# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94H' 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 6.82200 -2.18500 -0.23500 1.000 C1 C 5.91500 -2.03700 0.79700 1.000 C2 C 6.77100 -1.34000 -1.32700 1.000 C3 C -5.94300 -2.30200 -0.67400 1.000 C4 C -4.71300 -1.75700 -0.35400 1.000 C5 C 4.95200 -1.04700 0.73400 1.000 C6 C 5.81200 -0.34600 -1.38700 1.000 C7 C -1.09000 0.87400 -0.17200 1.000 C8 C -7.05100 -1.47300 -0.76200 1.000 C9 C -4.11100 1.77700 0.30000 1.000 C10 C -1.73800 -0.80900 1.26600 1.000 C11 C -4.64200 -0.38200 -0.13000 1.000 C12 C -2.13000 0.19800 0.44200 1.000 C13 C -3.55600 0.54500 0.22000 1.000 C14 C 4.89800 -0.20500 -0.36100 1.000 C15 C 0.14100 0.39300 0.16500 1.000 C16 C -5.80700 0.39900 -0.23600 1.000 C17 C 1.41800 0.91500 -0.33300 1.000 C18 C 4.29100 2.06300 0.43700 1.000 C19 C 3.85200 0.87900 -0.42600 1.000 N20 N -6.96200 -0.17900 -0.54200 1.000 N21 N -5.45100 1.69900 0.03000 1.000 N22 N 2.57700 0.35800 0.07100 1.000 N23 N 3.22000 3.06800 0.46900 1.000 O24 O 1.43100 1.85100 -1.11100 1.000 S25 S -0.03800 -0.94700 1.28700 1.000 H26 H 7.57400 -2.95900 -0.18500 1.000 H27 H 5.95700 -2.69500 1.65300 1.000 H28 H 7.48100 -1.45600 -2.13300 1.000 H29 H -6.03900 -3.36100 -0.85900 1.000 H30 H -3.83300 -2.37900 -0.27800 1.000 H31 H 4.24300 -0.93100 1.54000 1.000 H32 H 5.77300 0.31500 -2.24100 1.000 H33 H -1.23800 1.69700 -0.85400 1.000 H34 H -8.01000 -1.90000 -1.01700 1.000 H35 H -3.57700 2.68400 0.54200 1.000 H36 H -2.41100 -1.44100 1.82600 1.000 H37 H 4.49600 1.71800 1.45000 1.000 H38 H 5.19300 2.50700 0.01500 1.000 H39 H 3.73300 1.20600 -1.45900 1.000 H40 H -6.06100 2.45400 0.02700 1.000 H41 H 2.56600 -0.38800 0.69100 1.000 H42 H 2.35500 2.66500 0.79700 1.000 H43 H 3.48600 3.86200 1.03400 1.000