# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0NB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B0 B 4.19400 1.98100 -0.45800 1.000 O1 O 5.61400 1.95100 -0.41500 1.000 O2 O 3.52900 2.88400 -1.32800 1.000 C3 C 3.36100 1.01000 0.45200 1.000 N4 N 3.22000 -0.28600 -0.21700 1.000 S5 S 2.28000 -1.46900 0.46000 1.000 O6 O 2.31900 -2.57300 -0.43400 1.000 O7 O 2.66900 -1.55900 1.82400 1.000 C8 C 0.61800 -0.88300 0.45500 1.000 C9 C 0.13900 -0.16200 1.53400 1.000 C10 C -1.16000 0.30500 1.53400 1.000 C11 C -1.99000 0.04900 0.44300 1.000 C12 C -3.38300 0.54800 0.43600 1.000 N13 N -4.01900 1.17700 1.45500 1.000 N14 N -5.30800 1.45600 0.96900 1.000 N15 N -5.35900 1.00400 -0.23700 1.000 N16 N -4.23800 0.46900 -0.56200 1.000 C17 C -1.50000 -0.67900 -0.64400 1.000 Cl18 Cl -2.52500 -1.00200 -2.00700 1.000 C19 C -0.19900 -1.14000 -0.63100 1.000 H20 H 6.03800 2.58100 -1.01300 1.000 H21 H 2.56800 2.77900 -1.34400 1.000 H22 H 3.87500 0.87300 1.40400 1.000 H23 H 2.37400 1.43600 0.63100 1.000 H24 H 3.67600 -0.45000 -1.05700 1.000 H25 H 0.78200 0.03500 2.37800 1.000 H26 H -1.53200 0.86700 2.37700 1.000 H27 H -3.66100 1.38800 2.33200 1.000 H28 H 0.18300 -1.70000 -1.47200 1.000