# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2NS' 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 5.21000 3.44900 1.34200 1.000 O1 O 5.64200 2.23400 0.72600 1.000 C2 C 4.67400 1.38600 0.28700 1.000 C3 C 3.33700 1.72100 0.44000 1.000 C4 C 5.02400 0.18700 -0.32200 1.000 O5 O 6.33700 -0.14100 -0.47700 1.000 C6 C 6.95200 -0.87500 0.58400 1.000 C7 C 4.03400 -0.67900 -0.77100 1.000 O8 O 4.37600 -1.85300 -1.36600 1.000 C9 C 3.30600 -2.69400 -1.80400 1.000 C10 C 2.69800 -0.34500 -0.61200 1.000 C11 C 2.34900 0.85600 -0.00900 1.000 N12 N 0.99900 1.19400 0.14600 1.000 C13 C 0.05600 0.20500 0.31400 1.000 O14 O -1.27300 0.40600 0.35400 1.000 N15 N 0.32100 -1.06900 0.45100 1.000 C16 C -0.85200 -1.74600 0.59400 1.000 C17 C -1.17000 -3.09400 0.77200 1.000 C18 C -2.48900 -3.48100 0.88800 1.000 C19 C -3.50500 -2.54400 0.83000 1.000 C20 C -3.20700 -1.19500 0.65300 1.000 C21 C -1.87600 -0.79200 0.53100 1.000 C22 C -4.29800 -0.19300 0.59000 1.000 C23 C -4.52800 0.52400 -0.58900 1.000 N24 N -3.93600 0.53700 -1.83400 1.000 C25 C -4.59900 1.45600 -2.58800 1.000 N26 N -5.55100 2.00200 -1.88900 1.000 C27 C -5.56300 1.47000 -0.64000 1.000 C28 C -6.35600 1.68600 0.49100 1.000 C29 C -6.12000 0.97400 1.64500 1.000 C30 C -5.10300 0.03500 1.70100 1.000 H31 H 6.07900 4.03200 1.64600 1.000 H32 H 4.61600 4.02500 0.63200 1.000 H33 H 4.60400 3.21700 2.21800 1.000 H34 H 3.06500 2.65500 0.90900 1.000 H35 H 6.90200 -0.29400 1.50400 1.000 H36 H 6.42900 -1.82100 0.72200 1.000 H37 H 7.99500 -1.06900 0.33300 1.000 H38 H 3.71600 -3.59500 -2.25900 1.000 H39 H 2.68700 -2.96800 -0.95000 1.000 H40 H 2.70000 -2.16000 -2.53600 1.000 H41 H 1.92800 -1.01800 -0.96100 1.000 H42 H 0.72900 2.12600 0.13500 1.000 H43 H -0.38400 -3.83300 0.81800 1.000 H44 H -2.73000 -4.52500 1.02500 1.000 H45 H -4.53300 -2.86000 0.92200 1.000 H46 H -3.18600 -0.00700 -2.12000 1.000 H47 H -4.36800 1.69700 -3.61500 1.000 H48 H -7.15500 2.41300 0.45900 1.000 H49 H -6.73600 1.14600 2.51600 1.000 H50 H -4.92900 -0.51600 2.61300 1.000