# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '97H' 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 -2.39400 0.90700 0.00500 1.000 C1 C -3.78000 0.92300 0.00400 1.000 N2 N -4.46500 2.14100 0.00800 1.000 C3 C -4.48900 -0.27300 -0.00200 1.000 C4 C -3.81700 -1.48000 -0.00600 1.000 C5 C -2.43700 -1.50700 -0.00500 1.000 C6 C -1.71600 -0.31200 -0.00500 1.000 C7 C -0.23800 -0.33800 -0.00400 1.000 N8 N 0.40600 0.80100 -0.00400 1.000 C9 C 1.75300 0.85300 -0.00300 1.000 C10 C 2.43800 2.07200 -0.00400 1.000 C11 C 3.80400 2.08300 -0.00200 1.000 C12 C 4.52900 0.89800 0.00100 1.000 C13 C 3.88200 -0.31900 0.00200 1.000 C14 C 2.48900 -0.35400 0.00000 1.000 C15 C 1.74500 -1.62200 0.00200 1.000 O16 O 2.32200 -2.69300 0.00600 1.000 N17 N 0.39300 -1.55200 0.00400 1.000 H18 H -1.84100 1.83400 0.00900 1.000 H19 H -3.97000 2.97500 0.01100 1.000 H20 H -5.43500 2.15200 0.00700 1.000 H21 H -5.56900 -0.25800 -0.00200 1.000 H22 H -4.37300 -2.40600 -0.01100 1.000 H23 H -1.91500 -2.45300 -0.00800 1.000 H24 H 1.88800 3.00100 -0.00600 1.000 H25 H 4.32800 3.02700 -0.00400 1.000 H26 H 5.60800 0.93100 0.00200 1.000 H27 H 4.45000 -1.23700 0.00400 1.000 H28 H -0.13200 -2.36800 0.00600 1.000