# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YN' 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 -1.68900 -0.26900 2.17700 1.000 C1 C -1.84500 -0.49500 0.99600 1.000 C2 C -2.89100 -1.48400 0.55000 1.000 C3 C -4.14000 -0.73100 0.08600 1.000 C4 C -5.15400 -1.72600 -0.48200 1.000 C5 C -6.45000 -0.99200 -0.83000 1.000 C6 C -4.58000 -2.37400 -1.74400 1.000 N7 N -3.23900 -2.36700 1.67100 1.000 N8 N -1.08700 0.14300 0.08200 1.000 C9 C -0.07500 1.10900 0.51500 1.000 C10 C -0.67900 2.52800 0.59400 1.000 O11 O -2.05900 2.50600 0.22200 1.000 C12 C 0.14400 3.34400 -0.42800 1.000 C13 C 0.38100 4.76300 0.09100 1.000 O14 O 1.04100 5.53400 -0.91500 1.000 O15 O 1.39600 2.63400 -0.54300 1.000 C16 C 1.04200 1.23400 -0.54500 1.000 N17 N 2.19700 0.41500 -0.16800 1.000 C18 C 3.29900 0.84000 0.51200 1.000 N19 N 4.12900 -0.14900 0.67600 1.000 C20 C 3.61300 -1.26800 0.11400 1.000 C21 C 2.36500 -0.92100 -0.43000 1.000 C22 C 4.04600 -2.59900 -0.01600 1.000 N23 N 5.26300 -3.00200 0.50400 1.000 N24 N 3.25900 -3.46200 -0.65000 1.000 C25 C 2.09500 -3.08700 -1.15000 1.000 N26 N 1.64400 -1.85500 -1.04100 1.000 H27 H -2.50000 -2.08000 -0.27500 1.000 H28 H -4.58300 -0.20600 0.93300 1.000 H29 H -3.86600 -0.01200 -0.68500 1.000 H30 H -5.36100 -2.49800 0.25900 1.000 H31 H -6.24200 -0.22000 -1.57200 1.000 H32 H -7.17200 -1.70100 -1.23500 1.000 H33 H -6.85900 -0.53000 0.06900 1.000 H34 H -3.65700 -2.89700 -1.49600 1.000 H35 H -5.30200 -3.08300 -2.14900 1.000 H36 H -4.37200 -1.60200 -2.48600 1.000 H37 H -3.60500 -1.83800 2.44800 1.000 H38 H -3.89100 -3.08000 1.38000 1.000 H39 H -1.21200 -0.03800 -0.86300 1.000 H40 H 0.34400 0.81600 1.47800 1.000 H41 H -0.56000 2.94000 1.59600 1.000 H42 H -2.48900 3.37200 0.25300 1.000 H43 H -0.36800 3.37300 -1.39000 1.000 H44 H -0.57500 5.22600 0.33400 1.000 H45 H 1.00300 4.72400 0.98500 1.000 H46 H 1.22400 6.44700 -0.65400 1.000 H47 H 0.66900 0.93800 -1.52500 1.000 H48 H 3.46100 1.84900 0.86300 1.000 H49 H 5.82900 -2.36200 0.96500 1.000 H50 H 5.55100 -3.92300 0.40800 1.000 H51 H 1.48700 -3.82000 -1.65800 1.000