# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C3S' 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 -0.09200 0.16800 10.90100 1.000 C1 C 0.43900 0.62300 9.54000 1.000 C2 C 1.94700 0.37400 9.47300 1.000 C3 C -0.25800 -0.16500 8.43100 1.000 C4 C 0.27300 0.28900 7.07000 1.000 C5 C -0.42400 -0.49900 5.96000 1.000 C6 C 0.10700 -0.04400 4.60000 1.000 C7 C 1.61500 -0.29400 4.53200 1.000 C8 C -0.59000 -0.83300 3.49000 1.000 C9 C -2.11100 -0.54100 3.49900 1.000 C10 C -0.09600 -0.37100 2.12200 1.000 C11 C 1.07100 -1.13100 1.49200 1.000 C12 C 0.21500 1.12500 2.15600 1.000 C13 C -1.33900 -0.56600 1.21200 1.000 C14 C -2.46000 0.00400 2.08700 1.000 C15 C -1.08200 0.16700 -0.09100 1.000 C16 C -2.30800 0.03900 -1.00200 1.000 C17 C 0.11800 -0.50500 -0.77200 1.000 C18 C 1.36100 -0.51800 0.11300 1.000 C19 C 0.43400 0.17800 -2.09100 1.000 C20 C 1.31700 1.38400 -1.76000 1.000 C21 C -0.77600 0.67300 -2.82500 1.000 C22 C -0.57200 1.27500 -4.20500 1.000 C23 C -1.98500 0.61800 -2.34900 1.000 C24 C 1.23200 -0.75900 -3.00100 1.000 C25 C 1.54600 -0.04400 -4.31600 1.000 C26 C 0.24400 0.29100 -5.04600 1.000 O27 O 0.54600 0.88100 -6.31100 1.000 S28 S 0.28600 -0.18300 -7.36700 1.000 O29 O -1.22100 -0.37100 -7.46200 1.000 O30 O 0.68200 0.39300 -8.60400 1.000 O31 O 0.79200 -1.39500 -6.82600 1.000 H32 H 0.40400 0.73000 11.69200 1.000 H33 H -1.16600 0.34600 10.94900 1.000 H34 H 0.10600 -0.89500 11.03200 1.000 H35 H 0.24000 1.68700 9.41000 1.000 H36 H 2.14600 -0.68900 9.60300 1.000 H37 H 2.32600 0.69800 8.50300 1.000 H38 H 2.44400 0.93600 10.26300 1.000 H39 H -0.05900 -1.22900 8.56100 1.000 H40 H -1.33200 0.01200 8.47900 1.000 H41 H 0.07400 1.35300 6.93900 1.000 H42 H 1.34700 0.11100 7.02200 1.000 H43 H -0.22500 -1.56300 6.09100 1.000 H44 H -1.49800 -0.32200 6.00800 1.000 H45 H -0.09100 1.01900 4.46900 1.000 H46 H 1.81400 -1.35700 4.66200 1.000 H47 H 1.99400 0.03000 3.56300 1.000 H48 H 2.11200 0.26800 5.32300 1.000 H49 H -0.40900 -1.90100 3.61500 1.000 H50 H -2.66700 -1.45900 3.69200 1.000 H51 H -2.34400 0.20500 4.25700 1.000 H52 H 0.76100 -2.16900 1.38000 1.000 H53 H 1.96200 -1.07400 2.11800 1.000 H54 H 0.47600 1.46400 1.15300 1.000 H55 H -0.66000 1.67100 2.50800 1.000 H56 H 1.05200 1.30700 2.83000 1.000 H57 H -1.50900 -1.62600 1.02300 1.000 H58 H -3.43200 -0.36500 1.76000 1.000 H59 H -2.43900 1.09400 2.08000 1.000 H60 H -0.86500 1.21700 0.10200 1.000 H61 H -2.57200 -1.01200 -1.11200 1.000 H62 H -3.14500 0.58200 -0.56300 1.000 H63 H -0.16600 -1.53700 -0.98000 1.000 H64 H 2.14000 -1.10100 -0.37700 1.000 H65 H 1.71300 0.50400 0.24500 1.000 H66 H 1.47900 1.97300 -2.66300 1.000 H67 H 0.82400 1.99900 -1.00800 1.000 H68 H 2.27600 1.03700 -1.37600 1.000 H69 H -1.54000 1.44700 -4.67700 1.000 H70 H -0.03400 2.21900 -4.11700 1.000 H71 H -2.79400 1.00800 -2.94900 1.000 H72 H 2.16200 -1.04000 -2.50800 1.000 H73 H 0.64400 -1.65400 -3.20500 1.000 H74 H 2.15700 -0.69200 -4.94400 1.000 H75 H 2.09200 0.87600 -4.10700 1.000 H76 H -0.33100 -0.62100 -5.19900 1.000 H77 H -1.37600 -1.04800 -8.13400 1.000