# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C8N' 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 -4.77500 2.90700 -0.47000 1.000 C1 C -3.69300 2.11500 -0.53300 1.000 O2 O -2.98400 2.13800 -1.51000 1.000 C3 C -3.36300 1.19800 0.61700 1.000 C4 C -4.51200 0.21000 0.80400 1.000 S5 S -3.73700 -1.41900 0.59200 1.000 C6 C -2.09900 -0.81600 0.29600 1.000 C7 C -0.94300 -1.53700 0.04300 1.000 N8 N -0.99200 -2.93400 0.00000 1.000 C9 C -0.70900 -3.39200 -1.36700 1.000 C10 C 0.01200 -3.48700 0.91900 1.000 C11 C 0.26300 -0.88100 -0.16800 1.000 C12 C 1.52600 -1.65600 -0.44200 1.000 C13 C 2.63300 -0.70000 -0.80500 1.000 C14 C 2.98900 -0.52700 -2.10700 1.000 C15 C 4.01000 0.35200 -2.46100 1.000 C16 C 4.68200 1.06400 -1.51500 1.000 C17 C 4.34400 0.91100 -0.16000 1.000 C18 C 5.01500 1.62800 0.84500 1.000 C19 C 4.66000 1.45500 2.14800 1.000 C20 C 3.63900 0.57600 2.50200 1.000 C21 C 2.96700 -0.13500 1.55600 1.000 C22 C 3.30100 0.02200 0.20000 1.000 C23 C 0.27700 0.49800 -0.11900 1.000 C24 C -0.90300 1.19000 0.13700 1.000 O25 O -0.87900 2.41000 0.17800 1.000 N26 N -2.08700 0.53900 0.34400 1.000 H27 H -4.94600 3.47800 -1.23200 1.000 H28 H -3.26100 1.79500 1.52400 1.000 H29 H -4.93600 0.30400 1.80400 1.000 H30 H -5.27900 0.36900 0.04700 1.000 H31 H 0.36900 -3.46500 -1.51000 1.000 H32 H -1.16300 -4.37000 -1.52400 1.000 H33 H -1.12300 -2.68000 -2.08100 1.000 H34 H 0.10100 -2.84000 1.79200 1.000 H35 H -0.29500 -4.48400 1.23500 1.000 H36 H 0.97500 -3.54700 0.41200 1.000 H37 H 1.80800 -2.21800 0.44800 1.000 H38 H 1.35700 -2.34600 -1.26900 1.000 H39 H 2.47200 -1.08000 -2.87700 1.000 H40 H 4.27300 0.47100 -3.50200 1.000 H41 H 5.47200 1.74100 -1.80500 1.000 H42 H 5.80900 2.31300 0.58500 1.000 H43 H 5.17800 2.00700 2.91800 1.000 H44 H 3.37800 0.45600 3.54300 1.000 H45 H 2.17800 -0.81400 1.84500 1.000 H46 H 1.19900 1.03800 -0.27800 1.000 H47 H -1.91000 -3.24700 0.27700 1.000