# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99J' 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 -3.94600 0.23000 0.74700 1.000 N1 N -2.12500 1.61400 -0.02900 1.000 C2 C -1.25300 0.55700 -0.19100 1.000 C3 C -0.95500 -1.71200 -0.49100 1.000 C4 C 1.59300 -2.38100 -0.65200 1.000 C5 C 4.07200 -2.05700 -0.68800 1.000 C6 C 4.55000 -2.50600 0.66900 1.000 C7 C 5.03700 -3.71200 0.82600 1.000 C8 C 0.91600 -0.19200 -0.36000 1.000 C9 C 3.15400 0.82400 -0.30300 1.000 C10 C 5.31500 1.63400 -0.26800 1.000 C11 C -9.57900 -1.93600 -0.69600 1.000 N12 N -10.00700 -0.77800 0.10100 1.000 C13 C -9.34600 -0.76900 1.41400 1.000 C14 C -7.83800 -0.58600 1.22200 1.000 N15 N -7.58800 0.67100 0.50100 1.000 C16 C -8.24900 0.66200 -0.81100 1.000 C17 C -9.75700 0.47900 -0.61900 1.000 C18 C -6.21600 0.90900 0.37000 1.000 C19 C -5.30100 -0.00300 0.88000 1.000 C20 C -3.49900 1.37600 0.10200 1.000 N21 N -1.75000 -0.66700 -0.33200 1.000 C22 C 0.42200 -1.50700 -0.50800 1.000 O23 O 1.58100 -3.58800 -0.80100 1.000 N24 N 2.68600 -1.59200 -0.58800 1.000 N25 N 2.29000 -0.26200 -0.41100 1.000 N26 N 0.05100 0.79800 -0.20600 1.000 N27 N 4.46200 0.63200 -0.36600 1.000 C28 C 4.86800 2.92900 -0.09400 1.000 C29 C 3.50300 3.17400 -0.02800 1.000 C30 C 2.63400 2.10300 -0.13400 1.000 C31 C 6.79500 1.36100 -0.34700 1.000 O32 O 7.12000 0.86900 -1.64800 1.000 C33 C 7.17800 0.31700 0.70400 1.000 F34 F 8.55200 0.06400 0.63100 1.000 F35 F 6.85900 0.79900 1.97800 1.000 F36 F 6.47200 -0.86700 0.46300 1.000 C37 C -4.41400 2.28500 -0.41300 1.000 C38 C -5.76800 2.05000 -0.28300 1.000 H39 H -3.23500 -0.47700 1.14700 1.000 H40 H -1.78600 2.52300 -0.00600 1.000 H41 H -1.36500 -2.70400 -0.60500 1.000 H42 H 4.70300 -1.24300 -1.04400 1.000 H43 H 4.12600 -2.89100 -1.38700 1.000 H44 H 4.49200 -1.83300 1.51200 1.000 H45 H 5.09500 -4.38400 -0.01700 1.000 H46 H 5.38000 -4.03300 1.79800 1.000 H47 H -8.51200 -1.85900 -0.90500 1.000 H48 H -9.77600 -2.85200 -0.13900 1.000 H49 H -10.13300 -1.95500 -1.63400 1.000 H50 H -9.73900 0.05200 2.01300 1.000 H51 H -9.53500 -1.71400 1.92200 1.000 H52 H -7.35000 -0.55000 2.19500 1.000 H53 H -7.44100 -1.42100 0.64500 1.000 H54 H -8.06000 1.60700 -1.32000 1.000 H55 H -7.85600 -0.15900 -1.41100 1.000 H56 H -10.24500 0.44300 -1.59300 1.000 H57 H -10.15400 1.31400 -0.04300 1.000 H58 H -5.64900 -0.89400 1.38100 1.000 H59 H 5.57400 3.74300 -0.01500 1.000 H60 H 3.12900 4.17800 0.10800 1.000 H61 H 1.56600 2.25800 -0.08700 1.000 H62 H 7.34400 2.28400 -0.15900 1.000 H63 H 6.66600 0.04800 -1.88300 1.000 H64 H -4.06600 3.17600 -0.91400 1.000 H65 H -6.48000 2.75900 -0.68000 1.000