# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BY' 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 2.33200 0.36500 -0.46000 1.000 C1 C -1.96500 -0.09000 -0.30500 1.000 N2 N -0.65600 0.33100 -0.44800 1.000 C3 C 0.14800 -0.71800 -0.08900 1.000 C4 C -3.08800 -2.12500 0.37600 1.000 C5 C -0.06100 2.56400 0.29000 1.000 C6 C -0.21200 1.65100 -0.90000 1.000 C7 C -4.30100 -1.51000 0.16500 1.000 C8 C -4.35700 -0.19400 -0.27100 1.000 C9 C -3.19700 0.51300 -0.51100 1.000 C10 C -1.90300 -1.42200 0.14300 1.000 N11 N -0.59100 -1.74400 0.26100 1.000 O12 O 0.33900 3.83400 0.11500 1.000 O13 O -0.29900 2.15400 1.40100 1.000 C14 C 1.62400 -0.69800 -0.09600 1.000 C15 C 2.37800 -1.76000 0.26800 1.000 S16 S 4.07100 -1.30000 0.11000 1.000 C17 C 3.61300 0.25800 -0.42300 1.000 H18 H -3.05300 -3.15000 0.71400 1.000 H19 H 0.74600 1.55800 -1.41000 1.000 H20 H -0.95000 2.06800 -1.58600 1.000 H21 H -5.21700 -2.05600 0.33900 1.000 H22 H -5.31500 0.27700 -0.43300 1.000 H23 H -3.24800 1.53400 -0.86000 1.000 H24 H 0.42200 4.38100 0.90800 1.000 H25 H 2.00700 -2.72000 0.59600 1.000 H26 H 4.30400 1.04300 -0.69300 1.000