# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '09S' 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 -2.93300 0.75000 0.69900 1.000 C1 C -4.17000 1.43300 0.17300 1.000 N2 N -5.40200 0.71300 0.55400 1.000 C3 C -5.29000 -0.76000 0.45100 1.000 C4 C -4.55900 -1.20700 -0.78900 1.000 C5 C -3.06000 -1.37500 -0.45500 1.000 N6 N -2.41300 -0.13600 -0.36200 1.000 C7 C 1.65500 -0.71100 -0.00700 1.000 N8 N 0.82400 -1.73500 -0.01900 1.000 C9 C -0.47900 -1.57200 -0.13100 1.000 C10 C -1.03000 -0.30100 -0.24200 1.000 C11 C -0.18600 0.80500 -0.23400 1.000 C12 C 1.18100 0.59100 -0.10800 1.000 Br13 Br 3.51300 -1.01800 0.15700 1.000 O14 O 2.04500 1.64000 -0.09500 1.000 C15 C 1.48000 2.94700 -0.21500 1.000 C16 C 2.59700 3.99200 -0.18000 1.000 H17 H -2.18200 1.49600 0.95700 1.000 H18 H -3.18400 0.16100 1.58100 1.000 H19 H -4.21300 2.44600 0.57300 1.000 H20 H -4.11200 1.48400 -0.91400 1.000 H21 H -6.19600 1.05200 0.03200 1.000 H22 H -4.75800 -1.13300 1.32600 1.000 H23 H -6.29200 -1.18900 0.44200 1.000 H24 H -4.96600 -2.16000 -1.12900 1.000 H25 H -4.67700 -0.45900 -1.57200 1.000 H26 H -2.96300 -1.90000 0.49500 1.000 H27 H -2.58500 -1.96700 -1.23700 1.000 H28 H -1.12700 -2.43600 -0.13700 1.000 H29 H -0.58300 1.80600 -0.31900 1.000 H30 H 0.93900 3.02400 -1.15900 1.000 H31 H 0.79200 3.12300 0.61200 1.000 H32 H 2.16600 4.98900 -0.27200 1.000 H33 H 3.13700 3.91500 0.76300 1.000 H34 H 3.28400 3.81600 -1.00800 1.000