# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '99X' 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 1.99200 2.76000 0.25000 1.000 C1 C -3.17200 1.40600 0.46500 1.000 C2 C -4.40200 1.26800 1.39700 1.000 C3 C -4.11300 -0.08800 2.09400 1.000 C4 C -2.31300 -1.76400 1.56400 1.000 C5 C 1.68700 0.47500 -0.31000 1.000 C6 C 2.37400 -0.73100 -0.40700 1.000 N7 N 3.69000 -0.47600 -0.04500 1.000 C8 C 3.84600 0.83600 0.27200 1.000 C9 C 0.33300 0.65400 -0.60000 1.000 C10 C -0.38700 -0.48100 -1.00900 1.000 C11 C 0.27200 -1.67600 -1.09700 1.000 C12 C 1.63000 -1.82300 -0.81400 1.000 C13 C 2.54700 1.50000 0.11000 1.000 C14 C 0.63900 2.95400 -0.02500 1.000 C15 C -0.19200 1.94700 -0.44100 1.000 O16 O 4.88100 1.36800 0.62800 1.000 C17 C 4.75800 -1.47800 -0.01000 1.000 S18 S -2.10200 -0.36700 -1.39900 1.000 O19 O -2.24100 0.74400 -2.27400 1.000 O20 O -2.52500 -1.68100 -1.73700 1.000 N21 N -2.89600 0.03600 -0.00200 1.000 C22 C 4.80800 -2.12100 1.37800 1.000 C23 C -3.44200 -0.91500 0.97700 1.000 O24 O -1.42700 -0.92700 2.31000 1.000 H25 H 2.60300 3.58900 0.57600 1.000 H26 H -3.40700 2.05500 -0.37900 1.000 H27 H -2.31900 1.79700 1.01800 1.000 H28 H -4.43600 2.08000 2.12200 1.000 H29 H -5.32600 1.22100 0.82000 1.000 H30 H -3.43200 0.04800 2.93400 1.000 H31 H -5.04000 -0.55800 2.42200 1.000 H32 H -2.73400 -2.52400 2.22200 1.000 H33 H -1.76300 -2.24600 0.75600 1.000 H34 H -0.28400 -2.54700 -1.41200 1.000 H35 H 2.10000 -2.79100 -0.91100 1.000 H36 H 0.22700 3.94500 0.09500 1.000 H37 H -1.23200 2.14700 -0.65000 1.000 H38 H 4.56100 -2.24600 -0.75800 1.000 H39 H 5.71300 -0.99900 -0.22300 1.000 H40 H 3.85300 -2.60000 1.59100 1.000 H41 H 5.60300 -2.86700 1.40400 1.000 H42 H 5.00500 -1.35400 2.12700 1.000 H43 H -4.18100 -1.55800 0.49800 1.000 H44 H -0.68500 -1.39900 2.71200 1.000