# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '1CS' 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 2.83100 -0.72600 -2.53500 1.000 O1 O 2.43100 -0.30100 -3.84000 1.000 C2 C 1.10700 -0.02900 -3.77400 1.000 N3 N 0.45900 0.39100 -4.85500 1.000 C4 C -0.83300 0.65600 -4.79200 1.000 C5 C -1.56300 1.13300 -6.02100 1.000 N6 N -1.48700 0.50400 -3.65400 1.000 C7 C -0.84500 0.08300 -2.56800 1.000 N8 N -1.53000 -0.07500 -1.37500 1.000 C9 C -0.87900 -0.50200 -0.27500 1.000 O10 O 0.31000 -0.74700 -0.33000 1.000 N11 N -1.54600 -0.65700 0.88500 1.000 S12 S -0.77700 -1.30200 2.20200 1.000 O13 O -1.72700 -1.27000 3.25800 1.000 O14 O -0.11200 -2.46500 1.72900 1.000 C15 C 0.49700 -0.17900 2.67100 1.000 C16 C 1.82100 -0.56700 2.59600 1.000 C17 C 2.82100 0.31300 2.96400 1.000 C18 C 2.49700 1.58200 3.40700 1.000 C19 C 1.17300 1.97100 3.48200 1.000 C20 C 0.17200 1.09100 3.10800 1.000 N21 N 0.45300 -0.18900 -2.63000 1.000 Cl22 Cl -1.49100 1.57900 3.20100 1.000 H23 H 3.89600 -0.95700 -2.53900 1.000 H24 H 2.63500 0.07000 -1.81800 1.000 H25 H 2.26700 -1.61500 -2.25400 1.000 H26 H -1.95200 0.27400 -6.56900 1.000 H27 H -2.39000 1.77900 -5.72500 1.000 H28 H -0.87700 1.69000 -6.65800 1.000 H29 H -2.47900 0.12000 -1.33100 1.000 H30 H -2.47600 -0.39000 0.94900 1.000 H31 H 2.07500 -1.55800 2.25000 1.000 H32 H 3.85600 0.01000 2.90500 1.000 H33 H 3.27800 2.26900 3.69500 1.000 H34 H 0.92000 2.96200 3.82800 1.000