# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0S4' 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 -2.81000 -0.29300 0.11300 1.000 C1 C -4.04900 0.32800 0.16900 1.000 C2 C -4.12600 1.71300 0.21100 1.000 C3 C -2.97000 2.46900 0.19800 1.000 C4 C -1.73700 1.84700 0.14200 1.000 C5 C -1.65600 0.46800 0.10000 1.000 C6 C -0.47700 2.67500 0.12700 1.000 C7 C 0.70800 1.78100 -0.13700 1.000 C8 C -0.57500 3.73100 -0.97500 1.000 C9 C -0.30400 3.36500 1.48100 1.000 C10 C -0.35200 2.31800 2.59600 1.000 C11 C -0.88800 3.05000 -2.30900 1.000 C12 C 0.70700 0.94100 -1.23600 1.000 C13 C 1.79200 0.12100 -1.48000 1.000 C14 C 2.88200 0.14100 -0.62200 1.000 C15 C 1.79100 -0.79500 -2.67700 1.000 C16 C 2.88000 0.98500 0.47900 1.000 C17 C 1.79500 1.80700 0.71600 1.000 O18 O -5.18400 -0.41800 0.18100 1.000 O19 O -7.76000 -4.45200 0.14100 1.000 C20 C -5.02900 -1.83700 0.13500 1.000 C21 C -6.38500 -2.49300 0.15700 1.000 N22 N -6.48500 -3.83600 0.12000 1.000 O23 O -7.38700 -1.81100 0.20700 1.000 C24 C 7.35200 -1.39600 0.55300 1.000 C25 C 8.45300 -2.36800 0.12500 1.000 C26 C 6.94400 -1.69200 1.99800 1.000 C27 C 7.87100 0.04000 0.45400 1.000 C28 C 5.03700 -0.59100 0.06500 1.000 O29 O 3.95000 -0.66500 -0.85900 1.000 C30 C 6.13800 -1.56300 -0.36300 1.000 O31 O 5.65300 -2.90400 -0.27000 1.000 C32 C -5.47000 2.39100 0.27100 1.000 H33 H -2.74700 -1.37100 0.08400 1.000 H34 H -3.03000 3.54700 0.23100 1.000 H35 H -0.69200 -0.01600 0.05700 1.000 H36 H -1.36900 4.43700 -0.73300 1.000 H37 H 0.37300 4.26400 -1.05300 1.000 H38 H 0.65700 3.87800 1.50700 1.000 H39 H -1.10600 4.08800 1.62600 1.000 H40 H -1.28900 1.76500 2.53500 1.000 H41 H 0.48500 1.62900 2.48500 1.000 H42 H -0.28700 2.81600 3.56400 1.000 H43 H -1.72400 2.36400 -2.17800 1.000 H44 H -1.15000 3.80500 -3.05000 1.000 H45 H -0.01300 2.49600 -2.64900 1.000 H46 H -0.14100 0.92600 -1.90300 1.000 H47 H 2.22200 -0.27500 -3.53200 1.000 H48 H 2.38200 -1.68300 -2.45500 1.000 H49 H 0.76700 -1.08800 -2.90800 1.000 H50 H 3.72700 1.00200 1.14800 1.000 H51 H 1.79300 2.46400 1.57300 1.000 H52 H -7.73100 -5.41800 0.11200 1.000 H53 H -4.50500 -2.11600 -0.78000 1.000 H54 H -4.45100 -2.16800 0.99800 1.000 H55 H -5.68400 -4.38100 0.08000 1.000 H56 H 8.08200 -3.39000 0.19600 1.000 H57 H 8.74300 -2.15700 -0.90400 1.000 H58 H 9.31700 -2.24800 0.77800 1.000 H59 H 6.57400 -2.71400 2.06900 1.000 H60 H 7.80800 -1.57200 2.65100 1.000 H61 H 6.16000 -0.99900 2.30400 1.000 H62 H 8.73600 0.15900 1.10700 1.000 H63 H 8.16200 0.25100 -0.57500 1.000 H64 H 7.08700 0.73200 0.76000 1.000 H65 H 5.43400 0.42400 0.08000 1.000 H66 H 4.68500 -0.85800 1.06200 1.000 H67 H 6.42800 -1.35200 -1.39200 1.000 H68 H 5.37600 -3.16100 0.62000 1.000 H69 H -5.76400 2.52500 1.31300 1.000 H70 H -5.40900 3.36400 -0.21600 1.000 H71 H -6.21100 1.77600 -0.23800 1.000