# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0S3' 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 -0.52900 -0.61700 -0.66500 1.000 C1 C 0.70000 -1.08200 -0.26500 1.000 C2 C 0.66600 -1.89900 0.84100 1.000 S3 S -0.99300 -2.08000 1.39100 1.000 C4 C -1.57600 -1.03600 0.10200 1.000 C5 C -2.94700 -0.68400 -0.11400 1.000 C6 C -4.07200 -0.39600 -0.29100 1.000 C7 C -5.48100 -0.03400 -0.51300 1.000 C8 C -6.02300 0.68700 0.72200 1.000 C9 C -5.58500 0.88900 -1.72900 1.000 C10 C -6.30000 -1.30200 -0.76400 1.000 N11 N 1.88500 -0.75400 -0.92600 1.000 C12 C 2.24900 0.53700 -1.05600 1.000 N13 N 2.67500 -1.74100 -1.44200 1.000 C14 C 1.45900 1.61600 -0.36000 1.000 O15 O 3.21100 0.83100 -1.73200 1.000 C16 C 2.00300 1.81400 1.05600 1.000 C17 C 1.20200 2.90900 1.76300 1.000 C18 C 1.32700 4.21800 0.98000 1.000 C19 C 0.78300 4.02000 -0.43600 1.000 C20 C 1.58400 2.92500 -1.14200 1.000 C21 C 0.52600 5.31300 1.68700 1.000 C22 C 2.58400 -1.77700 -2.90800 1.000 C23 C 4.06900 -1.58200 -1.00500 1.000 C24 C 1.79500 -2.50100 1.44400 1.000 O25 O 2.90800 -2.29100 0.99800 1.000 O26 O 1.63800 -3.30800 2.51500 1.000 H27 H -0.65600 0.03400 -1.51800 1.000 H28 H -7.06700 0.95500 0.55700 1.000 H29 H -5.94900 0.03000 1.58800 1.000 H30 H -5.44000 1.59000 0.90100 1.000 H31 H -5.00200 1.79200 -1.55100 1.000 H32 H -5.19800 0.37500 -2.61000 1.000 H33 H -6.62800 1.15700 -1.89400 1.000 H34 H -5.91300 -1.81600 -1.64500 1.000 H35 H -6.22600 -1.96000 0.10200 1.000 H36 H -7.34300 -1.03400 -0.92900 1.000 H37 H 0.41000 1.32300 -0.30800 1.000 H38 H 1.91400 0.88200 1.61300 1.000 H39 H 3.05200 2.10700 1.00500 1.000 H40 H 0.15300 2.61600 1.81400 1.000 H41 H 1.59000 3.05000 2.77100 1.000 H42 H 2.37600 4.51100 0.92900 1.000 H43 H -0.26600 3.72700 -0.38400 1.000 H44 H 0.87200 4.95200 -0.99300 1.000 H45 H 2.63300 3.21800 -1.19400 1.000 H46 H 1.19600 2.78400 -2.15100 1.000 H47 H 0.91400 5.45400 2.69500 1.000 H48 H 0.61500 6.24600 1.12900 1.000 H49 H -0.52300 5.02000 1.73800 1.000 H50 H 3.00300 -0.85900 -3.32000 1.000 H51 H 3.14200 -2.63300 -3.28600 1.000 H52 H 1.53900 -1.86500 -3.20500 1.000 H53 H 4.08900 -1.27500 0.04000 1.000 H54 H 4.59400 -2.53100 -1.11500 1.000 H55 H 4.55700 -0.82300 -1.61700 1.000 H56 H 2.46600 -3.67300 2.85700 1.000