# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9C0' 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 2.54400 0.25600 1.08000 1.000 C1 C 0.77500 -1.00500 0.05600 1.000 C2 C 3.37300 -0.04900 0.01500 1.000 C3 C -2.18200 -3.32400 0.18700 1.000 C4 C -0.85600 -2.87200 0.17000 1.000 C5 C -0.61400 -1.51800 0.07900 1.000 C6 C -4.07500 1.04400 0.59700 1.000 C7 C 4.98500 1.34900 -1.24800 1.000 C8 C 4.78600 0.47400 -0.00900 1.000 C9 C 1.61800 -1.31400 -1.01200 1.000 C10 C 1.24900 -0.22000 1.10700 1.000 C11 C 2.91100 -0.83200 -1.02700 1.000 C12 C -3.20600 -2.45700 0.10500 1.000 C13 C -1.75800 -0.58500 0.00600 1.000 C14 C -4.23700 -0.29100 -0.12800 1.000 C15 C 5.04400 1.30500 1.25000 1.000 C16 C 5.76500 -0.70200 -0.05200 1.000 N17 N -1.45700 0.69000 -0.03200 1.000 N18 N -3.02300 -1.10100 0.00100 1.000 O19 O -2.14400 2.89200 0.75500 1.000 O20 O -2.79200 2.10400 -1.50200 1.000 S21 S -2.61500 1.86900 -0.11200 1.000 H22 H 2.91200 0.86400 1.89300 1.000 H23 H -2.38400 -4.38300 0.26300 1.000 H24 H -0.03700 -3.57300 0.22800 1.000 H25 H -4.96200 1.66000 0.44400 1.000 H26 H -3.92200 0.87200 1.66200 1.000 H27 H 4.28900 2.18700 -1.21700 1.000 H28 H 6.00800 1.72700 -1.26500 1.000 H29 H 4.80200 0.75700 -2.14400 1.000 H30 H 1.25900 -1.92800 -1.82400 1.000 H31 H 0.60400 0.01500 1.94100 1.000 H32 H 3.56300 -1.06700 -1.85500 1.000 H33 H -4.21500 -2.84300 0.12200 1.000 H34 H -5.07800 -0.83500 0.30300 1.000 H35 H -4.43300 -0.10600 -1.18400 1.000 H36 H 4.34700 2.14300 1.28100 1.000 H37 H 4.90200 0.68200 2.13200 1.000 H38 H 6.06600 1.68400 1.23200 1.000 H39 H 6.78700 -0.32400 -0.06900 1.000 H40 H 5.62300 -1.32500 0.83100 1.000 H41 H 5.58100 -1.29400 -0.94900 1.000