# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CID' 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 0.71500 0.42700 -3.59500 1.000 C1 C 1.39800 0.33200 -2.25400 1.000 O2 O 0.41300 0.28300 -1.22000 1.000 N3 N 1.11300 0.19500 0.00700 1.000 C4 C 0.45500 0.13500 1.12700 1.000 C5 C 0.38900 -0.72400 -4.28600 1.000 C6 C -0.24100 -0.63800 -5.51400 1.000 Cl7 Cl -0.65700 -2.08400 -6.38000 1.000 C8 C -0.53700 0.60100 -6.05400 1.000 Cl9 Cl -1.32300 0.71100 -7.59800 1.000 C10 C -0.20500 1.75300 -5.36300 1.000 C11 C 0.42100 1.66500 -4.13400 1.000 N12 N 2.54800 0.01500 2.52400 1.000 C13 C 2.73900 -0.08000 3.87600 1.000 N14 N 1.59800 -0.10000 4.51000 1.000 C15 C 0.59500 -0.02100 3.62400 1.000 C16 C 1.15600 0.04700 2.35700 1.000 C17 C -0.85100 -0.01400 3.94100 1.000 C18 C -1.71600 0.82700 3.24300 1.000 C19 C -3.06400 0.82600 3.53900 1.000 C20 C -3.55600 -0.00100 4.53400 1.000 Cl21 Cl -5.25200 0.00600 4.90600 1.000 C22 C -2.70100 -0.83900 5.23000 1.000 C23 C -1.35300 -0.84900 4.93900 1.000 C24 C 3.67300 0.04700 1.73400 1.000 S25 S 4.51200 -0.12400 4.01700 1.000 C26 C 4.89000 -0.01300 2.27500 1.000 H27 H 2.03400 1.20500 -2.10900 1.000 H28 H 2.00700 -0.57000 -2.22000 1.000 H29 H -0.62400 0.15200 1.12100 1.000 H30 H 0.62000 -1.69100 -3.86400 1.000 H31 H -0.43500 2.72100 -5.78400 1.000 H32 H 0.68000 2.56400 -3.59500 1.000 H33 H -1.33300 1.47600 2.46900 1.000 H34 H -3.73500 1.47700 2.99900 1.000 H35 H -3.09100 -1.48500 6.00300 1.000 H36 H -0.68700 -1.50300 5.48300 1.000 H37 H 3.57000 0.12200 0.66100 1.000 H38 H 5.85300 0.00100 1.78800 1.000