# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'TTE' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.17200 0.44300 -5.00100 1.000 C1 C 0.53400 -0.84400 -4.85700 1.000 O2 O -0.06100 -1.55000 -4.06600 1.000 N3 N 1.54600 -1.36300 -5.57800 1.000 C4 C 2.21300 -0.59500 -6.46300 1.000 O5 O 3.12900 -1.06300 -7.11500 1.000 C6 C 1.84600 0.76200 -6.62000 1.000 C7 C 2.57800 1.64300 -7.59900 1.000 C8 C 0.82700 1.25600 -5.88500 1.000 C9 C -0.93300 0.97900 -4.20300 1.000 C10 C -2.22300 0.19000 -4.50000 1.000 C11 C -2.64900 -0.37200 -3.12200 1.000 O12 O -4.06400 -0.27800 -2.94800 1.000 C13 C -1.90600 0.57100 -2.14200 1.000 O14 O -0.64600 0.82400 -2.80300 1.000 C15 C -1.68400 -0.11700 -0.79400 1.000 O16 O -0.99900 0.77200 0.08800 1.000 P17 P -0.79900 -0.01300 1.47900 1.000 O18 O -0.00000 -1.23700 1.24300 1.000 O19 O -2.23700 -0.41800 2.07800 1.000 O20 O -0.02900 0.93600 2.52600 1.000 P21 P 0.13500 0.09100 3.88700 1.000 O22 O 0.91900 -1.13400 3.61400 1.000 O23 O -1.31800 -0.31500 4.44500 1.000 C24 C 1.00300 1.10300 5.13000 1.000 P25 P 1.18900 0.14600 6.67000 1.000 O26 O 1.97300 -1.07800 6.39800 1.000 O27 O 1.95600 1.04000 7.76800 1.000 O28 O -0.26400 -0.25900 7.22900 1.000 H29 H 1.79400 -2.29300 -5.46200 1.000 H30 H 3.36100 1.06600 -8.09200 1.000 H31 H 1.87800 2.01700 -8.34600 1.000 H32 H 3.02600 2.48300 -7.06800 1.000 H33 H 0.53000 2.28900 -5.99400 1.000 H34 H -1.08100 2.03300 -4.43700 1.000 H35 H -2.99300 0.85300 -4.89500 1.000 H36 H -2.02200 -0.62100 -5.19800 1.000 H37 H -2.31100 -1.40100 -3.00100 1.000 H38 H -4.46800 -0.81400 -3.64400 1.000 H39 H -2.46100 1.50000 -2.00900 1.000 H40 H -2.64700 -0.38900 -0.36100 1.000 H41 H -1.08500 -1.01600 -0.94100 1.000 H42 H -2.72400 0.40500 2.21600 1.000 H43 H -1.79500 0.50900 4.61000 1.000 H44 H 1.98700 1.37800 4.75100 1.000 H45 H 0.42500 2.00600 5.33000 1.000 H46 H 2.03300 0.49800 8.56500 1.000 H47 H -0.74100 0.56500 7.39300 1.000