# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9E5' 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 6.12300 0.22300 0.00100 1.000 C1 C 4.74200 0.43600 0.00100 1.000 C2 C 3.89400 1.62700 0.00100 1.000 C3 C 3.45400 -3.13800 0.00100 1.000 C4 C 2.61300 1.17700 0.00100 1.000 C5 C 3.85900 -0.66000 0.00100 1.000 C6 C 4.38000 -1.94900 0.00100 1.000 C7 C 1.41700 2.03100 0.00100 1.000 C8 C 6.61100 -1.05300 -0.00500 1.000 O9 O -5.96300 -1.81100 1.24900 1.000 S10 S -5.94600 -1.13600 -0.00100 1.000 O11 O -5.96200 -1.81200 -1.25000 1.000 N12 N -7.25400 -0.12000 -0.00200 1.000 C13 C -4.50200 -0.12600 -0.00000 1.000 C14 C -3.93500 0.27000 1.19700 1.000 C15 C -2.80300 1.06300 1.19700 1.000 C16 C -3.93100 0.26500 -1.19700 1.000 C17 C -2.79900 1.05800 -1.19700 1.000 C18 C -2.23700 1.45900 -0.00000 1.000 C19 C -1.00200 2.32400 0.00000 1.000 N20 N 0.19000 1.47300 0.00100 1.000 O21 O 1.53400 3.24200 0.00100 1.000 C22 C 4.35000 3.06400 0.00200 1.000 O23 O 2.60400 -0.17200 0.00100 1.000 C24 C 5.74500 -2.13800 0.00000 1.000 C25 C 6.30400 -3.53800 -0.00000 1.000 H26 H 6.80100 1.06300 0.00100 1.000 H27 H 3.23000 -3.42400 -1.02700 1.000 H28 H 3.93200 -3.97200 0.51400 1.000 H29 H 2.52900 -2.87800 0.51500 1.000 H30 H 7.67900 -1.21900 -0.00600 1.000 H31 H -7.89500 -0.15400 0.72600 1.000 H32 H -7.37900 0.50900 -0.72900 1.000 H33 H -4.37800 -0.03900 2.13200 1.000 H34 H -2.36100 1.37300 2.13200 1.000 H35 H -4.37100 -0.04900 -2.13300 1.000 H36 H -2.35400 1.36400 -2.13300 1.000 H37 H -0.99900 2.95300 -0.89000 1.000 H38 H -1.00000 2.95300 0.89000 1.000 H39 H 0.09700 0.50700 0.00100 1.000 H40 H 4.46000 3.41000 -1.02600 1.000 H41 H 3.61200 3.67900 0.51600 1.000 H42 H 5.30800 3.14100 0.51600 1.000 H43 H 6.43900 -3.87500 -1.02800 1.000 H44 H 7.26500 -3.54500 0.51300 1.000 H45 H 5.61200 -4.20500 0.51300 1.000