# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C8Q' 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 0.28700 0.54300 1.28000 1.000 O1 O -4.59000 -2.48700 -1.34400 1.000 C2 C -3.48100 -1.88800 -0.88200 1.000 O3 O -2.39500 -2.24100 -1.27500 1.000 C4 C -3.59200 -0.77400 0.12700 1.000 C5 C -4.38100 0.37600 -0.49400 1.000 S6 S -3.23700 1.78700 -0.43300 1.000 C7 C -1.89500 0.91200 0.32200 1.000 C8 C -0.64300 1.39100 0.68600 1.000 O9 O -0.32400 2.69600 0.46100 1.000 C10 C -1.32400 3.51200 -0.15200 1.000 C11 C 1.64900 1.04900 1.68000 1.000 C12 C 2.57600 0.98900 0.49300 1.000 C13 C 2.73200 2.07700 -0.30900 1.000 C14 C 3.58500 2.04100 -1.41100 1.000 C15 C 4.28600 0.91600 -1.71700 1.000 C16 C 4.15100 -0.22900 -0.91200 1.000 C17 C 4.86300 -1.40700 -1.19300 1.000 C18 C 4.71500 -2.49200 -0.38500 1.000 C19 C 3.86600 -2.45400 0.71900 1.000 C20 C 3.16000 -1.33000 1.02200 1.000 C21 C 3.28800 -0.19000 0.21200 1.000 C22 C -0.07100 -0.77300 1.49900 1.000 C23 C -1.33500 -1.21400 1.12600 1.000 O24 O -1.64000 -2.38100 1.32600 1.000 N25 N -2.24700 -0.37900 0.54400 1.000 H26 H -4.46800 -3.19700 -1.99000 1.000 H27 H -4.13600 -1.14100 0.99700 1.000 H28 H -4.64500 0.14400 -1.52600 1.000 H29 H -5.27500 0.58500 0.09200 1.000 H30 H -2.21300 3.53200 0.47800 1.000 H31 H -0.94200 4.52500 -0.27400 1.000 H32 H -1.58000 3.10000 -1.12900 1.000 H33 H 1.56700 2.08000 2.02400 1.000 H34 H 2.04600 0.42800 2.48300 1.000 H35 H 2.18700 2.98300 -0.08800 1.000 H36 H 3.69000 2.91800 -2.03100 1.000 H37 H 4.94300 0.90200 -2.57400 1.000 H38 H 5.52400 -1.45100 -2.04600 1.000 H39 H 5.26300 -3.39700 -0.60300 1.000 H40 H 3.76600 -3.33000 1.34400 1.000 H41 H 2.50600 -1.31500 1.88100 1.000 H42 H 0.62800 -1.45600 1.95800 1.000