# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '95H' 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 -2.35900 -3.06100 0.04600 1.000 O1 O -2.69500 3.30200 1.10500 1.000 C2 C -4.32500 0.10200 0.00700 1.000 C3 C -1.07900 -2.53300 -0.30700 1.000 O4 O -1.72400 0.89400 2.15100 1.000 C5 C -4.19800 1.44300 0.73400 1.000 C6 C -2.85400 2.08500 0.37400 1.000 C7 C -1.72400 1.11600 0.74000 1.000 C8 C -1.94700 -0.21300 0.01300 1.000 C9 C 1.55800 -1.06500 0.72200 1.000 C10 C 2.88200 -0.51900 0.35600 1.000 C11 C 4.02400 -0.93100 1.04400 1.000 C12 C 5.25700 -0.41800 0.69700 1.000 C13 C 5.36200 0.50400 -0.32900 1.000 C14 C 4.23400 0.91800 -1.01400 1.000 C15 C 2.99600 0.40700 -0.68200 1.000 C16 C -4.76900 -1.24200 -2.45400 1.000 C17 C -0.85600 -1.20500 0.41900 1.000 C18 C 0.01200 -3.52600 0.09900 1.000 N19 N 0.45600 -0.66400 0.05600 1.000 N20 N 6.68800 1.05100 -0.69500 1.000 O21 O 1.46200 -1.87500 1.62300 1.000 O22 O -5.26200 2.30700 0.33100 1.000 O23 O 6.78400 1.86300 -1.59800 1.000 O24 O 7.68300 0.68900 -0.09300 1.000 O25 O -3.22700 -0.73900 0.36800 1.000 S26 S -4.31000 0.38100 -1.78500 1.000 H27 H -2.46600 -3.23200 0.99200 1.000 H28 H -3.38100 3.96000 0.92700 1.000 H29 H -5.26000 -0.37900 0.29300 1.000 H30 H -1.03800 -2.36900 -1.38400 1.000 H31 H -1.59200 1.69600 2.67500 1.000 H32 H -4.24800 1.28100 1.81100 1.000 H33 H -2.82400 2.29400 -0.69500 1.000 H34 H -0.76800 1.54200 0.43700 1.000 H35 H -1.90700 -0.04900 -1.06400 1.000 H36 H 3.94400 -1.65100 1.84500 1.000 H37 H 6.14200 -0.73600 1.22800 1.000 H38 H 4.32200 1.63900 -1.81300 1.000 H39 H 2.11600 0.72700 -1.22100 1.000 H40 H -5.75400 -1.52300 -2.08200 1.000 H41 H -4.79200 -1.19200 -3.54300 1.000 H42 H -4.03600 -1.98500 -2.14000 1.000 H43 H -0.89700 -1.36900 1.49600 1.000 H44 H -0.14600 -4.47200 -0.41900 1.000 H45 H 0.98900 -3.12400 -0.17100 1.000 H46 H -0.02800 -3.69000 1.17600 1.000 H47 H 0.53200 -0.01800 -0.66300 1.000 H48 H -6.14400 1.96300 0.52800 1.000