# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9ST' 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 4.70500 -1.01600 0.52700 1.000 C1 C 5.82700 -1.81500 0.41800 1.000 C2 C 6.63200 -1.72900 -0.70300 1.000 C3 C 6.31400 -0.84300 -1.71500 1.000 C4 C 5.19100 -0.04400 -1.60700 1.000 C5 C 2.21100 3.40500 2.11300 1.000 N6 N 2.07500 2.45000 1.00500 1.000 C7 C 0.87100 1.62500 1.16600 1.000 C8 C 0.68200 0.74700 -0.07300 1.000 C9 C 1.91400 -0.14500 -0.25300 1.000 C10 C 3.16000 0.73700 -0.37000 1.000 C11 C 3.27600 1.61500 0.87700 1.000 C12 C 4.38400 -0.13400 -0.48800 1.000 N13 N -0.50800 -0.09000 0.09700 1.000 C14 C -1.75800 0.40900 -0.23000 1.000 C15 C -1.89200 1.72200 -0.72800 1.000 N16 N -3.06800 2.19400 -1.03600 1.000 N17 N -4.22000 1.41600 -0.88300 1.000 C18 C -5.52600 1.97500 -1.23900 1.000 C19 C -4.13800 0.15600 -0.41200 1.000 O20 O -5.14700 -0.52000 -0.28600 1.000 C21 C -2.88500 -0.37800 -0.07700 1.000 Br22 Br -2.74000 -2.14300 0.58600 1.000 H23 H 4.07700 -1.08300 1.40300 1.000 H24 H 6.07600 -2.50700 1.20900 1.000 H25 H 7.50900 -2.35300 -0.78700 1.000 H26 H 6.94500 -0.77200 -2.58900 1.000 H27 H 4.94300 0.64900 -2.39800 1.000 H28 H 2.35500 2.86000 3.04600 1.000 H29 H 3.07200 4.04900 1.93300 1.000 H30 H 1.30900 4.01300 2.18100 1.000 H31 H 0.97900 0.99200 2.04600 1.000 H32 H 0.00100 2.27100 1.28800 1.000 H33 H 0.55900 1.38000 -0.95200 1.000 H34 H 2.01400 -0.80500 0.60800 1.000 H35 H 1.80300 -0.74100 -1.15900 1.000 H36 H 3.07600 1.37000 -1.25400 1.000 H37 H 4.15500 2.25500 0.79100 1.000 H38 H 3.37400 0.98200 1.75900 1.000 H39 H -1.01600 2.34100 -0.85400 1.000 H40 H -5.39900 2.99600 -1.59900 1.000 H41 H -5.98000 1.36700 -2.02200 1.000 H42 H -6.17200 1.97700 -0.36000 1.000 H43 H -0.42100 -0.99400 0.43800 1.000