# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JED' 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 -0.68000 0.94300 -0.06800 1.000 C1 C -1.71300 1.89900 -0.14000 1.000 C2 C -3.32100 0.23900 -0.00500 1.000 O3 O -0.01100 -2.53900 -0.67800 1.000 O4 O 0.96100 -1.33200 0.91100 1.000 C5 C -7.06900 0.52000 -0.01500 1.000 C6 C -5.73400 0.86600 -0.04600 1.000 C7 C -8.90000 -1.18000 0.13000 1.000 C8 C 0.57900 1.68500 -0.13000 1.000 C9 C 1.94200 1.10400 -0.08900 1.000 C10 C 2.25100 -0.01000 -0.86800 1.000 C11 C 3.52200 -0.54700 -0.82600 1.000 C12 C 4.48800 0.01800 -0.01200 1.000 C13 C 4.18600 1.12300 0.76400 1.000 C14 C 2.92000 1.67200 0.72500 1.000 C15 C -7.44000 -0.80800 0.09600 1.000 C16 C -2.35700 -0.76900 0.08200 1.000 C17 C -1.00900 -0.42400 0.04600 1.000 C18 C 0.04500 -1.45800 0.12400 1.000 C19 C -4.75700 -0.12600 0.02900 1.000 C20 C -5.13700 -1.46300 0.13500 1.000 C21 C -6.47500 -1.79700 0.17600 1.000 N22 N -2.98000 1.51300 -0.10600 1.000 N23 N -1.10700 3.12500 -0.23900 1.000 N24 N 0.28100 2.95900 -0.23000 1.000 Br25 Br 6.22700 -0.72400 0.04100 1.000 H26 H 0.70100 -3.18800 -0.59000 1.000 H27 H -7.82600 1.28800 -0.07200 1.000 H28 H -5.44500 1.90300 -0.12900 1.000 H29 H -9.25000 -1.18500 1.16200 1.000 H30 H -9.47300 -0.45300 -0.44500 1.000 H31 H -9.03300 -2.17100 -0.30300 1.000 H32 H 1.49800 -0.45200 -1.50400 1.000 H33 H 3.76300 -1.41000 -1.43000 1.000 H34 H 4.94300 1.56000 1.39900 1.000 H35 H 2.68600 2.53500 1.33100 1.000 H36 H -2.65400 -1.80400 0.16500 1.000 H37 H -4.38500 -2.23600 0.19400 1.000 H38 H -6.77000 -2.83200 0.26300 1.000 H39 H -1.57000 3.97500 -0.30500 1.000