# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'F1S' 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 4.63800 -0.50700 2.62400 1.000 S1 S 5.26000 0.27800 1.11200 1.000 O2 O 4.47300 1.41300 0.78000 1.000 O3 O 6.67900 0.35100 1.13500 1.000 N4 N 4.92700 -0.81500 -0.08700 1.000 C5 C 3.60100 -1.12000 -0.40600 1.000 C6 C 2.61600 -0.14100 -0.33700 1.000 C7 C 3.25000 -2.40700 -0.80300 1.000 Cl8 Cl 4.47000 -3.63800 -0.90000 1.000 N9 N 2.00100 -2.70200 -1.10500 1.000 C10 C 1.03900 -1.80200 -1.04600 1.000 C11 C 1.31000 -0.49400 -0.66400 1.000 N12 N 0.28400 0.45500 -0.60900 1.000 C13 C -1.02300 0.05100 -0.38700 1.000 N14 N -1.31200 -1.24000 -0.33100 1.000 C15 C -2.54100 -1.66700 -0.11600 1.000 C16 C -3.58600 -0.78000 0.06100 1.000 C17 C -4.98300 -1.29000 0.30600 1.000 C18 C -5.42600 -2.15700 -0.87600 1.000 C19 C -6.81300 -2.73500 -0.58400 1.000 O20 O -6.76900 -3.48600 0.63200 1.000 C21 C -6.40600 -2.71600 1.78000 1.000 C22 C -5.00300 -2.13800 1.58200 1.000 C23 C -3.34000 0.58200 0.01300 1.000 C24 C -2.03100 1.01200 -0.21600 1.000 C25 C -1.71100 2.45600 -0.27100 1.000 N26 N -2.13800 3.27000 0.69000 1.000 N27 N -0.99000 2.94300 -1.28000 1.000 C28 C -0.70400 4.23200 -1.32900 1.000 C29 C 0.11200 4.77800 -2.47300 1.000 N30 N -1.13200 5.04400 -0.37800 1.000 C31 C -1.84800 4.56500 0.63600 1.000 N32 N -2.28900 5.41400 1.63100 1.000 H33 H 5.15500 -1.45400 2.78100 1.000 H34 H 4.81800 0.15000 3.47500 1.000 H35 H 3.56800 -0.69000 2.52600 1.000 H36 H 5.65300 -1.24200 -0.56900 1.000 H37 H 2.85800 0.86800 -0.03700 1.000 H38 H 0.02800 -2.08400 -1.30200 1.000 H39 H 0.48800 1.39600 -0.72700 1.000 H40 H -2.73500 -2.72900 -0.07900 1.000 H41 H -5.66500 -0.44700 0.41700 1.000 H42 H -5.46800 -1.54800 -1.77900 1.000 H43 H -4.71400 -2.97100 -1.01900 1.000 H44 H -7.53200 -1.92200 -0.48200 1.000 H45 H -7.11600 -3.38800 -1.40300 1.000 H46 H -7.11900 -1.90200 1.91200 1.000 H47 H -6.41500 -3.35500 2.66300 1.000 H48 H -4.28300 -2.95100 1.49000 1.000 H49 H -4.74200 -1.51400 2.43700 1.000 H50 H -4.14000 1.29500 0.14800 1.000 H51 H -0.55400 5.08000 -3.28100 1.000 H52 H 0.68400 5.64000 -2.13100 1.000 H53 H 0.79400 4.00700 -2.83200 1.000 H54 H -2.81100 5.06500 2.37100 1.000 H55 H -2.07700 6.36000 1.59100 1.000