# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '995' 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 2.34700 1.82000 -0.43300 1.000 C1 C 1.89800 0.46000 0.03800 1.000 C2 C 3.40100 2.53400 0.28900 1.000 O3 O 1.83500 2.32200 -1.41200 1.000 S4 S 4.11700 4.13600 -0.04500 1.000 C5 C 5.24400 4.15800 1.27700 1.000 C6 C 4.99200 2.95200 1.86900 1.000 N7 N 4.07700 2.16600 1.37400 1.000 C8 C 2.95500 -0.58300 -0.33200 1.000 C9 C 2.56000 -1.93900 0.25400 1.000 N10 N 0.62600 0.11700 -0.60200 1.000 C11 C -0.53500 0.54300 -0.06700 1.000 C12 C -1.83400 0.28700 -0.78600 1.000 C13 C -2.00100 1.30500 -1.91600 1.000 C14 C -3.26500 0.97900 -2.71400 1.000 C15 C -2.11900 2.71100 -1.32400 1.000 N16 N -2.94800 0.41900 0.15700 1.000 C17 C -4.10900 -0.22500 -0.07700 1.000 C18 C -5.25400 -0.09000 0.89300 1.000 C19 C -6.44300 -0.91400 0.39600 1.000 C20 C -7.60600 -0.77700 1.38000 1.000 C21 C -8.09500 0.67300 1.39300 1.000 C22 C -8.75000 -1.69700 0.95000 1.000 O23 O -4.23100 -0.91300 -1.06900 1.000 O24 O -0.53400 1.13200 0.99300 1.000 C25 C 3.61600 -2.98200 -0.11700 1.000 N26 N 3.23700 -4.28500 0.44700 1.000 C27 C 4.28600 -5.23500 0.05600 1.000 N28 N 4.17000 -6.45400 0.86800 1.000 N29 N 4.13400 -5.57700 -1.36500 1.000 H30 H 1.76700 0.47600 1.12000 1.000 H31 H 5.95500 4.92100 1.55600 1.000 H32 H 5.54600 2.65400 2.74600 1.000 H33 H 3.02200 -0.66100 -1.41700 1.000 H34 H 3.92100 -0.28000 0.07100 1.000 H35 H 2.49200 -1.86000 1.33900 1.000 H36 H 1.59300 -2.24200 -0.14900 1.000 H37 H 0.62000 -0.41800 -1.41200 1.000 H38 H -1.82700 -0.72000 -1.20200 1.000 H39 H -1.13400 1.26000 -2.57600 1.000 H40 H -4.14100 1.13300 -2.08400 1.000 H41 H -3.32500 1.63300 -3.58400 1.000 H42 H -3.23100 -0.06000 -3.04100 1.000 H43 H -1.21800 2.94300 -0.75600 1.000 H44 H -2.23700 3.43500 -2.12900 1.000 H45 H -2.98600 2.75500 -0.66400 1.000 H46 H -2.85000 0.96900 0.95000 1.000 H47 H -5.54400 0.95800 0.96800 1.000 H48 H -4.94500 -0.45300 1.87300 1.000 H49 H -6.15300 -1.96200 0.32000 1.000 H50 H -6.75300 -0.55100 -0.58500 1.000 H51 H -7.27100 -1.05600 2.37900 1.000 H52 H -8.43000 0.95200 0.39400 1.000 H53 H -8.92400 0.77100 2.09500 1.000 H54 H -7.28100 1.32900 1.70000 1.000 H55 H -9.08500 -1.41800 -0.04900 1.000 H56 H -8.40200 -2.73000 0.94100 1.000 H57 H -9.57900 -1.60000 1.65200 1.000 H58 H 3.68300 -3.06100 -1.20200 1.000 H59 H 4.58200 -2.68000 0.28600 1.000 H60 H 3.28800 -4.19300 1.45000 1.000 H61 H 5.26500 -4.78300 0.21800 1.000 H62 H 4.90700 -7.07500 0.56600 1.000 H63 H 4.38300 -6.19100 1.81800 1.000 H64 H 4.80500 -6.30400 -1.56200 1.000 H65 H 3.21900 -5.99000 -1.46700 1.000