# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C6S' 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 0.12000 1.87700 -1.40600 1.000 B1 B 0.69700 0.95200 -0.49600 1.000 O2 O 2.07200 1.01300 -0.13800 1.000 C3 C 2.68800 -0.19200 -0.03200 1.000 C4 C 2.02100 -1.40000 -0.03800 1.000 C5 C 0.52600 -1.52200 -0.18800 1.000 C6 C -0.15700 -0.19500 0.17700 1.000 N7 N -1.52500 -0.17300 -0.34600 1.000 C8 C -2.52900 0.31000 0.41300 1.000 O9 O -2.29900 0.72800 1.52800 1.000 C10 C -3.93700 0.33300 -0.12500 1.000 C11 C -4.87500 0.92600 0.92800 1.000 C12 C -6.30400 0.94900 0.38200 1.000 C13 C -6.74600 -0.47800 0.05000 1.000 C14 C -5.80800 -1.07100 -1.00300 1.000 C15 C -4.37800 -1.09400 -0.45700 1.000 C16 C 2.74100 -2.58100 0.09200 1.000 C17 C 4.11700 -2.56900 0.21800 1.000 C18 C 4.79900 -1.37200 0.21600 1.000 C19 C 4.09200 -0.17600 0.09200 1.000 C20 C 4.81500 1.10800 0.08900 1.000 O21 O 4.20200 2.15100 -0.02000 1.000 O22 O 6.15800 1.12500 0.20800 1.000 H23 H 0.74300 2.53400 -1.74700 1.000 H24 H -0.16900 -0.06400 1.25900 1.000 H25 H 0.28600 -1.78100 -1.21900 1.000 H26 H 0.16000 -2.30700 0.47300 1.000 H27 H 2.21600 -3.52500 0.09600 1.000 H28 H -1.70900 -0.50700 -1.23800 1.000 H29 H -3.97100 0.94300 -1.02800 1.000 H30 H -4.84100 0.31600 1.83000 1.000 H31 H -4.56000 1.94200 1.16400 1.000 H32 H -3.71000 -1.51600 -1.20700 1.000 H33 H -4.34400 -1.70400 0.44500 1.000 H34 H -6.97300 1.37100 1.13100 1.000 H35 H -6.33900 1.55900 -0.52100 1.000 H36 H -6.71200 -1.08800 0.95200 1.000 H37 H -7.76400 -0.46200 -0.33900 1.000 H38 H -6.12200 -2.08700 -1.24000 1.000 H39 H -5.84200 -0.46100 -1.90600 1.000 H40 H 4.65800 -3.49800 0.31900 1.000 H41 H 5.87500 -1.36000 0.31100 1.000 H42 H 6.58800 1.99200 0.20100 1.000