# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'NT' 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 1.28600 0.37200 8.75500 1.000 N1 N 0.37500 0.39600 9.68800 1.000 N2 N 2.61600 0.45400 9.09100 1.000 N3 N 0.91500 0.26400 7.43600 1.000 C4 C -0.50200 0.17700 7.07800 1.000 C5 C -0.63700 0.06700 5.58100 1.000 O6 O 0.35300 0.06300 4.88200 1.000 N7 N -1.85900 -0.02500 5.02000 1.000 C8 C -1.98500 -0.12700 3.62200 1.000 C9 C -0.93100 -0.14400 2.69600 1.000 C10 C -1.49500 -0.25500 1.44300 1.000 N11 N -2.86100 -0.29900 1.60100 1.000 C12 C -3.84300 -0.41400 0.52000 1.000 C13 C -3.14800 -0.22600 2.92700 1.000 C14 C -0.77000 -0.31000 0.16900 1.000 O15 O -1.38400 -0.31100 -0.88100 1.000 N16 N 0.57600 -0.36000 0.16300 1.000 C17 C 1.27600 -0.29500 -1.05500 1.000 C18 C 0.70700 -0.17700 -2.33000 1.000 C19 C 1.74500 -0.14200 -3.23700 1.000 N20 N 2.92100 -0.24500 -2.52900 1.000 C21 C 4.26700 -0.25100 -3.10700 1.000 C22 C 2.62700 -0.33400 -1.20600 1.000 C23 C 1.61900 -0.02500 -4.69300 1.000 O24 O 2.60800 -0.10300 -5.39800 1.000 N25 N 0.40800 0.16800 -5.25200 1.000 C26 C 0.26500 0.17400 -6.71000 1.000 C27 C -1.19900 0.41200 -7.07800 1.000 C28 C -1.34600 0.41800 -8.57800 1.000 N29 N -0.30900 0.23700 -9.33000 1.000 N30 N -2.57700 0.61500 -9.14500 1.000 H31 H 0.63700 0.47200 10.61900 1.000 H32 H 2.87800 0.53000 10.02200 1.000 H33 H 3.29300 0.43600 8.39700 1.000 H34 H 1.59200 0.24600 6.74200 1.000 H35 H -1.02100 1.07100 7.42500 1.000 H36 H -0.94200 -0.70200 7.54800 1.000 H37 H -2.65100 -0.02100 5.57900 1.000 H38 H 0.12200 -0.08200 2.92200 1.000 H39 H -4.19400 0.57800 0.24000 1.000 H40 H -3.37900 -0.89300 -0.34100 1.000 H41 H -4.68700 -1.01600 0.85900 1.000 H42 H -4.13900 -0.24100 3.35800 1.000 H43 H 1.06300 -0.44100 0.99800 1.000 H44 H -0.34600 -0.12100 -2.56000 1.000 H45 H 4.59500 -1.28000 -3.25400 1.000 H46 H 4.25300 0.26600 -4.06600 1.000 H47 H 4.95500 0.25500 -2.43000 1.000 H48 H 3.34700 -0.42200 -0.40600 1.000 H49 H -0.36900 0.30300 -4.68800 1.000 H50 H 0.88000 0.96900 -7.13100 1.000 H51 H 0.58900 -0.78600 -7.11000 1.000 H52 H -1.81400 -0.38200 -6.65600 1.000 H53 H -1.52300 1.37300 -6.67800 1.000 H54 H -0.40300 0.24100 -10.29500 1.000 H55 H -2.67100 0.61900 -10.11100 1.000 H56 H -3.35500 0.75100 -8.58200 1.000