# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CTI' 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 2.89500 0.93700 -0.24200 1.000 C1 C 2.00000 -0.09800 0.02900 1.000 C2 C 2.51600 -1.41700 0.13100 1.000 C3 C 3.90100 -1.62700 0.18700 1.000 C4 C 0.56600 0.10000 0.24200 1.000 C5 C -0.26200 -1.04700 0.16300 1.000 C6 C 0.29600 -2.33200 0.09700 1.000 C7 C 1.63400 -2.51900 0.11900 1.000 N8 N 0.00500 1.26000 0.58600 1.000 C9 C -1.71300 -0.85600 0.10800 1.000 C10 C -2.20400 0.46800 0.23900 1.000 C11 C -1.28300 1.49400 0.50700 1.000 C12 C 0.79400 2.33000 1.20400 1.000 C13 C -4.44100 -0.36400 -0.06600 1.000 C14 C -3.94700 -1.66400 -0.14400 1.000 C15 C -2.60500 -1.91200 -0.06300 1.000 C16 C -3.58200 0.70600 0.11800 1.000 O17 O -4.07200 1.97200 0.18000 1.000 C18 C -4.17600 2.68900 -1.05100 1.000 O19 O -5.77900 -0.14500 -0.17100 1.000 C20 C -6.61100 -1.29100 -0.36000 1.000 C21 C 4.25400 0.70900 -0.25300 1.000 C22 C 4.76200 -0.57500 -0.01200 1.000 O23 O 5.31200 1.54300 -0.46200 1.000 C24 C 6.45000 0.71400 -0.73400 1.000 O25 O 6.12200 -0.49300 -0.02900 1.000 H26 H 2.54700 1.92400 -0.51300 1.000 H27 H 4.29000 -2.61600 0.38900 1.000 H28 H -0.35400 -3.19200 0.02500 1.000 H29 H 2.03400 -3.52200 0.12600 1.000 H30 H -1.63500 2.50400 0.65300 1.000 H31 H 1.20300 2.97500 0.42600 1.000 H32 H 0.15500 2.91700 1.86300 1.000 H33 H 1.60900 1.89400 1.78100 1.000 H34 H -4.63300 -2.48800 -0.27100 1.000 H35 H -2.24100 -2.92700 -0.13100 1.000 H36 H -3.18800 2.77900 -1.50300 1.000 H37 H -4.83800 2.15100 -1.73000 1.000 H38 H -4.58000 3.68300 -0.86000 1.000 H39 H -6.32500 -1.80100 -1.28000 1.000 H40 H -6.49100 -1.97000 0.48400 1.000 H41 H -7.65300 -0.97600 -0.42800 1.000 H42 H 6.54900 0.52500 -1.80300 1.000 H43 H 7.36100 1.16200 -0.33500 1.000