# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0MX' 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 1.06100 -2.04700 -0.64500 1.000 N1 N 4.77300 -3.42600 0.50900 1.000 O2 O -3.41300 2.47700 -1.49500 1.000 S3 S -4.46800 1.52500 -1.48800 1.000 Cl4 Cl -7.62700 -0.60900 2.37200 1.000 C5 C 1.17900 -3.43000 -0.46400 1.000 N6 N 5.47900 -2.22100 0.57100 1.000 O7 O -5.74800 1.77800 -2.05100 1.000 C8 C 2.36500 -3.98300 -0.08300 1.000 N9 N 5.05400 0.12500 0.20300 1.000 O10 O 7.13800 -0.33900 0.81800 1.000 C11 C 2.15500 -1.22000 -0.43700 1.000 N12 N -3.88300 0.17300 -2.24500 1.000 O13 O 5.87700 2.94000 0.12300 1.000 C14 C 3.37300 -1.78000 -0.04700 1.000 C15 C 3.47900 -3.17300 0.13100 1.000 C16 C 4.69500 -1.22500 0.25100 1.000 C17 C -0.23700 -1.46400 -1.06500 1.000 C18 C -1.33800 -2.29200 -1.28000 1.000 C19 C -2.54300 -1.74900 -1.67000 1.000 C20 C -2.66200 -0.37500 -1.85000 1.000 C21 C -1.56600 0.45300 -1.63600 1.000 C22 C -0.36000 -0.08600 -1.24000 1.000 C23 C -4.74300 1.09900 0.20000 1.000 C24 C -3.77500 1.37300 1.14800 1.000 C25 C -3.99000 1.03900 2.47200 1.000 C26 C -5.17200 0.43000 2.84900 1.000 C27 C -6.14100 0.15600 1.90000 1.000 C28 C -5.92800 0.49600 0.57600 1.000 C29 C 6.31300 0.49900 0.50400 1.000 C30 C 6.68900 1.91600 0.45400 1.000 C31 C 6.56200 4.08900 0.18500 1.000 C32 C 7.83200 3.81800 0.55900 1.000 C33 C 7.92400 2.42800 0.73400 1.000 H34 H 5.14000 -4.30300 0.70200 1.000 H35 H 0.32100 -4.06500 -0.62800 1.000 H36 H 2.44300 -5.05200 0.05200 1.000 H37 H 4.39600 0.79300 -0.04700 1.000 H38 H 2.06500 -0.15300 -0.57600 1.000 H39 H -4.38900 -0.23700 -2.96400 1.000 H40 H -1.24600 -3.35900 -1.14100 1.000 H41 H -3.39600 -2.39000 -1.83700 1.000 H42 H -1.66000 1.51900 -1.77700 1.000 H43 H 0.49000 0.55800 -1.06900 1.000 H44 H -2.85100 1.84800 0.85400 1.000 H45 H -3.23300 1.25300 3.21300 1.000 H46 H -5.33900 0.16900 3.88300 1.000 H47 H -6.68600 0.28600 -0.16400 1.000 H48 H 6.16600 5.07100 -0.02900 1.000 H49 H 8.62700 4.53600 0.69800 1.000 H50 H 8.80000 1.87200 1.03200 1.000