# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '956' 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 -3.09000 3.37100 -0.63500 1.000 C1 C -4.41000 3.18400 -0.25000 1.000 C2 C -4.86100 1.94000 0.13600 1.000 C3 C -2.21000 2.31200 -0.63800 1.000 C4 C -2.65200 1.04500 -0.25000 1.000 C5 C -3.99000 0.85600 0.14100 1.000 N6 N -4.42700 -0.39600 0.52500 1.000 C7 C -3.60400 -1.45700 0.53800 1.000 C8 C -2.24400 -1.34600 0.15900 1.000 C9 C -1.73800 -0.10500 -0.24200 1.000 O10 O -4.03800 -2.54100 0.88600 1.000 C11 C -5.82500 -0.57100 0.92800 1.000 N12 N -0.42600 0.03500 -0.61600 1.000 C13 C 0.07900 -0.61600 -1.83300 1.000 C14 C 1.28500 -1.48700 -1.45900 1.000 N15 N 2.21100 -0.68300 -0.65000 1.000 C16 C 1.70700 -0.03200 0.56700 1.000 C17 C 0.50000 0.84300 0.19100 1.000 C18 C 3.50100 -0.54600 -1.01700 1.000 O19 O 3.88100 -0.99300 -2.08400 1.000 C20 C 4.44600 0.14100 -0.13200 1.000 S21 S 4.38200 0.14100 1.62500 1.000 C22 C 5.77400 1.12200 1.72200 1.000 C23 C 6.23800 1.41700 0.50200 1.000 C24 C 5.52100 0.88000 -0.54000 1.000 C25 C -1.39200 -2.49700 0.18400 1.000 N26 N -0.71700 -3.41100 0.20500 1.000 H27 H -2.75300 4.35100 -0.93800 1.000 H28 H -5.09100 4.02300 -0.25200 1.000 H29 H -5.89000 1.80700 0.43500 1.000 H30 H -1.18300 2.46100 -0.93800 1.000 H31 H -6.42600 -0.82300 0.05500 1.000 H32 H -5.89300 -1.37400 1.66200 1.000 H33 H -6.19500 0.35600 1.36900 1.000 H34 H -0.70400 -1.24000 -2.26500 1.000 H35 H 0.38200 0.14300 -2.55500 1.000 H36 H 0.94900 -2.34900 -0.88300 1.000 H37 H 1.78800 -1.82300 -2.36600 1.000 H38 H 1.40100 -0.79100 1.28800 1.000 H39 H 2.48900 0.59200 0.99900 1.000 H40 H 0.83500 1.70300 -0.38900 1.000 H41 H -0.00400 1.18300 1.09500 1.000 H42 H 6.22200 1.46100 2.64500 1.000 H43 H 7.11400 2.03000 0.34700 1.000 H44 H 5.77700 1.03200 -1.57800 1.000