# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 5.54500 2.19000 -7.98800 1.000 C1 C 4.37900 2.03500 -8.58600 1.000 N2 N 3.30400 1.62900 -7.94400 1.000 C3 C 3.35500 1.34900 -6.64600 1.000 C4 C 4.57300 1.50400 -5.96200 1.000 C5 C 5.69200 1.94000 -6.69100 1.000 N6 N 6.92000 2.10500 -6.07300 1.000 N7 N 4.35100 1.16400 -4.67000 1.000 C8 C 3.10400 0.82400 -4.51900 1.000 N9 N 2.44700 0.92500 -5.70900 1.000 C10 C 1.03200 0.62900 -5.94600 1.000 C11 C 0.82700 -0.88000 -6.23000 1.000 O12 O 1.01800 -1.16900 -7.61700 1.000 C13 C -0.65400 -1.08900 -5.82200 1.000 O14 O -1.50100 -1.05100 -6.97300 1.000 P15 P -2.27600 -2.46000 -7.02800 1.000 O16 O -3.07500 -2.63300 -5.79400 1.000 O17 O -3.25300 -2.48600 -8.30700 1.000 O18 O -1.20500 -3.65700 -7.14500 1.000 C19 C -0.95400 0.09500 -4.88300 1.000 O20 O 0.25800 0.85500 -4.74900 1.000 C21 C -1.39700 -0.42400 -3.51400 1.000 O22 O -1.66600 0.68000 -2.64900 1.000 P23 P -2.12400 0.06300 -1.23400 1.000 O24 O -3.33800 -0.76100 -1.42600 1.000 O25 O -0.94100 -0.85300 -0.64000 1.000 O26 O -2.44500 1.25900 -0.20600 1.000 P27 P -2.89400 0.57300 1.17900 1.000 O28 O -4.09600 -0.25800 0.95000 1.000 O29 O -1.69800 -0.35100 1.73300 1.000 O30 O -3.23200 1.71800 2.26000 1.000 C31 C -3.95800 2.08600 4.53500 1.000 C32 C -3.62200 1.05000 3.46100 1.000 C33 C -2.72800 2.95300 4.81000 1.000 C34 C -5.10700 2.97100 4.04800 1.000 C35 C -4.37600 1.37100 5.82100 1.000 O36 O -5.60200 0.67100 5.60000 1.000 C37 C -3.30400 0.39100 6.22200 1.000 O38 O -3.50300 -0.80000 6.12100 1.000 N39 N -2.12300 0.83900 6.69300 1.000 C40 C -1.11100 -0.11100 7.15900 1.000 C41 C 0.12400 0.65200 7.63800 1.000 C42 C 1.16500 -0.32600 8.11700 1.000 O43 O 0.94100 -1.51700 8.07800 1.000 N44 N 2.34600 0.12200 8.58700 1.000 C45 C 3.35800 -0.82800 9.05300 1.000 C46 C 4.59400 -0.06400 9.53200 1.000 S47 S 5.84700 -1.24200 10.10900 1.000 S48 S 6.14600 -2.31500 8.38700 1.000 H49 H 4.30300 2.25000 -9.64200 1.000 H50 H 7.68500 2.40600 -6.58700 1.000 H51 H 7.01400 1.91900 -5.12500 1.000 H52 H 2.65500 0.50900 -3.58900 1.000 H53 H 0.64800 1.23000 -6.77000 1.000 H54 H 1.49100 -1.48500 -5.61300 1.000 H55 H 1.93100 -0.93100 -7.82800 1.000 H56 H -0.77500 -2.03400 -5.29300 1.000 H57 H -3.69600 -3.34600 -8.30300 1.000 H58 H -0.70700 -3.50800 -7.96000 1.000 H59 H -1.73700 0.72000 -5.31300 1.000 H60 H -0.60500 -1.03800 -3.08500 1.000 H61 H -2.30000 -1.02400 -3.62800 1.000 H62 H -0.17100 -0.27900 -0.53100 1.000 H63 H -0.93600 0.22800 1.86800 1.000 H64 H -2.80400 0.41900 3.80800 1.000 H65 H -4.49900 0.43200 3.26500 1.000 H66 H -1.87600 2.31200 5.03800 1.000 H67 H -2.50400 3.55600 3.93100 1.000 H68 H -2.92700 3.60700 5.65900 1.000 H69 H -6.00300 2.36500 3.91600 1.000 H70 H -5.30200 3.75200 4.78300 1.000 H71 H -4.83500 3.42900 3.09600 1.000 H72 H -4.51500 2.10300 6.61600 1.000 H73 H -5.43600 0.03400 4.89100 1.000 H74 H -1.94300 1.79200 6.72300 1.000 H75 H -1.51600 -0.69900 7.98200 1.000 H76 H -0.83300 -0.77500 6.34000 1.000 H77 H 0.53000 1.24000 6.81400 1.000 H78 H -0.15300 1.31600 8.45600 1.000 H79 H 2.52500 1.07500 8.61800 1.000 H80 H 2.95200 -1.41600 9.87600 1.000 H81 H 3.63600 -1.49300 8.23500 1.000 H82 H 4.99900 0.52300 8.70900 1.000 H83 H 4.31600 0.59900 10.35000 1.000 H84 H 7.07500 -3.18800 8.81500 1.000