# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9NK' 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 -3.38500 0.11900 0.93300 1.000 C1 C 3.99600 0.29500 1.56900 1.000 C2 C 2.99300 1.45100 1.57000 1.000 C3 C 1.57100 0.88800 1.65600 1.000 C4 C 2.34000 -1.17900 0.42000 1.000 C5 C 3.75300 -0.59300 0.34700 1.000 C6 C 2.04500 -1.94300 -0.84500 1.000 C7 C -2.61400 -0.17400 -0.17600 1.000 C8 C -1.89200 0.93000 -0.90500 1.000 C9 C -0.57500 1.23700 -0.19000 1.000 C10 C 0.09500 2.44400 -0.85200 1.000 C11 C 0.33800 0.04200 -0.28200 1.000 C12 C -2.50400 -1.48000 -0.61500 1.000 C13 C -3.16600 -2.49300 0.05400 1.000 C14 C -3.93800 -2.19900 1.16200 1.000 C15 C -4.04200 -0.89400 1.60600 1.000 N16 N 1.37800 -0.07900 0.56600 1.000 O17 O 0.13700 -0.81100 -1.12100 1.000 O18 O 1.70300 -3.24000 -0.78200 1.000 O19 O 2.11500 -1.38900 -1.91600 1.000 S20 S -0.96400 3.90400 -0.66100 1.000 H21 H -3.47000 1.14000 1.27700 1.000 H22 H 5.01000 0.69500 1.53300 1.000 H23 H 3.87100 -0.29500 2.47700 1.000 H24 H 3.18100 2.09600 2.42800 1.000 H25 H 3.10100 2.02700 0.65100 1.000 H26 H 1.43400 0.38900 2.61600 1.000 H27 H 0.85000 1.69900 1.56000 1.000 H28 H 2.26600 -1.84900 1.27700 1.000 H29 H 3.85400 0.00200 -0.56100 1.000 H30 H 4.48300 -1.40200 0.33500 1.000 H31 H -1.68500 0.61500 -1.92800 1.000 H32 H -2.51500 1.82400 -0.91900 1.000 H33 H -0.77400 1.46200 0.85800 1.000 H34 H 1.05900 2.62900 -0.37700 1.000 H35 H 0.24500 2.23900 -1.91200 1.000 H36 H -1.90100 -1.70900 -1.48200 1.000 H37 H -3.08000 -3.51300 -0.29000 1.000 H38 H -4.45600 -2.99000 1.68400 1.000 H39 H -4.64500 -0.66500 2.47200 1.000 H40 H 1.52300 -3.68800 -1.62000 1.000 H41 H -0.26200 4.87000 -1.27900 1.000