# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JSS' 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 -0.13400 3.44500 -0.59900 1.000 O1 O -1.05400 2.50500 -0.03900 1.000 C2 C 1.28600 3.09900 -0.15000 1.000 N3 N 1.67300 1.79700 -0.71000 1.000 C4 C 3.03500 1.43100 -0.29900 1.000 C5 C 3.40100 0.07200 -0.90000 1.000 N6 N -4.48100 3.11500 0.76000 1.000 C7 C 4.79900 -0.30300 -0.47800 1.000 C8 C 4.99900 -1.02300 0.68400 1.000 C9 C 6.28300 -1.36800 1.07200 1.000 F10 F 6.48000 -2.07200 2.20800 1.000 C11 C 7.36400 -0.99200 0.29300 1.000 C12 C 7.16100 -0.27200 -0.86900 1.000 C13 C 5.87800 0.06700 -1.25700 1.000 N14 N -4.20800 -1.16800 0.60100 1.000 C15 C -3.09900 3.64700 0.64800 1.000 C16 C -3.07000 -1.03600 -0.05400 1.000 C17 C -2.41700 2.74000 -0.39900 1.000 C18 C -2.57200 -2.06800 -0.82300 1.000 C19 C -3.21400 1.42000 -0.36600 1.000 C20 C -3.28200 -3.25900 -0.90500 1.000 C21 C -4.31100 1.64000 0.69800 1.000 C22 C -4.47100 -3.36800 -0.20700 1.000 C23 C -4.91300 -2.28700 0.54900 1.000 N24 N -6.10700 -2.38300 1.25500 1.000 C25 C -2.30400 0.25900 0.03900 1.000 C26 C -2.76800 -4.40600 -1.73600 1.000 H27 H -0.19200 3.40600 -1.68700 1.000 H28 H -0.38900 4.44900 -0.25800 1.000 H29 H 1.97600 3.86500 -0.50300 1.000 H30 H 1.32200 3.05100 0.93900 1.000 H31 H 1.01200 1.08100 -0.45000 1.000 H32 H 3.73700 2.18600 -0.65300 1.000 H33 H 3.08300 1.37200 0.78900 1.000 H34 H 2.70000 -0.68300 -0.54600 1.000 H35 H 3.35400 0.13100 -1.98700 1.000 H36 H -4.90600 3.39400 1.63200 1.000 H37 H 4.15500 -1.31600 1.29100 1.000 H38 H 8.36600 -1.26000 0.59500 1.000 H39 H 8.00500 0.02200 -1.47600 1.000 H40 H 5.72100 0.62900 -2.16600 1.000 H41 H -3.11500 4.68000 0.30200 1.000 H42 H -2.58400 3.57400 1.60600 1.000 H43 H -2.47400 3.19400 -1.38800 1.000 H44 H -1.64000 -1.95100 -1.35600 1.000 H45 H -3.66400 1.22500 -1.33900 1.000 H46 H -3.98700 1.25400 1.66400 1.000 H47 H -5.24100 1.16300 0.38900 1.000 H48 H -5.04900 -4.28000 -0.24900 1.000 H49 H -6.41900 -1.63200 1.78300 1.000 H50 H -6.62700 -3.20100 1.22000 1.000 H51 H -1.96200 0.40600 1.06300 1.000 H52 H -1.44400 0.22100 -0.62900 1.000 H53 H -2.13300 -5.04400 -1.12100 1.000 H54 H -3.61000 -4.98700 -2.11300 1.000 H55 H -2.19100 -4.01800 -2.57500 1.000