# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JPS' 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 5.18700 -0.15500 -0.06100 1.000 C1 C 3.70100 -0.35800 0.24400 1.000 C2 C 2.88300 -0.11800 -1.02700 1.000 C3 C 1.42000 -0.31800 -0.72700 1.000 C4 C 0.58500 0.63200 -0.31700 1.000 S5 S 0.55400 -1.84000 -0.87200 1.000 C6 C -0.94000 -1.07900 -0.34500 1.000 C7 C -0.72900 0.22700 -0.09900 1.000 C8 C -1.83100 1.16800 0.37100 1.000 C9 C -1.73100 2.47400 -0.37300 1.000 O10 O -2.39600 2.65800 -1.36500 1.000 O11 O -0.90300 3.43500 0.06700 1.000 O12 O -1.69500 1.40300 1.77400 1.000 C13 C -3.18700 0.51900 0.08600 1.000 C14 C -3.19800 -0.90300 0.65600 1.000 O15 O -4.52700 -1.42600 0.61200 1.000 C16 C -2.27300 -1.78300 -0.19200 1.000 O17 O -2.07900 -3.04200 0.45600 1.000 C18 C 6.18500 -0.46400 1.05700 1.000 C19 C 5.90600 0.98700 0.66000 1.000 H20 H 5.49200 -0.37600 -1.08300 1.000 H21 H 3.53800 -1.37700 0.59400 1.000 H22 H 3.38900 0.34600 1.01500 1.000 H23 H 5.78400 -0.81200 2.00900 1.000 H24 H 7.14700 -0.88800 0.76900 1.000 H25 H 6.68400 1.51800 0.11100 1.000 H26 H 5.32100 1.59400 1.35100 1.000 H27 H 3.04600 0.90100 -1.37700 1.000 H28 H 3.19500 -0.82200 -1.79800 1.000 H29 H 0.90500 1.65200 -0.16400 1.000 H30 H -2.71700 -1.94000 -1.17500 1.000 H31 H -0.85200 1.80500 2.02500 1.000 H32 H -3.97700 1.10500 0.55600 1.000 H33 H -3.35400 0.48000 -0.99000 1.000 H34 H -0.87300 4.25600 -0.44300 1.000 H35 H -2.84700 -0.88500 1.68800 1.000 H36 H -4.60700 -2.32600 0.95800 1.000 H37 H -1.49200 -3.64400 -0.02200 1.000