# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWX' 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 7.46600 2.05200 -0.03900 1.000 N1 N 7.51300 0.75000 -0.70900 1.000 S2 S 6.79200 -0.56700 -0.01100 1.000 O3 O 6.98100 -1.65100 -0.91000 1.000 O4 O 7.22900 -0.59400 1.34100 1.000 C5 C 5.05900 -0.25200 0.03200 1.000 C6 C 4.26200 -0.63600 -1.03100 1.000 C7 C 2.90400 -0.39100 -1.00300 1.000 C8 C 4.50000 0.37400 1.13200 1.000 C9 C 3.14300 0.62300 1.17100 1.000 C10 C 2.33600 0.24300 0.10000 1.000 C11 C 0.87700 0.50800 0.13700 1.000 C12 C 0.31000 1.14300 1.24000 1.000 C13 C -1.04700 1.38900 1.27100 1.000 C14 C 0.07100 0.12800 -0.93500 1.000 C15 C -1.28500 0.37600 -0.89900 1.000 C16 C -1.84700 1.00400 0.20500 1.000 O17 O -3.18400 1.24700 0.23800 1.000 C18 C -3.94800 0.82500 -0.89300 1.000 O19 O -4.01100 -0.60300 -0.92000 1.000 C20 C -4.59300 -1.18300 0.24800 1.000 C21 C -4.58200 -2.70800 0.12000 1.000 O22 O -3.23100 -3.17400 0.10000 1.000 C23 C -6.03600 -0.69400 0.39500 1.000 O24 O -6.60200 -1.22800 1.59400 1.000 C25 C -6.04500 0.83600 0.46200 1.000 O26 O -7.39300 1.30500 0.52500 1.000 C27 C -5.36600 1.39500 -0.79300 1.000 O28 O -6.11500 1.01700 -1.94900 1.000 H29 H 7.99000 2.79200 -0.64400 1.000 H30 H 6.42800 2.35700 0.09000 1.000 H31 H 0.50800 -0.36000 -1.79400 1.000 H32 H -1.91000 0.08200 -1.72900 1.000 H33 H -7.47300 2.26700 0.56900 1.000 H34 H -5.31800 2.48200 -0.72700 1.000 H35 H 7.94600 1.97600 0.93700 1.000 H36 H 7.96600 0.66000 -1.56200 1.000 H37 H 4.70400 -1.12700 -1.88600 1.000 H38 H 5.12600 0.66800 1.96100 1.000 H39 H 2.28300 -0.69200 -1.83400 1.000 H40 H 2.70700 1.11100 2.03000 1.000 H41 H 0.93300 1.44200 2.07100 1.000 H42 H -1.48700 1.88000 2.12600 1.000 H43 H -3.47600 1.18500 -1.80700 1.000 H44 H -4.01800 -0.88800 1.12600 1.000 H45 H -5.10500 -3.14800 0.96900 1.000 H46 H -5.08100 -2.99900 -0.80400 1.000 H47 H -6.62200 -1.02500 -0.46300 1.000 H48 H -3.14700 -4.13400 0.02000 1.000 H49 H -7.51800 -0.95800 1.75000 1.000 H50 H -5.50300 1.16500 1.34800 1.000 H51 H -5.74000 1.33400 -2.78200 1.000