09900 -0.12000 -5.85100 1.000 C26 C -1.29700 0.02200 -5.17900 1.000 Cl27 Cl 2.58800 -0.40900 -5.99100 1.000 H28 H 0.00500 -4.99700 2.55200 1.000 H29 H 0.87500 -3.32000 1.46000 1.000 H30 H 2.06400 -0.86600 1.94000 1.000 H31 H 0.59500 -0.76400 0.94100 1.000 H32 H 0.78400 1.52000 4.55400 1.000 H33 H 0.72900 -0.26000 4.58700 1.000 H34 H 3.00900 0.54500 5.10000 1.000 H35 H 2.99100 -0.33700 3.55700 1.000 H36 H 3.34000 2.39200 1.46600 1.000 H37 H 3.16500 0.63200 1.64800 1.000 H38 H 1.07400 1.66900 0.78900 1.000 H39 H 0.99400 2.69300 2.24500 1.000 H40 H -1.88300 -1.45100 1.01700 1.000 H41 H -2.43700 -1.71500 -1.36600 1.000 H42 H -1.85700 2.47800 -1.95600 1.000 H43 H -1.30800 2.73300 0.42900 1.000 H44 H -0.13200 0.01100 -2.00500 1.000 H45 H 1.99700 -0.25400 -3.20900 1.000 H46 H -0.08800 -0.15700 -6.93100 1.000 H47 H -2.22100 0.10200 -5.73200 1.000