# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KW' 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 6.87200 1.04700 0.19400 1.000 C1 C 5.87700 0.82800 1.13100 1.000 C2 C 4.65000 0.33400 0.73400 1.000 C3 C 4.41500 0.05700 -0.60700 1.000 C4 C 5.41500 0.27800 -1.54500 1.000 C5 C 6.64000 0.77200 -1.14200 1.000 Cl6 Cl 8.41000 1.67500 0.69600 1.000 N7 N 3.17400 -0.44300 -1.01200 1.000 C8 C 2.05200 -0.06300 -0.36900 1.000 C9 C 0.74200 -0.68600 -0.72300 1.000 N10 N -0.38000 -0.30600 -0.08000 1.000 O11 O 0.68700 -1.53500 -1.58900 1.000 O12 O 2.10700 0.78500 0.49800 1.000 C13 C -1.66600 -0.91800 -0.42700 1.000 C14 C -1.83700 -2.22300 0.35300 1.000 C15 C -2.78400 0.02900 -0.07200 1.000 C16 C -0.70200 -3.18400 -0.00700 1.000 C17 C -0.88800 -4.49600 0.76000 1.000 C18 C -2.25800 -5.08800 0.41800 1.000 C19 C -3.34800 -4.07200 0.76500 1.000 N20 N -3.12600 -2.83500 0.00600 1.000 N21 N -2.87200 0.68700 1.03400 1.000 C22 C -3.91800 1.47500 1.18300 1.000 C23 C -4.75900 1.48200 0.14400 1.000 S24 S -4.11600 0.39200 -1.08200 1.000 C25 C -4.14900 2.29700 2.42500 1.000 C26 C -6.03000 2.28400 0.03800 1.000 C27 C -5.72300 3.64600 -0.58800 1.000 O28 O -6.92900 4.40600 -0.68800 1.000 H29 H 6.06000 1.04300 2.17300 1.000 H30 H 3.87400 0.16300 1.46500 1.000 H31 H 5.23500 0.06400 -2.58800 1.000 H32 H 7.41700 0.94900 -1.87200 1.000 H33 H 3.12100 -1.06400 -1.75500 1.000 H34 H -0.33700 0.37100 0.61300 1.000 H35 H -1.69200 -1.12700 -1.49600 1.000 H36 H -1.81100 -2.01400 1.42200 1.000 H37 H -0.71900 -3.38300 -1.07900 1.000 H38 H 0.25400 -2.73600 0.26400 1.000 H39 H -0.10600 -5.20000 0.47400 1.000 H40 H -0.83100 -4.30400 1.83100 1.000 H41 H -2.30000 -5.31700 -0.64700 1.000 H42 H -2.41400 -6.00000 0.99300 1.000 H43 H -4.32400 -4.48400 0.51000 1.000 H44 H -3.31500 -3.85400 1.83300 1.000 H45 H -3.19100 -3.00300 -0.98700 1.000 H46 H -4.72700 1.71500 3.14200 1.000 H47 H -3.18900 2.56700 2.86500 1.000 H48 H -4.69700 3.20200 2.16400 1.000 H49 H -6.74600 1.75000 -0.58600 1.000 H50 H -6.45300 2.42800 1.03300 1.000 H51 H -5.00800 4.18000 0.03700 1.000 H52 H -5.30100 3.50100 -1.58200 1.000 H53 H -6.80900 5.28400 -1.07700 1.000