# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J99' 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 -2.36800 2.00300 1.41900 1.000 F1 F -6.61400 -0.90700 -0.73400 1.000 N2 N 1.43800 3.11900 0.72500 1.000 O3 O -1.59400 1.99000 -0.91700 1.000 C4 C -2.64800 1.65000 -0.03200 1.000 N5 N -0.43800 4.42700 0.16900 1.000 O6 O -0.44200 -1.61500 -1.00300 1.000 C7 C -0.34200 2.08200 -0.40100 1.000 N8 N 4.15500 -1.76100 -0.28100 1.000 C9 C 0.44200 0.94700 -0.55300 1.000 N10 N 3.10400 -2.46600 0.30100 1.000 C11 C 1.68600 0.87500 0.05100 1.000 N12 N -0.38300 -1.25000 1.14200 1.000 C13 C 2.16100 2.01600 0.70800 1.000 C14 C 0.22900 3.20600 0.18200 1.000 C15 C 2.46100 -0.38800 0.05300 1.000 C16 C 3.77900 -0.52400 -0.42400 1.000 C17 C 3.11500 -3.89500 0.62300 1.000 C18 C 2.06300 -1.60200 0.52800 1.000 C19 C 0.82700 -2.07700 1.21700 1.000 C20 C -0.84400 -0.56000 2.35100 1.000 C21 C -1.05900 -1.21100 -0.03300 1.000 C22 C -2.49200 -0.94600 -0.18300 1.000 C23 C -3.23400 -2.13000 -0.41600 1.000 C24 C -4.58900 -2.13700 -0.59100 1.000 C25 C -5.27500 -0.93200 -0.56000 1.000 C26 C -4.57100 0.23300 -0.36100 1.000 C27 C -3.18000 0.25600 -0.18400 1.000 C28 C 4.62000 0.57900 -1.02100 1.000 C29 C 5.94700 0.90700 -0.33400 1.000 C30 C 5.94200 0.18100 -1.68100 1.000 H31 H -2.34100 3.08800 1.53100 1.000 H32 H -3.15400 1.59300 2.05200 1.000 H33 H -1.40600 1.58400 1.71600 1.000 H34 H -3.50800 2.31800 -0.32900 1.000 H35 H -1.31000 4.49800 -0.24900 1.000 H36 H -0.03100 5.20600 0.57900 1.000 H37 H 0.10900 0.16800 -1.22200 1.000 H38 H 3.11800 1.98500 1.20700 1.000 H39 H 3.49200 -4.03700 1.63600 1.000 H40 H 2.10200 -4.29100 0.55400 1.000 H41 H 3.75900 -4.42100 -0.08200 1.000 H42 H 1.06200 -2.20700 2.28600 1.000 H43 H 0.56300 -3.07300 0.84000 1.000 H44 H -1.82300 -0.11900 2.16700 1.000 H45 H -0.91600 -1.27400 3.17100 1.000 H46 H -0.13500 0.22500 2.61300 1.000 H47 H -2.68600 -3.06500 -0.45300 1.000 H48 H -5.12300 -3.05900 -0.75000 1.000 H49 H -5.09200 1.18100 -0.34000 1.000 H50 H 4.06500 1.40600 -1.46500 1.000 H51 H 6.26500 1.94900 -0.32600 1.000 H52 H 6.21300 0.32700 0.55000 1.000 H53 H 6.20500 -0.87700 -1.68300 1.000 H54 H 6.25700 0.74500 -2.55800 1.000