# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9T9' 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 2.71100 1.17100 0.05800 1.000 C1 C 2.65300 -0.09100 -0.53000 1.000 C2 C 1.43300 -0.65600 -0.86600 1.000 C3 C 0.24700 0.02800 -0.62100 1.000 C4 C 0.31100 1.30100 -0.03300 1.000 C5 C 1.54700 1.86500 0.30600 1.000 O6 O -0.91600 -0.58400 -0.96500 1.000 C7 C -2.06500 0.13100 -0.96900 1.000 C8 C -2.13500 1.48100 -0.37100 1.000 C9 C -0.93100 2.07000 0.23300 1.000 C10 C -3.29000 -0.13200 -1.44100 1.000 N11 N -4.11600 0.93200 -1.18500 1.000 C12 C -3.42700 1.92100 -0.53400 1.000 O13 O -0.95000 3.09500 0.89200 1.000 C14 C -3.96900 3.21200 -0.09200 1.000 C15 C -3.69700 -1.40100 -2.14400 1.000 C16 C -4.07300 -2.44400 -1.12200 1.000 C17 C -5.38100 -2.54000 -0.68400 1.000 C18 C -5.72900 -3.49700 0.25500 1.000 C19 C -4.75800 -4.36100 0.75500 1.000 C20 C -3.45000 -4.26000 0.31100 1.000 C21 C -3.11100 -3.30500 -0.63000 1.000 O22 O -6.92400 -3.79600 0.84300 1.000 C23 C -6.59500 -4.57900 2.00600 1.000 O24 O -5.34500 -5.19900 1.65900 1.000 S25 S -3.06000 4.47200 0.73900 1.000 C26 C -4.50900 5.47300 0.79600 1.000 C27 C -5.50700 4.80000 0.20900 1.000 N28 N -5.20100 3.61300 -0.25600 1.000 F29 F 1.59800 3.08700 0.88100 1.000 N30 N 3.83000 -0.78900 -0.78200 1.000 C31 C 5.12300 -0.19700 -0.42900 1.000 C32 C 6.24700 -1.16300 -0.80800 1.000 N33 N 7.54300 -0.56900 -0.45500 1.000 C34 C 8.65200 -1.35500 -1.01500 1.000 C35 C 9.97800 -0.66100 -0.69300 1.000 N36 N 10.11500 -0.52400 0.76400 1.000 C37 C 9.00600 0.26100 1.32300 1.000 C38 C 7.68000 -0.43200 1.00100 1.000 C39 C 10.20600 -1.84100 1.41000 1.000 H40 H 3.66500 1.60200 0.32200 1.000 H41 H 1.40300 -1.63500 -1.32100 1.000 H42 H -5.05300 0.97800 -1.43000 1.000 H43 H -4.55200 -1.20000 -2.78900 1.000 H44 H -2.86500 -1.76600 -2.74600 1.000 H45 H -6.13100 -1.86800 -1.07400 1.000 H46 H -2.69500 -4.92800 0.69800 1.000 H47 H -2.09000 -3.22700 -0.97500 1.000 H48 H -6.47300 -3.93600 2.87800 1.000 H49 H -4.58000 6.46000 1.22900 1.000 H50 H -6.50200 5.21000 0.12100 1.000 H51 H 3.79400 -1.66800 -1.19000 1.000 H52 H 5.25200 0.74100 -0.97000 1.000 H53 H 5.15500 -0.00500 0.64300 1.000 H54 H 6.11700 -2.10100 -0.26800 1.000 H55 H 6.21500 -1.35400 -1.88100 1.000 H56 H 8.64800 -2.35300 -0.57700 1.000 H57 H 8.53400 -1.43100 -2.09500 1.000 H58 H 10.80400 -1.25700 -1.08200 1.000 H59 H 9.99300 0.32600 -1.15400 1.000 H60 H 9.12300 0.33800 2.40400 1.000 H61 H 9.01000 1.25900 0.88500 1.000 H62 H 6.85400 0.16300 1.39000 1.000 H63 H 7.66500 -1.42000 1.46200 1.000 H64 H 11.07500 -2.37500 1.02600 1.000 H65 H 10.30700 -1.71000 2.48700 1.000 H66 H 9.30400 -2.41400 1.19600 1.000 H67 H -7.36300 -5.33100 2.19000 1.000