# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C94' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -5.75500 -1.24400 -0.02300 1.000 S1 S -4.91900 -0.09500 -0.05300 1.000 O2 O -4.98700 0.88800 -1.07700 1.000 N3 N -5.16600 0.70100 1.37800 1.000 C4 C -3.26000 -0.68700 -0.04200 1.000 C5 C -2.20800 0.21200 -0.03600 1.000 C6 C -2.48500 1.69400 -0.04000 1.000 F7 F -1.27500 2.39500 -0.03200 1.000 F8 F -3.21100 2.02900 -1.18700 1.000 F9 F -3.22700 2.03200 1.09700 1.000 C10 C -0.90600 -0.24400 -0.02600 1.000 C11 C -0.65100 -1.61700 -0.02300 1.000 C12 C -1.71800 -2.51900 -0.02900 1.000 C13 C -3.01400 -2.04900 -0.03200 1.000 C14 C 0.73900 -2.11300 -0.01300 1.000 O15 O 1.84500 -1.34600 -0.00600 1.000 C16 C 1.11500 -3.42600 -0.00300 1.000 C17 C 2.51300 -3.45400 0.00400 1.000 C18 C 2.93800 -2.13800 0.00200 1.000 C19 C 4.28000 -1.69900 0.01000 1.000 C20 C 4.56100 -0.36500 0.01100 1.000 S21 S 3.41200 0.98700 0.00300 1.000 C22 C 4.66200 2.24300 0.00900 1.000 N23 N 4.47000 3.53300 0.00700 1.000 N24 N 5.86900 1.59400 0.01700 1.000 C25 C 5.87800 0.27200 0.02400 1.000 O26 O 6.91100 -0.37200 0.03700 1.000 H27 H -4.44800 0.76400 2.02700 1.000 H28 H -6.02800 1.10500 1.56600 1.000 H29 H -3.84000 -2.74500 -0.03300 1.000 H30 H -0.08600 0.45900 -0.02200 1.000 H31 H -1.52800 -3.58200 -0.02700 1.000 H32 H 0.45700 -4.28200 -0.00100 1.000 H33 H 3.13900 -4.33400 0.01300 1.000 H34 H 5.08400 -2.42100 0.01600 1.000 H35 H 6.70000 2.09500 0.02100 1.000 H36 H 5.23000 4.13600 0.01200 1.000