# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C96' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 6.44300 0.42900 1.03800 1.000 S1 S 5.77900 0.74200 -0.17800 1.000 O2 O 5.67600 2.06300 -0.69000 1.000 N3 N 6.51200 -0.16100 -1.35700 1.000 C4 C 4.13000 0.14200 -0.01300 1.000 C5 C 3.11800 0.68900 -0.78300 1.000 C6 C 1.82500 0.22500 -0.65900 1.000 C7 C 1.53800 -0.80000 0.24700 1.000 C8 C 2.56500 -1.34700 1.02000 1.000 C9 C 3.85400 -0.87700 0.88200 1.000 C10 C 0.15800 -1.30200 0.38500 1.000 O11 O -0.91100 -0.85700 -0.30100 1.000 C12 C -0.24600 -2.29900 1.22800 1.000 C13 C -1.62200 -2.45900 1.04600 1.000 C14 C -2.00700 -1.54300 0.08400 1.000 C15 C -3.31700 -1.36100 -0.41200 1.000 C16 C -3.97200 -0.18400 -0.19100 1.000 S17 S -3.37800 1.24100 0.68300 1.000 C18 C -4.85800 2.18600 0.44300 1.000 N19 N -5.08500 3.40000 0.86600 1.000 N20 N -5.71600 1.39500 -0.27400 1.000 C21 C -5.31700 0.18600 -0.62800 1.000 C22 C -3.99100 -2.46500 -1.18400 1.000 O23 O -6.02300 -0.57000 -1.27100 1.000 H24 H 7.30400 -0.68000 -1.14800 1.000 H25 H 6.15000 -0.17000 -2.25700 1.000 H26 H 4.64900 -1.30100 1.47600 1.000 H27 H 3.34100 1.48100 -1.48200 1.000 H28 H 2.35100 -2.14000 1.72200 1.000 H29 H 1.03600 0.65300 -1.25900 1.000 H30 H 0.38100 -2.85800 1.90600 1.000 H31 H -2.26100 -3.16500 1.55600 1.000 H32 H -4.53700 -3.10900 -0.49500 1.000 H33 H -4.68500 -2.03300 -1.90500 1.000 H34 H -3.23900 -3.05200 -1.71000 1.000 H35 H -6.59700 1.71800 -0.52100 1.000 H36 H -5.93500 3.82800 0.67800 1.000