# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '954' 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 -5.97800 0.27400 0.56700 1.000 C1 C -4.72500 -0.12400 0.25300 1.000 C2 C -4.36100 -1.45400 0.34600 1.000 C3 C -5.36000 -2.48700 0.79900 1.000 N4 N -3.12400 -1.81100 0.03100 1.000 C5 C -3.76800 0.80000 -0.17800 1.000 S6 S -4.17600 2.50900 -0.32200 1.000 C7 C -2.59000 3.16200 -0.90000 1.000 N8 N -2.54600 0.37000 -0.47700 1.000 C9 C -2.23700 -0.91300 -0.37000 1.000 N10 N -0.95400 -1.32700 -0.68900 1.000 C11 C -0.30200 -1.96600 0.46900 1.000 C12 C 1.02000 -1.21800 0.72100 1.000 O13 O 2.16300 -2.59500 2.20800 1.000 N14 N 3.01800 -2.62800 0.19200 1.000 N15 N 4.04800 -2.36700 -1.89500 1.000 N16 N 1.91600 -1.46700 -1.54800 1.000 C17 C -0.12300 -0.18700 -1.12800 1.000 C18 C 1.30400 -0.50600 -0.61900 1.000 C19 C 2.13800 0.73600 -0.44000 1.000 C20 C 2.92600 1.26200 -1.38300 1.000 C21 C 3.59800 2.40400 -1.01300 1.000 C22 C 3.33200 2.79500 0.26900 1.000 S23 S 2.19700 1.66300 0.99100 1.000 C24 C 3.88800 3.94300 0.92000 1.000 N25 N 4.32900 4.85400 1.43600 1.000 C26 C 2.10500 -2.18600 1.06800 1.000 C27 C 4.01300 -3.61500 0.61700 1.000 C28 C 3.02900 -2.16100 -1.11200 1.000 H29 H -5.89100 -2.88300 -0.06600 1.000 H30 H -4.83900 -3.29800 1.30800 1.000 H31 H -6.07300 -2.02700 1.48400 1.000 H32 H -1.81900 2.95200 -0.15900 1.000 H33 H -2.32400 2.68900 -1.84500 1.000 H34 H -2.67200 4.24000 -1.04400 1.000 H35 H -0.94500 -1.88800 1.34600 1.000 H36 H -0.10100 -3.01400 0.24900 1.000 H37 H 0.89500 -0.49100 1.52400 1.000 H38 H 4.81900 -2.85600 -1.56900 1.000 H39 H -0.12900 -0.11100 -2.21500 1.000 H40 H -0.48500 0.73900 -0.68100 1.000 H41 H 3.02900 0.82200 -2.36500 1.000 H42 H 4.26900 2.93800 -1.66900 1.000 H43 H 3.62600 -4.62000 0.44500 1.000 H44 H 4.93000 -3.47700 0.04500 1.000 H45 H 4.22400 -3.48500 1.67900 1.000 H46 H 1.55000 -1.61000 -2.43500 1.000