# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CBR' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br0 Br -1.58500 -5.03500 0.25100 1.000 P1 P -3.96800 -1.66500 3.11800 1.000 O2 O -4.40600 -2.59900 4.20800 1.000 O3 O -3.91200 -2.31100 1.63600 1.000 O4 O -2.49300 -1.02800 3.31500 1.000 N5 N 1.16400 -2.04700 0.98900 1.000 C6 C 0.01000 -2.81300 0.93600 1.000 C7 C 2.34700 -2.52600 0.38100 1.000 O8 O 3.38800 -1.86800 0.41000 1.000 N9 N 2.31900 -3.75400 -0.25400 1.000 C10 C 1.22600 -4.47300 -0.30100 1.000 N11 N 1.26000 -5.68900 -0.94700 1.000 C12 C -0.04500 -4.00000 0.33000 1.000 C13 C 0.71000 0.36000 0.75400 1.000 C14 C -2.00500 -0.13600 2.32700 1.000 C15 C -0.61100 0.32800 2.72800 1.000 O16 O 0.24700 -0.82900 2.76400 1.000 C17 C 1.15700 -0.77800 1.65700 1.000 C18 C 0.00800 1.28600 1.72000 1.000 O19 O 0.96500 2.12100 2.36800 1.000 O20 O -4.90100 -0.36000 2.92000 1.000 H21 H -4.68400 -2.82300 1.31300 1.000 H22 H -0.85700 -2.37900 1.42500 1.000 H23 H 0.45600 -6.26500 -0.89700 1.000 H24 H 2.08800 -5.93300 -1.43300 1.000 H25 H -0.00300 -0.00100 0.00300 1.000 H26 H 1.55600 0.81800 0.23200 1.000 H27 H -1.97100 -0.65400 1.36600 1.000 H28 H -2.68300 0.71800 2.25400 1.000 H29 H -0.64400 0.75300 3.73600 1.000 H30 H 2.16300 -0.60400 2.05400 1.000 H31 H -0.72200 1.94100 1.23600 1.000 H32 H 0.73600 3.04300 2.15600 1.000 H33 H -5.87400 -0.47500 2.87100 1.000