# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XY' 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 8.01600 1.22500 0.07600 1.000 N1 N 6.59500 0.97900 -0.20300 1.000 C2 C 5.84200 2.23900 -0.25200 1.000 C3 C 4.36900 1.94300 -0.54300 1.000 O4 O 3.80700 1.20800 0.54500 1.000 C5 C 2.49700 0.86200 0.44400 1.000 C6 C 1.77100 1.21900 -0.68400 1.000 C7 C 0.44200 0.87100 -0.79000 1.000 C8 C 1.88800 0.14700 1.46800 1.000 C9 C 0.55900 -0.20600 1.36900 1.000 C10 C -0.17500 0.15700 0.23900 1.000 C11 C -1.60200 -0.21900 0.12900 1.000 C12 C -2.64300 0.83200 0.10100 1.000 C13 C -3.51300 0.98400 1.18200 1.000 C14 C -4.48200 1.96400 1.15200 1.000 C15 C -4.59400 2.79900 0.04800 1.000 O16 O -5.55000 3.76400 0.02200 1.000 C17 C -3.73000 2.65100 -1.03000 1.000 C18 C -2.75500 1.67700 -1.00500 1.000 C19 C -1.95500 -1.52600 0.05500 1.000 C20 C -3.41100 -1.91400 0.06000 1.000 C21 C -3.90400 -2.06300 -1.38100 1.000 C22 C -0.91700 -2.56400 -0.03100 1.000 C23 C -0.07700 -2.62800 -1.14800 1.000 C24 C 0.89400 -3.60400 -1.22100 1.000 C25 C 1.03900 -4.51900 -0.19300 1.000 C26 C 0.21200 -4.46300 0.91600 1.000 C27 C -0.76100 -3.48900 1.00600 1.000 H28 H 8.11600 1.72900 1.03700 1.000 H29 H 8.55000 0.27500 0.10600 1.000 H30 H 8.43700 1.85300 -0.70900 1.000 H31 H 6.47900 0.45500 -1.05800 1.000 H32 H 5.92600 2.75000 0.70700 1.000 H33 H 6.24700 2.87500 -1.03900 1.000 H34 H 3.82800 2.88000 -0.66700 1.000 H35 H 4.29200 1.35400 -1.45800 1.000 H36 H 2.24900 1.77200 -1.48000 1.000 H37 H -0.12200 1.15000 -1.66800 1.000 H38 H 2.45700 -0.13300 2.34200 1.000 H39 H 0.08700 -0.76200 2.16500 1.000 H40 H -3.42700 0.33500 2.04000 1.000 H41 H -5.15600 2.08200 1.98700 1.000 H42 H -5.26300 4.61200 0.38800 1.000 H43 H -3.82000 3.30200 -1.88700 1.000 H44 H -2.08000 1.56600 -1.84100 1.000 H45 H -3.53200 -2.86200 0.58500 1.000 H46 H -3.99100 -1.14200 0.56500 1.000 H47 H -4.93100 -2.42800 -1.37700 1.000 H48 H -3.86500 -1.09400 -1.88000 1.000 H49 H -3.26800 -2.77100 -1.91200 1.000 H50 H -0.18900 -1.91500 -1.95200 1.000 H51 H 1.54300 -3.65500 -2.08300 1.000 H52 H 1.80100 -5.28200 -0.25600 1.000 H53 H 0.33100 -5.18000 1.71400 1.000 H54 H -1.40200 -3.44400 1.87400 1.000