# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0BR' 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 -5.19900 -2.98600 -0.23100 1.000 O1 O -3.85800 -2.54600 -0.45100 1.000 C2 C -3.59400 -1.23300 -0.22400 1.000 C3 C -2.33000 -0.75300 -0.42300 1.000 C4 C -2.06000 0.60500 -0.19300 1.000 C5 C -4.62000 -0.38600 0.20700 1.000 C6 C -4.38700 0.93300 0.44300 1.000 C7 C -3.10000 1.46300 0.24300 1.000 N8 N -2.84600 2.75600 0.46400 1.000 C9 C -1.64700 3.25600 0.28500 1.000 C10 C -0.58100 2.46800 -0.14200 1.000 C11 C -0.77100 1.13700 -0.38600 1.000 C12 C 0.36600 0.26400 -0.85000 1.000 O13 O 1.34500 1.06900 -1.51000 1.000 C14 C 1.00400 -0.42600 0.35800 1.000 C15 C 1.71600 0.61700 1.22500 1.000 C16 C 3.20500 0.25700 1.30800 1.000 C17 C 3.33600 -1.14600 1.91400 1.000 C18 C 2.58000 -2.14000 1.02800 1.000 N19 N 1.97900 -1.42200 -0.10500 1.000 C20 C 3.01400 -0.79900 -0.94200 1.000 C21 C 3.78300 0.23300 -0.11200 1.000 C22 C 5.26300 -0.15300 -0.05700 1.000 C23 C 5.86400 -0.07000 -1.46200 1.000 H24 H -5.47300 -2.80800 0.80900 1.000 H25 H -5.87500 -2.43400 -0.88400 1.000 H26 H -5.27300 -4.05100 -0.44900 1.000 H27 H -1.54400 -1.41500 -0.75500 1.000 H28 H -5.61300 -0.78500 0.35400 1.000 H29 H -5.19100 1.57300 0.77500 1.000 H30 H -1.48200 4.30600 0.47400 1.000 H31 H 0.39600 2.90800 -0.28000 1.000 H32 H -0.01200 -0.48900 -1.54100 1.000 H33 H 1.72600 1.76200 -0.95400 1.000 H34 H 0.23000 -0.92000 0.94500 1.000 H35 H 1.60400 1.60400 0.77600 1.000 H36 H 1.28400 0.61700 2.22500 1.000 H37 H 3.73200 0.98300 1.92800 1.000 H38 H 4.38900 -1.42700 1.96100 1.000 H39 H 2.91100 -1.15200 2.91800 1.000 H40 H 3.27200 -2.89400 0.65400 1.000 H41 H 1.79500 -2.62200 1.61000 1.000 H42 H 3.70300 -1.56500 -1.29900 1.000 H43 H 2.54500 -0.30500 -1.79300 1.000 H44 H 3.67700 1.21900 -0.56600 1.000 H45 H 5.79200 0.53200 0.60500 1.000 H46 H 5.35900 -1.17100 0.32000 1.000 H47 H 6.91800 -0.34500 -1.42300 1.000 H48 H 5.33400 -0.75500 -2.12400 1.000 H49 H 5.76700 0.94800 -1.83900 1.000