# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TX' 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 -4.56500 0.69600 -0.00400 1.000 C1 C -6.37000 -0.88100 -0.14900 1.000 C2 C -6.85800 -0.21400 -1.27300 1.000 C3 C -6.20400 0.90500 -1.74500 1.000 C4 C -5.05700 1.35700 -1.11500 1.000 O5 O 8.13900 -0.44100 -1.24500 1.000 C6 C 7.47400 -0.89100 -0.34300 1.000 O7 O 7.68700 -2.14400 0.08900 1.000 C8 C 6.40400 -0.04500 0.29800 1.000 N9 N 6.66600 1.37300 0.01700 1.000 C10 C 5.03800 -0.43300 -0.27100 1.000 C11 C 3.94000 0.33600 0.46800 1.000 C12 C 2.57400 -0.05200 -0.10100 1.000 C13 C 1.47700 0.71700 0.63700 1.000 N14 N 0.16900 0.34500 0.09200 1.000 C15 C -0.95200 0.90100 0.59200 1.000 O16 O -0.87800 1.71100 1.49500 1.000 O17 O -2.15500 0.56000 0.09200 1.000 C18 C -3.31900 1.19900 0.67900 1.000 C19 C -5.21600 -0.41800 0.48400 1.000 C20 C -7.05100 -2.03700 0.35300 1.000 C21 C -7.60900 -2.98400 0.76500 1.000 H22 H -7.75000 -0.56800 -1.76800 1.000 H23 H -6.58000 1.42300 -2.61500 1.000 H24 H -4.54400 2.22900 -1.49400 1.000 H25 H 8.38400 -2.64800 -0.35200 1.000 H26 H 6.40800 -0.20800 1.37600 1.000 H27 H 6.66700 1.55000 -0.97600 1.000 H28 H 6.00000 1.96500 0.48900 1.000 H29 H 5.00300 -0.18700 -1.33200 1.000 H30 H 4.88100 -1.50400 -0.14100 1.000 H31 H 3.97500 0.09000 1.52900 1.000 H32 H 4.09700 1.40700 0.33800 1.000 H33 H 2.53900 0.19400 -1.16300 1.000 H34 H 2.41800 -1.12300 0.02900 1.000 H35 H 1.51200 0.47100 1.69800 1.000 H36 H 1.63300 1.78800 0.50700 1.000 H37 H 0.10900 -0.30100 -0.62900 1.000 H38 H -3.24400 2.27800 0.55000 1.000 H39 H -3.36600 0.96100 1.74200 1.000 H40 H -4.83300 -0.93000 1.35500 1.000 H41 H -8.10800 -3.83100 1.13300 1.000