# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NE' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -1.53300 0.11800 -0.71900 1.000 C1 C -1.99900 -0.73500 0.37700 1.000 C2 C -1.14000 -1.97100 0.45200 1.000 O3 O -0.23200 -2.12300 -0.33000 1.000 C4 C -3.45300 -1.13900 0.12600 1.000 C5 C -4.34400 0.10400 0.17500 1.000 C6 C -5.77600 -0.29400 -0.07200 1.000 O7 O -6.05600 -1.45400 -0.26700 1.000 O8 O -6.74100 0.63900 -0.07600 1.000 O9 O -1.38400 -2.90200 1.38700 1.000 S10 S -0.85300 1.59100 -0.38900 1.000 O11 O -0.54200 2.18000 -1.64500 1.000 O12 O -1.69100 2.21400 0.57400 1.000 C13 C 0.68600 1.28800 0.41200 1.000 C14 C 0.88800 1.71200 1.69000 1.000 C15 C 2.09900 1.48100 2.33900 1.000 C16 C 3.11500 0.82300 1.71400 1.000 C17 C 2.94300 0.37100 0.39800 1.000 C18 C 1.71000 0.60100 -0.26200 1.000 C19 C 1.53500 0.14400 -1.58000 1.000 C20 C 2.54400 -0.51900 -2.21000 1.000 C21 C 3.75700 -0.75600 -1.57000 1.000 C22 C 3.97400 -0.31400 -0.28200 1.000 N23 N 5.19200 -0.55500 0.34900 1.000 C24 C 5.46500 -1.99700 0.43300 1.000 C25 C 6.28600 0.14800 -0.33300 1.000 H26 H -1.62000 -0.18200 -1.63700 1.000 H27 H 5.50200 -2.41900 -0.57200 1.000 H28 H 6.42200 -2.15700 0.92900 1.000 H29 H 4.67400 -2.48300 1.00300 1.000 H30 H 6.09200 1.22100 -0.32000 1.000 H31 H 7.22600 -0.05700 0.18000 1.000 H32 H 6.35300 -0.19600 -1.36500 1.000 H33 H 0.09800 2.23600 2.20700 1.000 H34 H 2.23300 1.82800 3.35300 1.000 H35 H 4.04800 0.65100 2.23000 1.000 H36 H 0.60000 0.31800 -2.09200 1.000 H37 H 2.40000 -0.86700 -3.22200 1.000 H38 H 4.54200 -1.28500 -2.09200 1.000 H39 H -1.93100 -0.18800 1.31800 1.000 H40 H -3.53600 -1.60800 -0.85400 1.000 H41 H -3.77200 -1.84500 0.89400 1.000 H42 H -0.80600 -3.67800 1.39600 1.000 H43 H -4.26100 0.57200 1.15500 1.000 H44 H -4.02500 0.80900 -0.59300 1.000 H45 H -7.64500 0.33500 -0.23900 1.000