# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KY' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 1.29600 1.85500 -1.30100 1.000 C1 C -0.11600 1.10500 -0.68700 1.000 N2 N -1.09500 1.87700 -0.18800 1.000 N3 N -0.20700 -0.23600 -0.72600 1.000 C4 C 0.89500 -1.02000 -1.28900 1.000 C5 C 1.88900 -1.37200 -0.18000 1.000 O6 O 2.40500 -0.17100 0.39700 1.000 C7 C 2.76300 -0.29500 1.77500 1.000 C8 C 3.30000 1.04400 2.28400 1.000 C9 C 3.04000 -2.19100 -0.76700 1.000 C10 C -1.32200 -0.88000 -0.24300 1.000 N11 N -1.70100 -2.18200 -0.14500 1.000 C12 C -2.93700 -2.20900 0.43100 1.000 N13 N -3.32600 -0.99300 0.68700 1.000 C14 C -2.36200 -0.12800 0.28900 1.000 C15 C -2.22900 1.33000 0.30200 1.000 O16 O -3.11800 2.03300 0.74700 1.000 H17 H -0.98700 2.84100 -0.18000 1.000 H18 H 0.50200 -1.93600 -1.72900 1.000 H19 H 1.40100 -0.43600 -2.05700 1.000 H20 H 1.38300 -1.95600 0.58900 1.000 H21 H 1.88400 -0.57800 2.35400 1.000 H22 H 3.53200 -1.05900 1.88300 1.000 H23 H 4.17900 1.32800 1.70500 1.000 H24 H 2.53100 1.80900 2.17600 1.000 H25 H 3.57300 0.95000 3.33600 1.000 H26 H 2.64600 -3.10800 -1.20700 1.000 H27 H 3.54600 -1.60700 -1.53600 1.000 H28 H 3.74800 -2.44200 0.02300 1.000 H29 H -1.18500 -2.95200 -0.43300 1.000 H30 H -3.50600 -3.10200 0.64300 1.000