# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2BQ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -5.23200 0.64100 0.01900 1.000 C1 C -3.52700 0.31900 -0.02700 1.000 C2 C -2.64300 1.17600 0.60400 1.000 C3 C -3.05100 -0.79900 -0.69000 1.000 C4 C -1.69400 -1.05500 -0.72500 1.000 C5 C -0.81100 -0.19600 -0.09800 1.000 C6 C -1.28600 0.91900 0.56800 1.000 C7 C 0.66900 -0.47600 -0.13700 1.000 O8 O 0.99100 -1.16900 -1.34400 1.000 C9 C 1.05600 -1.34000 1.06600 1.000 N10 N 0.26400 -2.57800 1.05400 1.000 C11 C 1.44000 0.84400 -0.08500 1.000 S12 S 3.22100 0.50200 -0.02700 1.000 O13 O 3.87400 1.87300 -0.12900 1.000 O14 O 3.59700 0.03000 1.25900 1.000 O15 O 3.63800 -0.17200 -1.20600 1.000 H16 H -3.01400 2.04700 1.12500 1.000 H17 H -3.74100 -1.47100 -1.17900 1.000 H18 H -1.32200 -1.92800 -1.24300 1.000 H19 H -0.59600 1.59000 1.05700 1.000 H20 H 0.77300 -0.67900 -2.14900 1.000 H21 H 2.11600 -1.58700 1.01000 1.000 H22 H 0.85800 -0.79100 1.98600 1.000 H23 H 0.44800 -3.11600 0.22000 1.000 H24 H 0.43700 -3.12500 1.88300 1.000 H25 H 1.21200 1.43300 -0.97300 1.000 H26 H 1.14800 1.40100 0.80500 1.000 H27 H 4.84100 1.85100 -0.11100 1.000