# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '039' 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 -1.11500 3.27300 -2.83400 1.000 O1 O -1.30800 2.19500 -1.91500 1.000 C2 C -1.15000 2.71000 -0.66700 1.000 C3 C -0.85900 4.05500 -0.50200 1.000 C4 C -0.69900 4.57700 0.76800 1.000 C5 C -0.82800 3.76000 1.87700 1.000 C6 C -1.11900 2.41800 1.72100 1.000 C7 C -1.28700 1.88800 0.45000 1.000 N8 N -1.58200 0.52700 0.28900 1.000 C9 C -2.87200 0.11900 0.26300 1.000 O10 O -3.78800 0.91200 0.37600 1.000 C11 C -3.12300 -1.31800 0.09200 1.000 C12 C -4.41600 -1.84100 0.05100 1.000 Cl13 Cl -5.79000 -0.79100 0.20400 1.000 C14 C -4.59400 -3.19900 -0.11200 1.000 C15 C -3.49900 -4.04500 -0.23600 1.000 C16 C -2.21600 -3.54800 -0.19800 1.000 C17 C -2.00800 -2.17700 -0.03400 1.000 N18 N -0.76100 -1.64600 0.00900 1.000 C19 C -0.56900 -0.37000 0.15600 1.000 C20 C 0.84900 0.14000 0.19200 1.000 S21 S 1.99500 -1.24900 0.01000 1.000 C22 C 3.53100 -0.39000 0.08600 1.000 C23 C 4.75000 -1.08500 -0.00900 1.000 N24 N 5.09500 -2.38400 -0.17400 1.000 C25 C 6.39200 -2.48700 -0.20700 1.000 N26 N 6.96000 -1.25600 -0.07200 1.000 C27 C 5.94200 -0.34400 0.05200 1.000 N28 N 5.87700 0.97400 0.20800 1.000 C29 C 4.71300 1.58200 0.29900 1.000 N30 N 3.56600 0.93000 0.24100 1.000 H31 H -0.11300 3.68300 -2.70800 1.000 H32 H -1.23300 2.90600 -3.85300 1.000 H33 H -1.85400 4.05100 -2.64000 1.000 H34 H -0.75800 4.69500 -1.36500 1.000 H35 H -0.47200 5.62500 0.89500 1.000 H36 H -0.70200 4.17200 2.86700 1.000 H37 H -1.21900 1.78300 2.58900 1.000 H38 H -5.59300 -3.60900 -0.14400 1.000 H39 H -3.65700 -5.10600 -0.36300 1.000 H40 H -1.37300 -4.21600 -0.29500 1.000 H41 H 1.00200 0.84600 -0.62300 1.000 H42 H 1.03100 0.63900 1.14400 1.000 H43 H 6.93700 -3.41200 -0.32500 1.000 H44 H 7.91000 -1.06000 -0.06400 1.000 H45 H 4.69500 2.65500 0.42500 1.000