# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J91' 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 5.06100 -0.60700 -0.83600 1.000 C1 C 2.76700 3.62100 1.80500 1.000 C2 C 2.96800 2.33400 2.26800 1.000 C3 C 2.44700 3.83900 0.47700 1.000 C4 C 2.33300 2.76900 -0.39200 1.000 C5 C 2.64000 -0.82400 -0.28300 1.000 C6 C 3.92800 -1.37600 -0.28900 1.000 C7 C 4.13300 -2.65900 0.22600 1.000 C8 C 3.07300 -3.37600 0.73600 1.000 C9 C 1.79900 -2.83200 0.74200 1.000 C10 C 1.57900 -1.55900 0.24100 1.000 C11 C 2.54100 1.47500 0.07100 1.000 C12 C 2.85000 1.26000 1.40600 1.000 C13 C -0.78600 -1.82200 0.18600 1.000 C14 C -2.13600 -1.24500 0.09700 1.000 C15 C -2.31500 0.15400 -0.05300 1.000 C16 C -4.64800 -0.13600 -0.07200 1.000 C17 C -4.52600 -1.48100 0.06600 1.000 C18 C -3.26200 -2.06400 0.15400 1.000 C19 C -6.02200 0.47600 -0.16300 1.000 F20 F -6.98800 -0.53300 -0.08400 1.000 F21 F -6.20200 1.37800 0.89100 1.000 F22 F -6.15200 1.15000 -1.38200 1.000 F23 F 2.02000 2.98100 -1.68900 1.000 N24 N 0.28900 -1.01300 0.25700 1.000 N25 N -3.55800 0.66500 -0.13200 1.000 O26 O 2.42900 0.42100 -0.78000 1.000 O27 O 4.87900 0.50800 -1.28200 1.000 O28 O 6.29900 -1.13800 -0.83500 1.000 O29 O -0.64000 -3.03000 0.19600 1.000 O30 O -1.34600 0.89200 -0.10900 1.000 H31 H 2.85600 4.45700 2.48200 1.000 H32 H 3.21800 2.16800 3.30600 1.000 H33 H 2.28600 4.84400 0.11900 1.000 H34 H 5.12400 -3.09000 0.22300 1.000 H35 H 3.23500 -4.36700 1.13200 1.000 H36 H 0.97400 -3.40200 1.14400 1.000 H37 H 3.01200 0.25600 1.76800 1.000 H38 H -5.41000 -2.10100 0.10800 1.000 H39 H -3.15800 -3.13400 0.26200 1.000 H40 H 0.17000 -0.05200 0.31900 1.000 H41 H 7.01000 -0.59700 -1.20400 1.000 H42 H -3.67500 1.62300 -0.23500 1.000