# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J6A' 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 -6.46800 -0.17300 0.17000 1.000 C1 C -7.87200 -0.12900 -0.43400 1.000 C2 C -8.64600 -1.38200 -0.01900 1.000 C3 C -7.91100 -2.62500 -0.52400 1.000 C4 C -6.50600 -2.66900 0.08000 1.000 C5 C -5.73300 -1.41600 -0.33600 1.000 C6 C -4.32800 -1.46000 0.26900 1.000 C7 C -3.52600 -0.28900 -0.23900 1.000 O8 O -4.02900 0.50200 -1.00800 1.000 N9 N -2.25100 -0.12200 0.16200 1.000 C10 C -1.47100 1.01600 -0.33200 1.000 C11 C -1.74700 2.22400 0.52600 1.000 O12 O -2.51900 2.14300 1.45800 1.000 N13 N -1.13600 3.39500 0.25700 1.000 O14 O -1.39600 4.53000 1.06300 1.000 C15 C -0.00300 0.68300 -0.27200 1.000 C16 C 0.50200 -0.01700 0.80900 1.000 C17 C 1.84500 -0.32500 0.86900 1.000 C18 C 0.83500 1.07400 -1.30100 1.000 C19 C 2.18100 0.77100 -1.25100 1.000 C20 C 2.69500 0.07100 -0.16200 1.000 C21 C 4.14100 -0.25800 -0.10300 1.000 C22 C 4.99000 0.13900 -1.13500 1.000 C23 C 6.33600 -0.16900 -1.07700 1.000 F24 F 7.15900 0.21600 -2.07600 1.000 C25 C 6.84200 -0.87100 0.00700 1.000 F26 F 8.15900 -1.16900 0.06000 1.000 C27 C 6.00000 -1.26700 1.03500 1.000 F28 F 6.49800 -1.95100 2.08900 1.000 C29 C 4.65400 -0.95800 0.98700 1.000 H30 H -5.91700 0.72000 -0.12600 1.000 H31 H -6.54100 -0.21100 1.25700 1.000 H32 H -8.39500 0.75700 -0.07400 1.000 H33 H -7.79900 -0.09100 -1.52100 1.000 H34 H -8.71900 -1.42000 1.06800 1.000 H35 H -9.64600 -1.35100 -0.44900 1.000 H36 H -8.46200 -3.51800 -0.22800 1.000 H37 H -7.83800 -2.58800 -1.61100 1.000 H38 H -6.58000 -2.70700 1.16700 1.000 H39 H -5.98300 -3.55500 -0.28000 1.000 H40 H -5.66000 -1.37800 -1.42200 1.000 H41 H -4.39800 -1.40800 1.35500 1.000 H42 H -3.83700 -2.38900 -0.02000 1.000 H43 H -1.84900 -0.75400 0.77700 1.000 H44 H -1.75300 1.23000 -1.36200 1.000 H45 H -0.51900 3.46100 -0.48800 1.000 H46 H -0.91200 5.32300 0.79400 1.000 H47 H -0.15800 -0.32400 1.60800 1.000 H48 H 2.23800 -0.87200 1.71400 1.000 H49 H 0.43500 1.61600 -2.14500 1.000 H50 H 2.83400 1.07600 -2.05600 1.000 H51 H 4.59600 0.68500 -1.97900 1.000 H52 H 4.00000 -1.26300 1.79000 1.000