# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy F0 F -5.98600 1.65800 -0.55500 1.000 C1 C -4.59000 1.74900 -0.54000 1.000 F2 F -4.12500 1.99800 -1.83600 1.000 F3 F -4.20000 2.79400 0.30400 1.000 C4 C -4.00800 0.45300 -0.03700 1.000 C5 C -4.84500 -0.58800 0.32100 1.000 C6 C -4.31500 -1.77800 0.78300 1.000 C7 C -2.94700 -1.93100 0.88800 1.000 C8 C -2.63800 0.30400 0.06000 1.000 C9 C -2.10300 -0.88900 0.52900 1.000 N10 N -0.71500 -1.04100 0.63400 1.000 C11 C -0.13400 -0.75000 1.80500 1.000 O12 O -0.82900 -0.36600 2.72600 1.000 C13 C -0.03100 -1.48400 -0.46000 1.000 C14 C -0.78100 -1.78900 -1.73000 1.000 C15 C 1.31400 -1.65200 -0.42200 1.000 C16 C 2.02100 -2.10600 -1.54800 1.000 O17 O 1.43700 -2.30100 -2.59500 1.000 C18 C 3.50500 -2.35200 -1.45600 1.000 C19 C 2.02700 -1.33200 0.87600 1.000 N20 N 1.19400 -0.86700 1.99800 1.000 C21 C 3.06100 -0.27400 0.58900 1.000 C22 C 2.67100 1.00500 0.23000 1.000 N23 N 3.56400 1.93800 -0.02300 1.000 C24 C 4.86700 1.69400 0.05500 1.000 C25 C 5.80400 2.74000 -0.22800 1.000 N26 N 6.54700 3.57000 -0.45300 1.000 C27 C 5.33100 0.42900 0.41200 1.000 C28 C 4.41200 -0.57100 0.68900 1.000 H29 H -5.91600 -0.47000 0.23900 1.000 H30 H -1.98500 1.11500 -0.22400 1.000 H31 H -4.97200 -2.58900 1.06200 1.000 H32 H -2.53300 -2.86100 1.24900 1.000 H33 H 1.59300 -0.65000 2.85500 1.000 H34 H -1.84900 -1.64300 -1.56600 1.000 H35 H -0.44100 -1.12300 -2.52300 1.000 H36 H -0.59700 -2.82400 -2.02100 1.000 H37 H 2.55200 -2.23000 1.20100 1.000 H38 H 3.70500 -3.08400 -0.67300 1.000 H39 H 3.87000 -2.73300 -2.41000 1.000 H40 H 4.01500 -1.41800 -1.21900 1.000 H41 H 1.62000 1.24000 0.15500 1.000 H42 H 4.74100 -1.55900 0.97200 1.000 H43 H 6.39100 0.23200 0.47500 1.000