# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9K8' 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 6.12000 1.92900 1.73200 1.000 C1 C 5.02000 1.06000 1.17800 1.000 C2 C 3.76000 1.09700 1.74700 1.000 O3 O -2.16100 -0.71700 0.13300 1.000 O4 O -4.97300 -2.80000 0.67600 1.000 C5 C 5.27400 0.23200 0.09800 1.000 C6 C 1.92200 -1.39000 -0.38300 1.000 C7 C -0.31600 -2.22100 -0.41500 1.000 C8 C -1.63500 -2.04600 0.34000 1.000 C9 C -2.71300 -2.99100 -0.23700 1.000 C10 C -4.01500 -2.16100 -0.17000 1.000 C11 C -3.56900 -0.81300 0.44000 1.000 C12 C -3.90800 1.01400 -1.26800 1.000 C13 C -5.81800 1.84000 -0.66000 1.000 C14 C -5.51200 0.79500 0.22800 1.000 O15 O 2.14400 -2.12100 -1.32700 1.000 C16 C 3.00000 -0.53800 0.16000 1.000 C17 C 2.74900 0.30400 1.24500 1.000 C18 C 4.27300 -0.56600 -0.41400 1.000 S19 S 6.88100 0.19900 -0.62400 1.000 O20 O 7.60900 -0.81000 0.06300 1.000 O21 O 6.68800 0.19400 -2.03200 1.000 C22 C 6.19400 3.23000 0.93000 1.000 O23 O 0.69400 -1.35700 0.17000 1.000 O24 O -2.82800 -4.16800 0.56500 1.000 N25 N -4.30200 0.29400 -0.18000 1.000 N26 N -6.36400 0.50900 1.20700 1.000 C27 C -7.48100 1.19300 1.34600 1.000 N28 N -7.81100 2.18200 0.53600 1.000 C29 C -7.02200 2.54000 -0.47100 1.000 N30 N -7.37600 3.57900 -1.31400 1.000 N31 N -4.79800 1.92100 -1.54800 1.000 F32 F 7.59400 1.59700 -0.26800 1.000 H33 H 5.91000 2.15800 2.77700 1.000 H34 H 7.07100 1.40200 1.65900 1.000 H35 H 3.56700 1.74800 2.58700 1.000 H36 H -5.24200 -3.67800 0.37200 1.000 H37 H 0.00900 -3.25900 -0.34400 1.000 H38 H -0.45800 -1.95500 -1.46300 1.000 H39 H -1.49100 -2.23700 1.40300 1.000 H40 H -2.48000 -3.25200 -1.26900 1.000 H41 H -4.42600 -2.01400 -1.16800 1.000 H42 H -3.72300 -0.81500 1.51800 1.000 H43 H -2.98900 0.85800 -1.81400 1.000 H44 H 1.76600 0.33300 1.69100 1.000 H45 H 4.47200 -1.21100 -1.25700 1.000 H46 H 5.24300 3.75700 1.00300 1.000 H47 H 6.98900 3.85900 1.33100 1.000 H48 H 6.40300 3.00100 -0.11500 1.000 H49 H -3.49100 -4.79700 0.24900 1.000 H50 H -8.15100 0.93500 2.15200 1.000 H51 H -6.79100 3.83100 -2.04500 1.000 H52 H -8.21000 4.05500 -1.17300 1.000