# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KU' 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 -6.70700 -0.72700 0.20200 1.000 C1 C -6.46900 -0.41400 -1.12500 1.000 C2 C -5.21500 0.00600 -1.52300 1.000 C3 C -4.19200 0.11600 -0.58900 1.000 C4 C -4.43400 -0.19800 0.74200 1.000 C5 C -5.69100 -0.61300 1.13500 1.000 Cl6 Cl -8.28400 -1.25600 0.69800 1.000 N7 N -2.92200 0.54100 -0.98900 1.000 C8 C -1.82500 0.05500 -0.37600 1.000 C9 C -0.47600 0.59500 -0.72100 1.000 N10 N 0.62200 0.10900 -0.10800 1.000 O11 O -0.36800 1.47200 -1.55300 1.000 O12 O -1.93300 -0.82200 0.45600 1.000 C13 C 1.94500 0.63800 -0.44600 1.000 C14 C 2.21800 1.89500 0.38200 1.000 C15 C 2.99400 -0.40000 -0.14500 1.000 C16 C 1.15300 2.95000 0.07600 1.000 C17 C 1.44200 4.21300 0.89200 1.000 C18 C 2.84800 4.71700 0.55700 1.000 C19 C 3.86500 3.61100 0.85000 1.000 N20 N 3.54500 2.42500 0.04400 1.000 N21 N 3.04400 -1.10800 0.93300 1.000 C22 C 4.03100 -1.97500 1.03700 1.000 C23 C 4.85900 -2.00000 -0.01100 1.000 S24 S 4.28600 -0.81700 -1.18400 1.000 C25 C 4.21400 -2.86200 2.24200 1.000 C26 C 6.06800 -2.88800 -0.16500 1.000 O27 O 5.68300 -4.11100 -0.79700 1.000 H28 H -7.26500 -0.50000 -1.85000 1.000 H29 H -5.03000 0.24900 -2.55900 1.000 H30 H -3.64100 -0.11300 1.47000 1.000 H31 H -5.88000 -0.85700 2.17000 1.000 H32 H -2.83100 1.18600 -1.70800 1.000 H33 H 0.53500 -0.59200 0.55700 1.000 H34 H 1.97600 0.88900 -1.50700 1.000 H35 H 2.18700 1.64500 1.44300 1.000 H36 H 1.17400 3.19100 -0.98700 1.000 H37 H 0.16900 2.56200 0.34100 1.000 H38 H 0.71100 4.98200 0.64400 1.000 H39 H 1.38100 3.98100 1.95500 1.000 H40 H 2.89700 4.98600 -0.49800 1.000 H41 H 3.07600 5.59100 1.16600 1.000 H42 H 4.86600 3.96200 0.59800 1.000 H43 H 3.82500 3.35200 1.90800 1.000 H44 H 3.61300 2.62900 -0.94200 1.000 H45 H 4.84000 -2.35300 2.97600 1.000 H46 H 3.24100 -3.07900 2.68400 1.000 H47 H 4.69200 -3.79300 1.93900 1.000 H48 H 6.81400 -2.38200 -0.77700 1.000 H49 H 6.48800 -3.10300 0.81700 1.000 H50 H 6.41300 -4.73200 -0.92800 1.000