# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KD' 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 -3.38300 2.05300 -0.03000 1.000 C1 C -4.51100 2.75600 -0.06200 1.000 S2 S -5.89900 1.68100 -0.10100 1.000 C3 C -4.91200 0.29100 -0.07200 1.000 C4 C -3.60700 0.62700 -0.03500 1.000 C5 C -2.51500 -0.36400 -0.00900 1.000 N6 N -2.68400 -1.72300 -0.01300 1.000 C7 C -1.42500 -2.29000 0.01800 1.000 C8 C -0.51600 -1.21400 0.04000 1.000 N9 N -1.23300 -0.07700 0.01700 1.000 N10 N -0.98800 -3.53600 0.02900 1.000 C11 C 0.29800 -3.82500 0.06000 1.000 C12 C 1.26200 -2.83400 0.08400 1.000 C13 C 0.86700 -1.49300 0.07400 1.000 C14 C 1.86400 -0.40500 0.09800 1.000 N15 N 3.17900 -0.69700 0.13100 1.000 C16 C 4.12600 0.32900 0.05400 1.000 C17 C 3.87800 1.56500 0.64800 1.000 C18 C 4.84600 2.55000 0.54600 1.000 C19 C 6.01700 2.27800 -0.13600 1.000 N20 N 6.22200 1.09800 -0.68700 1.000 C21 C 5.32900 0.13100 -0.60900 1.000 O22 O 1.49900 0.75400 0.08900 1.000 H23 H -2.40100 2.50300 -0.00600 1.000 H24 H -4.56600 3.83400 -0.06400 1.000 H25 H -5.28200 -0.72300 -0.08200 1.000 H26 H -3.53000 -2.19800 -0.03400 1.000 H27 H 0.60600 -4.86000 0.06800 1.000 H28 H 2.31000 -3.09400 0.11000 1.000 H29 H 3.47000 -1.62000 0.20700 1.000 H30 H 2.95300 1.75000 1.17500 1.000 H31 H 4.68700 3.52000 0.99400 1.000 H32 H 6.77500 3.04300 -0.21900 1.000 H33 H 5.53500 -0.82500 -1.07000 1.000