# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96Y' 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 -1.87600 0.69700 -0.10300 1.000 C1 C -2.77700 -3.33800 -0.48000 1.000 C2 C -1.61000 2.05600 0.02600 1.000 C3 C -3.46900 -1.20000 -0.01900 1.000 C4 C -1.68700 -4.30300 -0.86900 1.000 C5 C -4.06000 -3.80300 -0.24700 1.000 N6 N -5.02100 -2.96100 0.09400 1.000 C7 C -4.76100 -1.67300 0.21500 1.000 N8 N -2.50500 -2.05200 -0.35600 1.000 C9 C -3.16900 0.24500 0.12100 1.000 C10 C -2.67100 2.91600 0.38700 1.000 C11 C -3.94200 2.37500 0.60000 1.000 N12 N -4.14500 1.08500 0.46100 1.000 C13 C -2.10400 4.25900 0.44700 1.000 N14 N -0.83900 4.17200 0.14700 1.000 N15 N -0.49700 2.84100 -0.11700 1.000 C16 C 0.77500 2.38500 -0.46900 1.000 C17 C 1.67200 3.25400 -1.07900 1.000 C18 C 2.93000 2.79000 -1.42300 1.000 C19 C 3.24800 1.46800 -1.14300 1.000 C20 C 2.30600 0.66100 -0.53400 1.000 N21 N 1.11700 1.13300 -0.21300 1.000 C22 C 2.64400 -0.77500 -0.22700 1.000 C23 C 3.55300 -1.33200 -1.32500 1.000 N24 N 3.90000 -2.72500 -1.01600 1.000 C25 C 4.64000 -2.82000 0.24900 1.000 C26 C 3.76400 -2.30700 1.39400 1.000 C27 C 3.37100 -0.85300 1.11800 1.000 F28 F 4.52100 -0.05700 1.07500 1.000 F29 F 2.52500 -0.39700 2.13400 1.000 H30 H -1.09200 0.00600 -0.37800 1.000 H31 H -1.65400 -4.39600 -1.95400 1.000 H32 H -0.72800 -3.93300 -0.50700 1.000 H33 H -1.89000 -5.27800 -0.42600 1.000 H34 H -4.27700 -4.85600 -0.34500 1.000 H35 H -5.54600 -0.98600 0.49400 1.000 H36 H -4.76200 3.02200 0.87600 1.000 H37 H -2.63900 5.16400 0.69400 1.000 H38 H 1.39200 4.27700 -1.28300 1.000 H39 H 3.64800 3.44100 -1.89800 1.000 H40 H 4.22000 1.07400 -1.39800 1.000 H41 H 1.72700 -1.36300 -0.18000 1.000 H42 H 3.03300 -1.29100 -2.28300 1.000 H43 H 4.46300 -0.73500 -1.38100 1.000 H44 H 3.07600 -3.30700 -0.99700 1.000 H45 H 4.91000 -3.85900 0.43500 1.000 H46 H 5.54500 -2.21600 0.18500 1.000 H47 H 2.86500 -2.92000 1.46600 1.000 H48 H 4.31900 -2.36400 2.33000 1.000