# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '22S' 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 -1.85200 0.29000 -0.48500 1.000 N1 N -0.42100 0.59700 -0.42800 1.000 S2 S -1.10500 3.05700 -1.16100 1.000 Cl3 Cl 2.33700 -1.31400 0.35900 1.000 C4 C -2.04800 -1.14700 -0.97500 1.000 N5 N 1.33200 2.12000 -0.67000 1.000 O6 O -1.53000 -1.27300 -2.30100 1.000 C7 C -3.54300 -1.47900 -0.97400 1.000 N8 N 2.24800 1.12300 -0.31000 1.000 O9 O -4.17800 1.75500 2.66800 1.000 C10 C -4.10100 -1.26500 0.43600 1.000 O11 O -5.51100 -1.50300 0.43300 1.000 C12 C -3.82700 0.17600 0.87200 1.000 O13 O -2.42100 0.42900 0.81900 1.000 C14 C -4.32800 0.38100 2.30300 1.000 O15 O -3.73000 -2.84200 -1.36000 1.000 C16 C 0.01500 1.83800 -0.72200 1.000 C17 C 3.51600 1.39400 -0.26000 1.000 C18 C 4.48000 0.34400 0.11800 1.000 C19 C 4.03200 -0.94400 0.42300 1.000 C20 C 4.94200 -1.92100 0.77500 1.000 C21 C 6.29200 -1.62800 0.82700 1.000 C22 C 6.74200 -0.35400 0.52600 1.000 C23 C 5.84700 0.63100 0.16700 1.000 H24 H -2.34400 0.97900 -1.17100 1.000 H25 H 0.21400 -0.09400 -0.18000 1.000 H26 H -1.52100 -1.83300 -0.31200 1.000 H27 H 1.64500 3.01300 -0.88100 1.000 H28 H -0.58700 -1.07300 -2.37600 1.000 H29 H -4.06200 -0.82600 -1.67500 1.000 H30 H -4.47700 1.95800 3.56500 1.000 H31 H -3.61700 -1.95400 1.12800 1.000 H32 H -5.75800 -2.39700 0.16100 1.000 H33 H -4.34500 0.86400 0.20300 1.000 H34 H -3.74800 -0.24100 2.98400 1.000 H35 H -5.38000 0.10200 2.36200 1.000 H36 H -3.39200 -3.05100 -2.24200 1.000 H37 H 3.86500 2.38900 -0.49500 1.000 H38 H 4.59800 -2.91800 1.01200 1.000 H39 H 6.99900 -2.39600 1.10400 1.000 H40 H 7.79900 -0.13200 0.56800 1.000 H41 H 6.20000 1.62300 -0.07200 1.000