# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'TT' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P -3.58800 -2.21500 -3.16700 1.000 O1 O -4.12700 -1.74400 -1.71700 1.000 O2 O -4.53700 -1.99100 -4.30800 1.000 O3 O -2.16000 -1.46600 -3.30800 1.000 C4 C -1.20700 -1.62700 -2.27300 1.000 C5 C 0.04100 -0.83300 -2.63500 1.000 O6 O -0.30200 0.56800 -2.74600 1.000 C7 C 1.13600 -0.93000 -1.57100 1.000 O8 O 2.37200 -0.82700 -2.28100 1.000 C9 C 0.81700 0.26000 -0.68400 1.000 C10 C 0.36000 1.29700 -1.69400 1.000 N11 N -0.49300 2.35100 -1.11400 1.000 C12 C -1.86400 2.09100 -0.91500 1.000 O13 O -2.45500 1.09500 -1.34200 1.000 N14 N -2.58600 3.03800 -0.18400 1.000 C15 C -2.18800 4.27300 0.31000 1.000 O16 O -2.96800 5.01600 0.91400 1.000 C17 C -0.73100 4.61800 0.03600 1.000 C18 C -0.10700 5.25300 1.29000 1.000 C19 C 0.21900 3.48900 -0.43300 1.000 C20 C 3.53100 -0.61000 -1.48700 1.000 O21 O 3.96600 0.74600 -1.59000 1.000 C22 C 4.60500 1.00100 -2.84400 1.000 C23 C 4.59500 2.49300 -3.16500 1.000 O24 O 3.23500 2.87200 -3.47500 1.000 C25 C 5.05800 3.39500 -2.02600 1.000 O26 O 5.86700 4.44700 -2.54900 1.000 C27 C 3.77200 3.99900 -1.50700 1.000 C28 C 2.92900 4.09100 -2.77300 1.000 N29 N 1.47300 4.24600 -2.61200 1.000 C30 C 0.68700 4.27000 -3.77900 1.000 O31 O 1.12200 4.00500 -4.90400 1.000 N32 N -0.65200 4.64300 -3.61600 1.000 C33 C -1.28600 5.21100 -2.51100 1.000 O34 O -2.46900 5.56500 -2.55600 1.000 C35 C -0.10500 6.85900 -1.06100 1.000 C36 C 0.93300 4.58600 -1.27600 1.000 C37 C -0.38200 5.37800 -1.27900 1.000 O38 O -3.16600 -3.75700 -2.92300 1.000 H39 H -5.02400 -2.02000 -1.43100 1.000 H40 H -1.62600 -1.25600 -1.33700 1.000 H41 H -0.96000 -2.68400 -2.17200 1.000 H42 H 0.39200 -1.16200 -3.61900 1.000 H43 H 1.12800 -1.88300 -1.03300 1.000 H44 H 1.23100 1.76600 -2.15100 1.000 H45 H -0.00300 -0.00300 -0.00400 1.000 H46 H 1.64500 0.63100 -0.07600 1.000 H47 H 4.32400 -1.28100 -1.83700 1.000 H48 H 3.35100 -0.84800 -0.43300 1.000 H49 H 0.84600 3.10000 0.37800 1.000 H50 H -3.56300 2.80500 -0.02600 1.000 H51 H 0.79100 4.70800 1.59600 1.000 H52 H 0.17000 6.29400 1.09700 1.000 H53 H -0.82000 5.23400 2.11900 1.000 H54 H 1.67100 5.14700 -0.68700 1.000 H55 H 4.08900 0.46200 -3.64800 1.000 H56 H 5.63500 0.63700 -2.77800 1.000 H57 H 5.18500 2.66100 -4.07300 1.000 H58 H 5.64400 2.88400 -1.25700 1.000 H59 H 3.27000 4.92200 -3.40600 1.000 H60 H 6.57500 4.59600 -1.90400 1.000 H61 H 3.31400 3.31100 -0.78600 1.000 H62 H 3.91200 4.97500 -1.03300 1.000 H63 H -1.22400 4.57700 -4.45400 1.000 H64 H -0.51900 7.45100 -1.88300 1.000 H65 H -0.56400 7.19800 -0.12800 1.000 H66 H 0.97100 7.05200 -1.00600 1.000 H67 H -3.86700 -4.44300 -2.89600 1.000