# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '949' 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 2.00500 0.05100 1.03600 1.000 C1 C 2.80200 0.70700 0.11400 1.000 C2 C 0.05200 1.03900 0.04200 1.000 C3 C 2.23300 1.53200 -0.84000 1.000 C4 C -3.62500 0.70600 0.01000 1.000 C5 C -3.43900 2.20400 -0.11100 1.000 C6 C -1.32700 -1.91700 -0.84900 1.000 C7 C -1.01000 -3.25700 -0.72700 1.000 C8 C -1.33700 -3.94600 0.43000 1.000 C9 C -1.98100 -3.29900 1.46700 1.000 C10 C -2.30200 -1.96100 1.35700 1.000 C11 C -1.97200 -1.26000 0.19800 1.000 C12 C 0.63500 0.21200 1.00700 1.000 C13 C -1.40900 1.21500 0.00400 1.000 C14 C -2.31600 0.17600 0.07500 1.000 C15 C 0.86500 1.70700 -0.87900 1.000 C16 C -4.04200 2.71000 -1.42300 1.000 C17 C -4.08500 2.91700 1.07900 1.000 F18 F -0.38000 -3.89500 -1.73800 1.000 O19 O -4.67300 0.09300 0.04700 1.000 O20 O -2.02100 2.40800 -0.10400 1.000 S21 S 4.55000 0.49100 0.15600 1.000 O22 O 4.87300 0.09500 1.48200 1.000 N23 N 4.90800 -0.79900 -0.81800 1.000 O24 O 5.11100 1.63600 -0.47200 1.000 H25 H 2.45600 -0.59100 1.77800 1.000 H26 H 2.86100 2.04100 -1.55600 1.000 H27 H -1.07200 -1.38000 -1.75000 1.000 H28 H -1.08700 -4.99300 0.52100 1.000 H29 H -2.23400 -3.84100 2.36700 1.000 H30 H -2.80600 -1.45700 2.16900 1.000 H31 H 0.01400 -0.30800 1.72200 1.000 H32 H 0.42300 2.34800 -1.62700 1.000 H33 H -5.10700 2.48100 -1.44500 1.000 H34 H -3.90100 3.78900 -1.49500 1.000 H35 H -3.54700 2.22200 -2.26200 1.000 H36 H -3.62100 2.57400 2.00400 1.000 H37 H -3.94300 3.99300 0.97900 1.000 H38 H -5.15100 2.69100 1.10200 1.000 H39 H 4.19700 -1.27200 -1.27700 1.000 H40 H 5.82900 -1.08200 -0.92900 1.000