# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9K5' 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 -3.06800 -0.57500 1.48600 1.000 C1 C -3.39900 0.14000 0.33300 1.000 C2 C -4.68700 0.04000 -0.19700 1.000 O3 O 1.73800 0.62800 0.12800 1.000 O4 O 4.42600 2.92000 0.38200 1.000 C5 C -0.21200 1.95700 -0.50300 1.000 C6 C 1.13500 1.93700 0.22400 1.000 C7 C 2.13600 2.88500 -0.47400 1.000 C8 C 3.48900 2.14500 -0.36800 1.000 C9 C 3.14500 0.83800 0.38000 1.000 C10 C 3.55500 -1.12200 -1.15600 1.000 C11 C 5.53100 -1.76400 -0.53600 1.000 C12 C 5.18000 -0.66200 0.26200 1.000 C13 C 7.19800 -0.82800 1.34900 1.000 C14 C 6.78200 -2.36700 -0.32100 1.000 O15 O -2.68200 1.62100 -1.32400 1.000 C16 C -2.39100 1.00000 -0.32100 1.000 C17 C -5.62200 -0.76300 0.42000 1.000 S18 S -7.24800 -0.89100 -0.24800 1.000 O19 O -7.21900 -1.97400 -1.16800 1.000 O20 O -8.14100 -0.83300 0.85500 1.000 C21 C -5.28800 -1.47000 1.56200 1.000 C22 C -4.01400 -1.37500 2.09200 1.000 O23 O -1.15000 1.09400 0.19300 1.000 O24 O 2.19700 4.13900 0.20900 1.000 N25 N 3.93000 -0.27700 -0.15400 1.000 N26 N 6.03700 -0.23100 1.18100 1.000 N27 N 7.57600 -1.86200 0.61800 1.000 N28 N 7.17900 -3.46100 -1.07000 1.000 N29 N 4.49400 -1.99500 -1.37600 1.000 H30 H -2.07200 -0.50600 1.89900 1.000 H31 H -4.94900 0.59100 -1.08800 1.000 H32 H 4.63100 3.77900 -0.01200 1.000 H33 H -0.60000 2.97600 -0.52100 1.000 H34 H -0.07900 1.60100 -1.52400 1.000 H35 H 1.00600 2.22000 1.26800 1.000 H36 H 1.86000 3.03000 -1.51800 1.000 H37 H 3.88300 1.92700 -1.36100 1.000 H38 H 3.32600 0.95200 1.44900 1.000 H39 H 2.61400 -1.07600 -1.68500 1.000 H40 H 7.87200 -0.45300 2.10500 1.000 H41 H -6.02400 -2.09800 2.04000 1.000 H42 H -3.75700 -1.93300 2.98100 1.000 H43 H 2.81000 4.77300 -0.18700 1.000 H44 H 6.59100 -3.82000 -1.75200 1.000 H45 H 8.04500 -3.86800 -0.91200 1.000 F46 F -7.51200 0.43800 -1.11800 1.000