# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JBI' 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 -0.13600 -0.73200 -0.00700 1.000 F1 F -6.35600 0.07800 -0.29900 1.000 N2 N 2.17800 0.65700 -0.10300 1.000 O3 O 8.13400 1.42800 0.25700 1.000 C4 C -0.16000 0.67600 -0.05900 1.000 N5 N 1.03200 -1.35800 -0.01000 1.000 C6 C 1.05600 1.35800 -0.10800 1.000 N7 N -1.45100 -1.13500 0.03400 1.000 C8 C 2.16100 -0.66800 -0.05600 1.000 N9 N -1.46400 1.05600 -0.04900 1.000 C10 C -2.22700 -0.00700 0.00600 1.000 N11 N 3.36700 -1.35500 -0.05900 1.000 C12 C -1.93300 -2.51700 0.09500 1.000 N13 N -3.60700 0.00700 0.03200 1.000 C14 C 4.57400 -0.65000 0.02100 1.000 C15 C -4.29500 1.22400 -0.01100 1.000 C16 C -2.76400 -2.73000 1.37200 1.000 C17 C -4.18000 -3.13700 0.91300 1.000 C18 C -3.96500 -3.72600 -0.50400 1.000 C19 C -2.87200 -2.80200 -1.09600 1.000 C20 C -5.67600 1.23900 -0.17700 1.000 C21 C -6.35200 2.44500 -0.21900 1.000 C22 C -5.65600 3.63400 -0.09500 1.000 C23 C -4.28400 3.62100 0.07000 1.000 C24 C -3.60200 2.42000 0.11700 1.000 C25 C 4.66400 0.48700 0.81300 1.000 C26 C 5.85500 1.18100 0.89200 1.000 C27 C 6.96200 0.74400 0.17900 1.000 C28 C 6.87300 -0.39100 -0.61300 1.000 C29 C 5.68400 -1.09000 -0.68800 1.000 C30 C 9.23300 0.92100 -0.50300 1.000 H31 H 1.08100 2.43700 -0.14600 1.000 H32 H 3.37400 -2.32300 -0.11500 1.000 H33 H -1.08900 -3.20700 0.07900 1.000 H34 H -4.10000 -0.82700 0.08000 1.000 H35 H -2.32500 -3.52400 1.97500 1.000 H36 H -2.80900 -1.80500 1.94700 1.000 H37 H -4.59500 -3.89200 1.58100 1.000 H38 H -4.83300 -2.26500 0.87100 1.000 H39 H -3.61200 -4.75500 -0.44500 1.000 H40 H -4.88200 -3.66400 -1.09000 1.000 H41 H -3.31300 -1.87600 -1.46400 1.000 H42 H -2.33200 -3.31300 -1.89300 1.000 H43 H -7.42400 2.45800 -0.34800 1.000 H44 H -6.18600 4.57400 -0.12900 1.000 H45 H -3.74400 4.55200 0.16600 1.000 H46 H -2.53000 2.41200 0.25100 1.000 H47 H 3.80200 0.82800 1.36800 1.000 H48 H 5.92500 2.06600 1.50800 1.000 H49 H 7.73500 -0.73100 -1.16800 1.000 H50 H 5.61600 -1.97700 -1.30100 1.000 H51 H 10.10400 1.55800 -0.35200 1.000 H52 H 9.46400 -0.09300 -0.17600 1.000 H53 H 8.96900 0.91100 -1.56100 1.000