# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9AA' 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 -1.19900 -1.07600 -1.01300 1.000 C1 C -2.44000 -1.55500 -0.64000 1.000 C2 C -3.00600 0.60100 0.25400 1.000 C3 C -0.85700 0.23800 -0.75500 1.000 C4 C -3.34700 -0.71800 -0.00600 1.000 C5 C -1.76000 1.07900 -0.12100 1.000 C6 C 2.83300 1.17400 -0.36200 1.000 C7 C 3.02400 -0.96500 0.20800 1.000 C8 C 1.46000 0.65800 0.02200 1.000 C9 C -4.85000 -2.55800 0.06100 1.000 C10 C -2.40200 3.18000 0.78900 1.000 C11 C 0.49700 0.75700 -1.16300 1.000 N12 N 3.67000 0.12900 -0.21200 1.000 N13 N 1.70700 -0.75100 0.37500 1.000 O14 O 3.11700 2.29400 -0.73100 1.000 O15 O 0.94800 1.37600 1.14500 1.000 O16 O -4.56800 -1.18900 0.36000 1.000 O17 O -1.42300 2.37100 0.13200 1.000 S18 S 3.78900 -2.46900 0.49800 1.000 H19 H -0.49300 -1.73100 -1.50200 1.000 H20 H -2.70400 -2.58300 -0.84200 1.000 H21 H -3.71100 1.25400 0.74700 1.000 H22 H -5.85500 -2.80500 0.40500 1.000 H23 H -4.78600 -2.71500 -1.01600 1.000 H24 H -4.12600 -3.19700 0.56600 1.000 H25 H -2.00600 4.18600 0.93000 1.000 H26 H -3.30300 3.22700 0.17800 1.000 H27 H -2.64200 2.74400 1.75800 1.000 H28 H 0.87900 0.16300 -1.99300 1.000 H29 H 0.40900 1.79900 -1.47300 1.000 H30 H 4.62400 0.16500 -0.38800 1.000 H31 H 1.04800 -1.39800 0.67100 1.000 H32 H 1.50300 1.31900 1.93500 1.000