# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5TD' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 4.58400 -1.80500 -0.34500 1.000 C1 C 4.39300 -0.63400 -0.09200 1.000 N2 N 5.42700 0.23000 -0.08500 1.000 C3 C 5.33900 1.67200 0.21000 1.000 C4 C 6.75600 2.06400 0.69800 1.000 C5 C 7.65400 1.18800 -0.21600 1.000 C6 C 6.83000 -0.10900 -0.36300 1.000 C7 C 3.00000 -0.14500 0.20700 1.000 C8 C 2.01900 -1.31700 0.12700 1.000 C9 C 0.60400 -0.82000 0.43000 1.000 C10 C 0.15600 0.14900 -0.66700 1.000 C11 C -1.28200 0.59500 -0.39100 1.000 N12 N -2.16300 -0.57900 -0.36000 1.000 C13 C -1.78000 -1.50200 0.71700 1.000 C14 C -0.35800 -2.01000 0.47300 1.000 C15 C -3.49600 -0.19900 -0.24100 1.000 C16 C -4.49300 -1.16900 -0.19400 1.000 C17 C -5.81300 -0.79700 -0.07700 1.000 C18 C -6.15200 0.55700 -0.00500 1.000 C19 C -7.52400 0.94800 0.11800 1.000 N20 N -8.61300 1.25800 0.21500 1.000 C21 C -5.14800 1.52900 -0.05200 1.000 C22 C -3.83000 1.15000 -0.16400 1.000 H23 H 5.08100 2.22900 -0.69100 1.000 H24 H 4.60400 1.85500 0.99400 1.000 H25 H 6.94800 3.12400 0.53100 1.000 H26 H 6.89500 1.80400 1.74700 1.000 H27 H 7.80300 1.66600 -1.18300 1.000 H28 H 8.61000 0.98200 0.26600 1.000 H29 H 7.17900 -0.85600 0.35000 1.000 H30 H 6.92400 -0.49200 -1.37900 1.000 H31 H 2.97200 0.28400 1.20900 1.000 H32 H 2.71700 0.61500 -0.52200 1.000 H33 H 2.04700 -1.74500 -0.87500 1.000 H34 H 2.30200 -2.07700 0.85500 1.000 H35 H 0.59600 -0.31000 1.39300 1.000 H36 H 0.81200 1.02000 -0.67400 1.000 H37 H 0.20200 -0.35000 -1.63500 1.000 H38 H -1.32500 1.10700 0.57100 1.000 H39 H -1.60900 1.27500 -1.17800 1.000 H40 H -1.82100 -0.98000 1.67300 1.000 H41 H -2.47000 -2.34600 0.73400 1.000 H42 H -0.31900 -2.54400 -0.47700 1.000 H43 H -0.06800 -2.68300 1.28100 1.000 H44 H -4.23100 -2.21600 -0.25100 1.000 H45 H -6.58600 -1.55100 -0.04100 1.000 H46 H -5.40700 2.57600 0.00400 1.000 H47 H -3.05400 1.90000 -0.20000 1.000