# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BR' 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 9.43300 1.31600 0.46700 1.000 C1 C 7.96400 1.11200 0.19500 1.000 C2 C 7.43100 1.25300 -1.20700 1.000 C3 C 7.15200 0.81100 1.17800 1.000 C4 C 5.68400 0.60700 0.90500 1.000 C5 C 5.25500 -0.76700 1.42600 1.000 C6 C 3.78700 -0.97100 1.15400 1.000 C7 C 2.76000 -0.44400 2.12300 1.000 C8 C 3.40300 -1.60700 0.07500 1.000 C9 C 1.93700 -1.70500 -0.26100 1.000 C10 C 1.70200 -1.17700 -1.67700 1.000 C11 C 0.23600 -1.27500 -2.01200 1.000 C12 C -0.32900 -2.56200 -2.55500 1.000 C13 C -0.54800 -0.24100 -1.83200 1.000 C14 C -1.98800 -0.30100 -2.27200 1.000 C15 C -2.88300 0.05300 -1.11200 1.000 C16 C -3.24600 1.37000 -0.89400 1.000 O17 O -2.79900 2.34700 -1.72300 1.000 C18 C -4.08200 1.69100 0.19100 1.000 C19 C -4.47400 3.08100 0.43200 1.000 O20 O -4.07800 3.96000 -0.30500 1.000 C21 C -4.53700 0.67300 1.04000 1.000 C22 C -5.43300 1.00900 2.20500 1.000 C23 C -4.17000 -0.62200 0.81300 1.000 Cl24 Cl -4.73900 -1.87800 1.86900 1.000 C25 C -3.34700 -0.94300 -0.26400 1.000 O26 O -2.99000 -2.23400 -0.48000 1.000 H27 H 9.61700 2.36500 0.69800 1.000 H28 H 9.73400 0.69900 1.31400 1.000 H29 H 10.00800 1.03100 -0.41400 1.000 H30 H 8.24900 1.50400 -1.88300 1.000 H31 H 6.97700 0.31300 -1.52000 1.000 H32 H 6.68300 2.04500 -1.23300 1.000 H33 H 7.53400 0.71000 2.18300 1.000 H34 H 5.10900 1.38300 1.41100 1.000 H35 H 5.50200 0.66100 -0.16800 1.000 H36 H 5.83000 -1.54300 0.92000 1.000 H37 H 5.43700 -0.82200 2.49900 1.000 H38 H 3.26400 -0.02800 2.99600 1.000 H39 H 2.17000 0.33500 1.63900 1.000 H40 H 2.10400 -1.25600 2.43500 1.000 H41 H 4.13700 -2.06100 -0.57400 1.000 H42 H 1.62000 -2.74700 -0.20400 1.000 H43 H 1.36100 -1.11100 0.44900 1.000 H44 H 2.01800 -0.13500 -1.73300 1.000 H45 H 2.27700 -1.77000 -2.38700 1.000 H46 H 0.44800 -3.32700 -2.55600 1.000 H47 H -1.15900 -2.88800 -1.92800 1.000 H48 H -0.68300 -2.40300 -3.57300 1.000 H49 H -0.16200 0.65600 -1.36900 1.000 H50 H -2.15000 0.40700 -3.08500 1.000 H51 H -2.22100 -1.30900 -2.61600 1.000 H52 H -3.38000 2.51900 -2.47700 1.000 H53 H -5.11600 3.32500 1.26600 1.000 H54 H -6.47500 0.96000 1.88700 1.000 H55 H -5.26500 0.29400 3.01000 1.000 H56 H -5.20800 2.01500 2.55900 1.000 H57 H -3.59800 -2.72000 -1.05300 1.000