# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0QI' 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 1.20700 -0.86200 0.44800 1.000 O1 O 1.24700 -1.30400 1.57700 1.000 C2 C 2.24500 0.12900 -0.01200 1.000 C3 C 1.55900 1.43300 -0.42200 1.000 S4 S 2.68100 2.40400 -1.46600 1.000 C5 C 3.22600 0.40600 1.13000 1.000 C6 C 4.36100 1.29700 0.62200 1.000 C7 C 5.29900 1.63800 1.78100 1.000 C8 C 5.14200 0.55800 -0.46700 1.000 N9 N 0.23700 -1.26300 -0.39800 1.000 C10 C -0.76900 -2.23000 0.04700 1.000 C11 C -0.23500 -3.62800 -0.13400 1.000 O12 O 0.87200 -3.79800 -0.58700 1.000 C13 C -2.04300 -2.06000 -0.78400 1.000 C14 C -2.64400 -0.70600 -0.50900 1.000 C15 C -2.27400 0.38200 -1.27700 1.000 C16 C -3.56900 -0.55500 0.50800 1.000 C17 C -2.82400 1.62500 -1.02700 1.000 C18 C -4.12200 0.68600 0.76100 1.000 C19 C -3.74800 1.78000 -0.00400 1.000 O20 O -4.29000 3.00200 0.24400 1.000 O21 O -0.99000 -4.68400 0.20900 1.000 C22 C -5.23400 3.08700 1.31200 1.000 H23 H 2.78600 -0.28100 -0.86400 1.000 H24 H 0.65000 1.20600 -0.97900 1.000 H25 H 1.30400 2.00600 0.46900 1.000 H26 H 1.95700 3.50300 -1.74700 1.000 H27 H 2.70400 0.91000 1.94300 1.000 H28 H 3.63800 -0.53600 1.49200 1.000 H29 H 3.94400 2.21600 0.20900 1.000 H30 H 5.71600 0.71900 2.19300 1.000 H31 H 6.10800 2.27300 1.41900 1.000 H32 H 4.74300 2.16500 2.55600 1.000 H33 H 5.55800 -0.36100 -0.05400 1.000 H34 H 4.47300 0.31500 -1.29200 1.000 H35 H 5.95000 1.19300 -0.82800 1.000 H36 H 0.20400 -0.91000 -1.30100 1.000 H37 H -0.99600 -2.06100 1.09900 1.000 H38 H -1.80000 -2.14100 -1.84300 1.000 H39 H -2.75900 -2.83700 -0.51400 1.000 H40 H -1.55400 0.26100 -2.07300 1.000 H41 H -3.86000 -1.40700 1.10400 1.000 H42 H -2.53400 2.47500 -1.62800 1.000 H43 H -4.84500 0.80300 1.55500 1.000 H44 H -0.60400 -5.56100 0.07500 1.000 H45 H -6.07800 2.42900 1.10500 1.000 H46 H -4.75800 2.78400 2.24400 1.000 H47 H -5.58800 4.11400 1.40300 1.000