# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J1N' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.51300 -2.82000 -0.21500 1.000 C1 C -0.47900 -3.69100 -0.22200 1.000 N2 N -1.73500 -3.32100 -0.13300 1.000 C3 C 0.28200 -1.51900 -0.11800 1.000 S4 S -3.63700 -1.24700 0.10300 1.000 C5 C -2.91800 0.35100 0.17100 1.000 C6 C -1.59000 0.28600 0.09800 1.000 C7 C -1.05800 -1.06600 -0.01900 1.000 C8 C -2.06800 -2.02700 -0.03000 1.000 C9 C -3.70200 1.63200 0.29600 1.000 C10 C -4.04100 2.16000 -1.09900 1.000 N11 N 1.33100 -0.61700 -0.11200 1.000 C12 C 2.71100 -1.09800 -0.21400 1.000 C13 C 3.22300 -1.47800 1.17600 1.000 O14 O 3.28900 -0.30900 1.99500 1.000 C15 C 3.58000 -0.01000 -0.79000 1.000 O16 O 3.09700 1.05800 -1.08400 1.000 O17 O 4.89200 -0.22700 -0.97500 1.000 C18 C -0.72500 1.48900 0.13200 1.000 C19 C -0.67200 2.28100 1.27900 1.000 C20 C 0.13500 3.40000 1.30500 1.000 C21 C 0.89100 3.73700 0.19600 1.000 C22 C 0.84300 2.95500 -0.94400 1.000 C23 C 0.04400 1.83100 -0.98000 1.000 H24 H -0.24900 -4.74400 -0.30300 1.000 H25 H -4.62300 1.44200 0.84700 1.000 H26 H -3.10600 2.37200 0.82900 1.000 H27 H -4.60800 3.08600 -1.00900 1.000 H28 H -3.12000 2.35000 -1.65000 1.000 H29 H -4.63800 1.41900 -1.63300 1.000 H30 H 1.15200 0.33400 -0.04000 1.000 H31 H 2.74300 -1.97200 -0.86500 1.000 H32 H 2.54300 -2.20000 1.62900 1.000 H33 H 4.21600 -1.91800 1.09000 1.000 H34 H 3.60600 -0.47600 2.89400 1.000 H35 H 5.40900 0.50100 -1.34700 1.000 H36 H -1.26200 2.02000 2.14500 1.000 H37 H 0.17700 4.01400 2.19200 1.000 H38 H 1.52100 4.61400 0.22100 1.000 H39 H 1.43900 3.22000 -1.80500 1.000 H40 H 0.00800 1.22100 -1.87000 1.000