# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9FS' 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 -2.29900 1.91100 -0.14900 1.000 C1 C 1.11700 -0.74500 -0.03700 1.000 C2 C 0.24300 0.28500 -0.03500 1.000 C3 C -4.70800 0.63200 0.02300 1.000 C4 C -1.05800 -0.25300 -0.05200 1.000 C5 C -2.32400 0.52300 -0.05700 1.000 C6 C -3.55700 -0.13200 0.03100 1.000 C7 C -4.60400 2.01600 -0.07600 1.000 C8 C 0.48000 -4.00600 1.17700 1.000 C9 C 0.50300 -3.98300 -1.32100 1.000 C10 C 0.96400 -3.24900 -0.06100 1.000 N11 N 0.40700 -1.89400 -0.05400 1.000 N12 N -0.95400 -1.56500 -0.06300 1.000 N13 N -3.42100 2.60500 -0.15400 1.000 N14 N -5.75800 2.79100 -0.09600 1.000 C15 C -6.06000 -0.02700 0.11000 1.000 F16 F -6.73500 0.43900 1.24300 1.000 F17 F -6.80400 0.28000 -1.03500 1.000 F18 F -5.89800 -1.41400 0.20200 1.000 C19 C 2.62000 -0.63200 -0.02700 1.000 C20 C 3.24400 0.53800 -0.78900 1.000 C21 C 3.23500 0.53100 0.75300 1.000 C22 C 4.72000 0.42800 1.16200 1.000 N23 N 5.46800 0.96700 -0.00300 1.000 C24 C 4.72400 0.42400 -1.21400 1.000 C25 C 6.86000 0.49800 0.00300 1.000 C26 C 7.70900 1.08700 1.14500 1.000 O27 O 8.73300 1.25600 0.14500 1.000 C28 C 7.78500 1.28600 -0.94400 1.000 H29 H -1.35200 2.42600 -0.21300 1.000 H30 H 0.49800 1.33500 -0.02300 1.000 H31 H -3.60800 -1.20800 0.10400 1.000 H32 H -0.60900 -4.06100 1.16600 1.000 H33 H 0.89400 -5.01400 1.17100 1.000 H34 H 0.80900 -3.48300 2.07500 1.000 H35 H -0.58600 -4.03800 -1.33200 1.000 H36 H 0.84800 -3.44300 -2.20300 1.000 H37 H 0.91700 -4.99100 -1.32700 1.000 H38 H 2.05300 -3.19400 -0.05100 1.000 H39 H -6.62800 2.36600 -0.04000 1.000 H40 H -5.69300 3.75600 -0.16500 1.000 H41 H 3.16200 -1.57800 -0.02800 1.000 H42 H 2.60300 1.20800 -1.36400 1.000 H43 H 2.58800 1.19500 1.32700 1.000 H44 H 4.90900 1.03500 2.04800 1.000 H45 H 4.99700 -0.61000 1.34500 1.000 H46 H 5.00400 -0.61300 -1.40000 1.000 H47 H 4.92800 1.03700 -2.09200 1.000 H48 H 6.94600 -0.58400 -0.09800 1.000 H49 H 7.32300 2.02500 1.54400 1.000 H50 H 7.96300 0.36600 1.92200 1.000 H51 H 8.10300 0.72400 -1.82200 1.000 H52 H 7.42100 2.28500 -1.18400 1.000