# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9EC' 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 -3.29300 -0.11600 -0.15700 1.000 C1 C -3.27100 1.35800 -0.06800 1.000 C2 C -3.90800 2.19900 -0.90800 1.000 C3 C -3.73800 3.53800 -0.62300 1.000 C4 C -2.97000 3.79700 0.43900 1.000 C5 C 0.19200 -0.80800 0.53700 1.000 C6 C -2.09600 -0.84300 -0.11400 1.000 C7 C -2.12700 -2.22700 -0.19100 1.000 C8 C -3.33600 -2.88700 -0.31100 1.000 C9 C -4.52300 -2.17200 -0.35500 1.000 C10 C -4.50700 -0.79300 -0.27800 1.000 C11 C 2.49900 -0.94800 1.13400 1.000 C12 C 3.18000 -1.79000 0.05100 1.000 C13 C 3.84100 -0.85000 -0.96900 1.000 C14 C 2.80700 0.23500 -1.35200 1.000 C15 C 3.01000 1.35800 -0.31300 1.000 C16 C 5.75900 0.62500 -1.20400 1.000 C17 C 5.71300 -1.01100 0.57200 1.000 C18 C 4.13500 0.84200 0.61300 1.000 C19 C 3.50900 0.03300 1.73700 1.000 F20 F -5.69800 -2.82700 -0.47200 1.000 N21 N -0.87300 -0.17400 0.00700 1.000 N22 N 4.90700 -0.10100 -0.25200 1.000 O23 O 0.06500 -1.92100 1.00700 1.000 O24 O 1.39700 -0.20600 0.54700 1.000 O25 O 3.29500 1.53100 -1.70300 1.000 S26 S -2.41400 2.29000 1.15300 1.000 H27 H -4.50400 1.85100 -1.73900 1.000 H28 H -4.19200 4.31900 -1.21400 1.000 H29 H -2.73000 4.78400 0.80600 1.000 H30 H -1.20600 -2.78900 -0.15900 1.000 H31 H -3.35500 -3.96500 -0.37200 1.000 H32 H -5.43400 -0.23900 -0.30800 1.000 H33 H 2.11800 -1.60400 1.91700 1.000 H34 H 3.93900 -2.42600 0.50700 1.000 H35 H 2.43700 -2.41100 -0.45000 1.000 H36 H 4.21600 -1.38700 -1.84000 1.000 H37 H 1.82900 -0.09300 -1.70400 1.000 H38 H 2.17800 1.89400 0.14300 1.000 H39 H 6.19300 -0.07900 -1.91400 1.000 H40 H 5.15800 1.36000 -1.74100 1.000 H41 H 6.55600 1.13400 -0.66300 1.000 H42 H 6.50400 -0.44800 1.06800 1.000 H43 H 5.07700 -1.48100 1.32200 1.000 H44 H 6.15600 -1.77900 -0.06200 1.000 H45 H 4.75400 1.65700 0.98900 1.000 H46 H 2.99800 0.70400 2.42700 1.000 H47 H 4.28300 -0.52100 2.26800 1.000 H48 H -0.79200 0.74600 -0.29000 1.000