# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'DS2' 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 -4.21000 0.41600 -0.16600 1.000 O1 O -8.89500 1.54000 -0.29900 1.000 C2 C -2.90800 0.89200 -0.10400 1.000 O3 O -7.22700 2.98600 -0.19400 1.000 C4 C -1.84900 0.00500 -0.08700 1.000 C5 C -2.08600 -1.35700 -0.13300 1.000 C6 C -3.38200 -1.83400 -0.19500 1.000 C7 C -4.44400 -0.95100 -0.21100 1.000 C8 C -0.92900 -2.32200 -0.11500 1.000 C9 C 0.35000 -1.56900 0.14800 1.000 C10 C -1.14600 -3.35900 0.98900 1.000 C11 C -0.83400 -3.03000 -1.46800 1.000 C12 C -0.77600 -1.98700 -2.58600 1.000 C13 C -1.37800 -2.64400 2.32200 1.000 C14 C 0.46200 -0.77100 1.27200 1.000 C15 C 1.63300 -0.07900 1.51500 1.000 C16 C 2.69700 -0.18600 0.63200 1.000 C17 C 2.58200 -0.98800 -0.49500 1.000 C18 C 1.41100 -1.68200 -0.73100 1.000 C19 C -2.65000 2.37600 -0.05500 1.000 C20 C 1.75400 0.79100 2.74000 1.000 O21 O 3.85000 0.49300 0.86900 1.000 C22 C 4.90300 0.33500 -0.08400 1.000 C23 C 6.11100 1.17000 0.34900 1.000 O24 O 5.77000 2.55700 0.31000 1.000 C25 C 7.28000 0.90500 -0.60100 1.000 C26 C 6.87800 1.29100 -2.02600 1.000 C27 C 8.48800 1.73900 -0.16900 1.000 C28 C 7.64500 -0.58100 -0.55900 1.000 O29 O -5.25300 1.28600 -0.17600 1.000 C30 C -6.56600 0.72500 -0.24100 1.000 C31 C -7.58700 1.83300 -0.24300 1.000 H32 H -9.51200 2.28400 -0.29800 1.000 H33 H -0.83600 0.37500 -0.04000 1.000 H34 H -3.56400 -2.89800 -0.23100 1.000 H35 H -5.45700 -1.32400 -0.25900 1.000 H36 H -2.01700 -3.96900 0.74800 1.000 H37 H -0.26600 -3.99700 1.06700 1.000 H38 H 0.06700 -3.64200 -1.49500 1.000 H39 H -1.70900 -3.66400 -1.60800 1.000 H40 H -0.79000 -2.49000 -3.55300 1.000 H41 H -1.63800 -1.32400 -2.51000 1.000 H42 H 0.14000 -1.40500 -2.49300 1.000 H43 H -1.63700 -3.37600 3.08700 1.000 H44 H -0.46900 -2.11800 2.61500 1.000 H45 H -2.19300 -1.92800 2.21300 1.000 H46 H -0.36700 -0.68700 1.95900 1.000 H47 H 3.40900 -1.07300 -1.18500 1.000 H48 H 1.32300 -2.30900 -1.60600 1.000 H49 H -2.62600 2.70700 0.98400 1.000 H50 H -1.69200 2.59400 -0.52700 1.000 H51 H -3.44400 2.90100 -0.58500 1.000 H52 H 2.14500 0.20000 3.56800 1.000 H53 H 2.43300 1.61800 2.53200 1.000 H54 H 0.77300 1.18400 3.00500 1.000 H55 H 5.18900 -0.71500 -0.13900 1.000 H56 H 4.56200 0.67100 -1.06300 1.000 H57 H 6.39800 0.89500 1.36400 1.000 H58 H 5.50400 2.87200 -0.56500 1.000 H59 H 6.61800 2.34900 -2.05600 1.000 H60 H 7.71100 1.10200 -2.70300 1.000 H61 H 6.01700 0.69600 -2.33400 1.000 H62 H 8.77500 1.46400 0.84600 1.000 H63 H 9.32100 1.55000 -0.84600 1.000 H64 H 8.22800 2.79700 -0.19900 1.000 H65 H 6.78500 -1.17500 -0.86700 1.000 H66 H 8.47900 -0.76900 -1.23600 1.000 H67 H 7.93200 -0.85600 0.45600 1.000 H68 H -6.66500 0.13800 -1.15400 1.000 H69 H -6.72900 0.08200 0.62400 1.000