# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95N' 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 -6.78800 1.26900 -0.31300 1.000 C1 C -5.20400 0.28300 -0.00300 1.000 C2 C -4.82000 -0.70700 -0.89000 1.000 C3 C -3.66200 -1.42700 -0.66300 1.000 C4 C -2.88800 -1.15800 0.45000 1.000 C5 C -3.27100 -0.16900 1.33700 1.000 C6 C -4.42600 0.55600 1.10700 1.000 C7 C -1.62600 -1.94400 0.69700 1.000 C8 C -0.44700 -1.24000 0.02300 1.000 N9 N 0.78300 -2.00600 0.26500 1.000 C10 C 0.72900 -3.31300 -0.40300 1.000 C11 C 1.96800 -1.24700 -0.16000 1.000 C12 C 3.22800 -2.07500 0.10600 1.000 C13 C 4.46200 -1.25600 -0.28100 1.000 N14 N 4.49400 -0.01600 0.50500 1.000 C15 C 3.31600 0.81700 0.23100 1.000 C16 C 2.04900 0.06000 0.63300 1.000 C17 C 5.66300 0.68600 0.27500 1.000 N18 N 6.00500 1.86300 0.83900 1.000 N19 N 7.26500 2.20200 0.31900 1.000 C20 C 7.60900 1.24300 -0.50500 1.000 N21 N 6.64000 0.32100 -0.52800 1.000 N22 N 8.79700 1.18700 -1.23500 1.000 H23 H -5.42500 -0.91700 -1.76000 1.000 H24 H -3.36300 -2.20000 -1.35500 1.000 H25 H -2.66600 0.04100 2.20600 1.000 H26 H -4.72200 1.33200 1.79800 1.000 H27 H -1.44400 -2.01100 1.77000 1.000 H28 H -1.73600 -2.94600 0.28400 1.000 H29 H -0.62800 -1.17300 -1.04900 1.000 H30 H -0.33700 -0.23700 0.43700 1.000 H31 H 0.61200 -3.16800 -1.47700 1.000 H32 H 1.65200 -3.85900 -0.20800 1.000 H33 H -0.11800 -3.88200 -0.01900 1.000 H34 H 1.89600 -1.02500 -1.22400 1.000 H35 H 3.27900 -2.33100 1.16500 1.000 H36 H 3.19600 -2.98800 -0.48800 1.000 H37 H 5.36100 -1.83700 -0.07900 1.000 H38 H 4.41700 -1.01200 -1.34200 1.000 H39 H 3.38500 1.74200 0.80400 1.000 H40 H 3.27700 1.05100 -0.83300 1.000 H41 H 1.17400 0.67300 0.41500 1.000 H42 H 2.08100 -0.16200 1.70000 1.000 H43 H 5.48300 2.37500 1.47700 1.000 H44 H 8.97400 0.43300 -1.81800 1.000 H45 H 9.44700 1.90300 -1.15700 1.000