# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0N6' 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 -2.11400 -1.11900 -0.79900 1.000 C1 C -3.11600 -1.10400 0.15900 1.000 C2 C -4.47500 -0.58000 -0.23100 1.000 C3 C -5.51900 -1.02100 0.79600 1.000 N4 N -5.02300 -0.68500 2.14000 1.000 C5 C -3.91100 -1.56700 2.50700 1.000 C6 C -2.85400 -1.55600 1.43400 1.000 C7 C -1.58600 -2.02000 1.75200 1.000 C8 C -0.58800 -2.03200 0.79800 1.000 C9 C -0.85300 -1.58200 -0.48100 1.000 S10 S 0.41600 -1.59800 -1.70400 1.000 O11 O 1.35500 -2.58200 -1.29400 1.000 O12 O -0.24100 -1.62700 -2.96300 1.000 N13 N 1.19800 -0.14100 -1.61800 1.000 C14 C 1.95300 0.21600 -0.41400 1.000 C15 C 3.40400 -0.14400 -0.60500 1.000 O16 O 3.77100 -0.64900 -1.64500 1.000 N17 N 4.29300 0.09500 0.37900 1.000 C18 C 5.73100 -0.20500 0.32600 1.000 C19 C 6.33700 0.21400 1.68200 1.000 C20 C 5.10900 0.20400 2.63000 1.000 C21 C 3.98500 0.70600 1.68500 1.000 C22 C 1.83000 1.72000 -0.16200 1.000 C23 C 0.39600 2.06100 0.15100 1.000 C24 C -0.47200 2.38900 -0.87000 1.000 C25 C -0.04900 2.03900 1.46100 1.000 C26 C -1.36500 2.35000 1.75700 1.000 C27 C -2.24200 2.68500 0.74600 1.000 C28 C -1.80100 2.70400 -0.57900 1.000 C29 C -2.70700 3.04600 -1.63300 1.000 N30 N -3.42600 3.31700 -2.47000 1.000 H31 H -2.32200 -0.77100 -1.80000 1.000 H32 H -4.44500 0.50900 -0.27100 1.000 H33 H -4.74500 -0.96900 -1.21200 1.000 H34 H -6.45800 -0.50000 0.61000 1.000 H35 H -5.67300 -2.09700 0.72100 1.000 H36 H -4.74800 0.28400 2.19200 1.000 H37 H -3.47500 -1.22700 3.44600 1.000 H38 H -4.28400 -2.58400 2.63100 1.000 H39 H -1.37800 -2.37200 2.75200 1.000 H40 H 0.39800 -2.39400 1.05200 1.000 H41 H 1.15700 0.47700 -2.36500 1.000 H42 H 1.55300 -0.33000 0.44100 1.000 H43 H 5.88100 -1.27300 0.16800 1.000 H44 H 6.19800 0.36100 -0.48000 1.000 H45 H 7.08400 -0.50800 2.01100 1.000 H46 H 6.76700 1.21400 1.61900 1.000 H47 H 4.90000 -0.80400 2.98900 1.000 H48 H 5.25300 0.89100 3.46400 1.000 H49 H 4.00800 1.79300 1.61000 1.000 H50 H 3.01200 0.37000 2.04200 1.000 H51 H 2.46200 2.00000 0.68100 1.000 H52 H 2.14700 2.26500 -1.05100 1.000 H53 H -0.12500 2.40200 -1.89300 1.000 H54 H 0.63300 1.77700 2.25600 1.000 H55 H -1.70600 2.33100 2.78100 1.000 H56 H -3.26800 2.92800 0.97900 1.000