# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TG' 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 -3.09900 -1.78500 -1.35000 1.000 C1 C -2.87300 -1.55300 0.00800 1.000 C2 C -2.54600 -0.26800 0.44600 1.000 C3 C -2.09600 2.15100 0.00500 1.000 C4 C -2.44900 0.76400 -0.46500 1.000 C5 C -2.99300 -0.74500 -2.25100 1.000 C6 C -2.67300 0.52700 -1.80900 1.000 C7 C -2.97900 -2.66200 0.97800 1.000 O8 O -3.29500 -3.90100 0.55200 1.000 O9 O -2.78200 -2.45800 2.15900 1.000 C10 C -0.59100 2.37600 -0.15100 1.000 B11 B -0.24300 3.86300 0.21300 1.000 O12 O -1.15500 4.90400 -0.10600 1.000 O13 O 0.98300 4.16700 0.86100 1.000 C14 C 1.20700 0.79300 0.29500 1.000 O15 O 1.57400 0.93100 -0.85300 1.000 C16 C 1.95200 -0.13700 1.21800 1.000 C17 C 3.10200 -0.76700 0.47400 1.000 C18 C 4.33600 -0.26700 0.40100 1.000 C19 C 5.22900 -1.02300 -0.34000 1.000 C20 C 4.71900 -2.13700 -0.86800 1.000 S21 S 3.02300 -2.27800 -0.42200 1.000 N22 N 0.13300 1.47200 0.74600 1.000 H23 H -3.35100 -2.77600 -1.69600 1.000 H24 H -2.37000 -0.08200 1.49500 1.000 H25 H -2.63700 2.88600 -0.59100 1.000 H26 H -2.37300 2.26000 1.05400 1.000 H27 H -3.16700 -0.92300 -3.30200 1.000 H28 H -2.59500 1.33800 -2.51800 1.000 H29 H -3.35300 -4.59400 1.22400 1.000 H30 H -0.29900 2.17600 -1.18200 1.000 H31 H -0.85400 5.78500 0.15700 1.000 H32 H 1.10800 5.10900 1.04400 1.000 H33 H 2.33500 0.42500 2.06900 1.000 H34 H 1.27700 -0.91700 1.57100 1.000 H35 H 4.61800 0.65800 0.88200 1.000 H36 H 6.25900 -0.73200 -0.48000 1.000 H37 H 5.26500 -2.84500 -1.47300 1.000 H38 H -0.16000 1.36100 1.66400 1.000