# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '957' 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 -1.19900 2.85200 -0.23700 1.000 C1 C -1.60700 1.47500 -0.69300 1.000 N2 N -1.98200 0.54900 0.21200 1.000 C3 C -2.37800 -0.79000 -0.23200 1.000 C4 C -1.21200 -1.44800 -0.97200 1.000 C5 C -0.00900 -1.55700 -0.03400 1.000 N6 N 1.14600 -2.07800 -0.77700 1.000 C7 C 2.35700 -2.06500 0.05500 1.000 C8 C 3.08900 -0.75000 0.11700 1.000 C9 C 4.23800 -0.53900 0.76200 1.000 C10 C 4.72400 0.75500 0.67900 1.000 C11 C 3.97000 1.59400 -0.03200 1.000 S12 S 2.56300 0.74100 -0.65400 1.000 C13 C 6.00700 1.18200 1.34300 1.000 C14 C 7.17500 0.97500 0.37700 1.000 C15 C 7.26600 -0.50400 -0.00400 1.000 C16 C 6.94900 1.81400 -0.88300 1.000 C17 C 8.47800 1.40900 1.05100 1.000 O18 O -1.59700 1.20000 -1.87400 1.000 C19 C -3.58200 -0.68100 -1.17000 1.000 C20 C -4.76600 -0.14600 -0.40700 1.000 C21 C -4.98700 1.21600 -0.34100 1.000 C22 C -6.07600 1.70900 0.35900 1.000 C23 C -6.94300 0.83500 0.99300 1.000 C24 C -6.72000 -0.52900 0.92600 1.000 C25 C -5.63500 -1.02000 0.22000 1.000 F26 F -6.29100 3.04100 0.42400 1.000 F27 F -7.56500 -1.38300 1.54400 1.000 O28 O -1.59900 -2.75400 -1.40500 1.000 C29 C 3.19600 -3.34400 0.10000 1.000 C30 C 2.35800 -2.93500 1.31400 1.000 H31 H -1.27000 2.91100 0.84900 1.000 H32 H -0.17100 3.04700 -0.54400 1.000 H33 H -1.86000 3.59400 -0.68500 1.000 H34 H -1.99000 0.76900 1.15600 1.000 H35 H -2.64600 -1.39500 0.63400 1.000 H36 H -0.94400 -0.84300 -1.83800 1.000 H37 H 0.23100 -0.57200 0.36600 1.000 H38 H -0.24800 -2.23400 0.78700 1.000 H39 H 0.96100 -3.00400 -1.13100 1.000 H40 H 4.75000 -1.31800 1.30700 1.000 H41 H 4.19100 2.63800 -0.20300 1.000 H42 H 5.94300 2.23600 1.61500 1.000 H43 H 6.16900 0.58500 2.24100 1.000 H44 H 6.33800 -0.81300 -0.48500 1.000 H45 H 8.09800 -0.65100 -0.69300 1.000 H46 H 7.42700 -1.10100 0.89300 1.000 H47 H 6.88400 2.86700 -0.61200 1.000 H48 H 7.78100 1.66600 -1.57200 1.000 H49 H 6.02100 1.50400 -1.36400 1.000 H50 H 8.63900 0.81200 1.94800 1.000 H51 H 9.31000 1.26200 0.36200 1.000 H52 H 8.41400 2.46300 1.32200 1.000 H53 H -3.34200 -0.00400 -1.99100 1.000 H54 H -3.82100 -1.66600 -1.57000 1.000 H55 H -4.31100 1.89800 -0.83500 1.000 H56 H -7.79200 1.21800 1.54000 1.000 H57 H -5.46100 -2.08400 0.16700 1.000 H58 H -1.85100 -3.34800 -0.68500 1.000 H59 H 2.85000 -4.19400 -0.48700 1.000 H60 H 4.27800 -3.23400 0.17600 1.000 H61 H 2.88900 -2.55600 2.18700 1.000 H62 H 1.46100 -3.51700 1.52400 1.000