# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94T' 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 -4.78300 1.67400 0.81800 1.000 C1 C -4.90600 3.18400 -0.96100 1.000 C2 C -4.04900 2.34800 -1.71600 1.000 C3 C -3.59400 1.20300 -1.16300 1.000 N4 N -3.96800 0.87100 0.11100 1.000 O5 O -5.09800 1.36200 1.95000 1.000 N6 N -5.25100 2.82100 0.29100 1.000 O7 O -5.32900 4.22200 -1.43900 1.000 C8 C -3.47500 -0.37100 0.71100 1.000 O9 O -2.04500 -0.48400 0.54500 1.000 C10 C -4.02500 -1.60300 -0.05300 1.000 O11 O -5.30700 -1.98400 0.45100 1.000 C12 C -2.96300 -2.68300 0.26500 1.000 O13 O -3.40100 -3.51400 1.34100 1.000 C14 C -1.71500 -1.87700 0.67500 1.000 C15 C -0.54500 -2.22300 -0.24700 1.000 O16 O 0.63200 -1.54800 0.20200 1.000 P17 P 2.05600 -1.68300 -0.53600 1.000 O18 O 2.58200 -3.20000 -0.41400 1.000 O19 O 1.90700 -1.32600 -1.96500 1.000 O20 O 3.11600 -0.69000 0.15700 1.000 P21 P 4.51700 -0.04700 -0.30800 1.000 O22 O 5.66900 -1.17100 -0.25000 1.000 O23 O 4.39200 0.45900 -1.69300 1.000 O24 O 4.90400 1.16800 0.67500 1.000 C25 C 6.04000 2.00900 0.46400 1.000 C26 C 6.11300 3.05600 1.57700 1.000 C27 C 7.32900 3.95600 1.35100 1.000 H28 H -3.76200 2.62200 -2.72000 1.000 H29 H -2.93900 0.55200 -1.72300 1.000 H30 H -5.83800 3.38900 0.81400 1.000 H31 H -3.74600 -0.42100 1.76500 1.000 H32 H -4.07300 -1.40600 -1.12400 1.000 H33 H -5.69300 -2.75000 0.00400 1.000 H34 H -2.75400 -3.28500 -0.62000 1.000 H35 H -4.21600 -4.00100 1.15600 1.000 H36 H -1.45100 -2.10000 1.70900 1.000 H37 H -0.37500 -3.30000 -0.23000 1.000 H38 H -0.77900 -1.90900 -1.26400 1.000 H39 H 2.70200 -3.50200 0.49600 1.000 H40 H 5.80600 -1.54800 0.62900 1.000 H41 H 6.94600 1.40300 0.47400 1.000 H42 H 5.94700 2.50900 -0.50000 1.000 H43 H 5.20600 3.66100 1.56700 1.000 H44 H 6.20500 2.55500 2.54100 1.000 H45 H 7.38200 4.70200 2.14400 1.000 H46 H 8.23600 3.35100 1.36100 1.000 H47 H 7.23700 4.45600 0.38700 1.000