# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C5I' 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 1.72700 -1.96200 -0.95200 1.000 C1 C 2.56400 -3.00400 -1.09300 1.000 N2 N 3.78300 -2.69400 -0.55500 1.000 C3 C 3.76100 -1.41800 -0.04300 1.000 C4 C 2.47400 -0.90700 -0.26900 1.000 C5 C 2.17100 0.39500 0.15800 1.000 C6 C 3.17700 1.13800 0.80100 1.000 C7 C 4.43600 0.54600 0.98500 1.000 N8 N 4.68000 -0.67400 0.57100 1.000 N9 N 2.65700 2.34000 1.11500 1.000 N10 N 1.43100 2.41000 0.72900 1.000 N11 N 1.06900 1.20100 0.11400 1.000 C12 C -0.23700 0.86900 -0.46200 1.000 C13 C -0.56500 1.85600 -1.58500 1.000 C14 C -1.91400 1.49000 -2.21000 1.000 C15 C -3.00900 1.58900 -1.14300 1.000 N16 N -2.62900 0.75300 0.00400 1.000 C17 C -1.31300 0.96100 0.62400 1.000 C18 C -3.47100 -0.18600 0.47900 1.000 O19 O -3.14600 -0.86900 1.42600 1.000 C20 C -4.81800 -0.38700 -0.16800 1.000 C21 C -5.54200 -1.46200 0.53000 1.000 N22 N -6.10000 -2.29200 1.06800 1.000 H23 H 0.70100 -1.91300 -1.28300 1.000 H24 H 2.31300 -3.94400 -1.56100 1.000 H25 H 4.55000 -3.28700 -0.53700 1.000 H26 H 5.21800 1.10500 1.47700 1.000 H27 H -0.21000 -0.14400 -0.86400 1.000 H28 H -0.61600 2.86600 -1.17800 1.000 H29 H 0.21200 1.81100 -2.34700 1.000 H30 H -2.13600 2.17900 -3.02400 1.000 H31 H -1.87200 0.47200 -2.59500 1.000 H32 H -3.11400 2.62500 -0.82200 1.000 H33 H -3.95400 1.23400 -1.55600 1.000 H34 H -1.13900 0.19200 1.37700 1.000 H35 H -1.28000 1.94600 1.08900 1.000 H36 H -5.39200 0.53800 -0.10600 1.000 H37 H -4.68100 -0.66000 -1.21400 1.000