# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TR' 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 4.07100 -0.93100 -0.01100 1.000 C1 C 5.93400 0.58400 0.13300 1.000 C2 C 6.42200 0.09300 -1.10500 1.000 C3 C 5.73800 -0.88900 -1.75800 1.000 O4 O -8.56700 0.82300 -1.20900 1.000 C5 C -7.90600 1.08500 -0.23200 1.000 O6 O -8.09000 2.24800 0.41100 1.000 C7 C -6.87400 0.10500 0.26400 1.000 N8 N -7.17300 -1.23200 -0.26700 1.000 C9 C -5.48600 0.54200 -0.20800 1.000 C10 C -4.42700 -0.38100 0.39800 1.000 C11 C -3.03900 0.05700 -0.07500 1.000 C12 C -1.98000 -0.86600 0.53200 1.000 N13 N -0.65100 -0.44700 0.07900 1.000 C14 C 0.44300 -1.11900 0.48900 1.000 O15 O 0.32700 -2.07200 1.23400 1.000 O16 O 1.66500 -0.73400 0.07300 1.000 C17 C 2.79800 -1.50400 0.55500 1.000 C18 C 4.73600 0.04700 0.66900 1.000 N19 N 6.59200 1.53300 0.78300 1.000 N20 N 7.54100 1.95400 0.35200 1.000 N21 N 8.49000 2.37600 -0.07800 1.000 C22 C 4.56500 -1.40400 -1.22000 1.000 H23 H 7.33300 0.49200 -1.52600 1.000 H24 H 6.10600 -1.26500 -2.70100 1.000 H25 H -8.76300 2.84500 0.05500 1.000 H26 H -6.89500 0.07600 1.35400 1.000 H27 H -7.16000 -1.23200 -1.27600 1.000 H28 H -6.53400 -1.91900 0.10300 1.000 H29 H -5.43800 0.48500 -1.29600 1.000 H30 H -5.30000 1.56700 0.11100 1.000 H31 H -4.47500 -0.32400 1.48500 1.000 H32 H -4.61300 -1.40600 0.07900 1.000 H33 H -2.99100 0.00000 -1.16200 1.000 H34 H -2.85300 1.08200 0.24400 1.000 H35 H -2.02800 -0.80900 1.61900 1.000 H36 H -2.16600 -1.89100 0.21300 1.000 H37 H -0.55800 0.31400 -0.51500 1.000 H38 H 2.69400 -2.54100 0.23700 1.000 H39 H 2.83100 -1.45900 1.64300 1.000 H40 H 4.35200 0.41000 1.61100 1.000 H41 H 4.03200 -2.18200 -1.74700 1.000