# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5T9' 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 1.38200 0.73800 -1.21900 1.000 C1 C 0.01900 1.15700 -0.84600 1.000 C2 C 0.19200 1.93600 0.48100 1.000 C3 C 1.53400 2.67500 0.23500 1.000 C4 C 2.34500 1.65400 -0.58900 1.000 C5 C 3.26900 0.88200 0.31700 1.000 S6 S -1.16200 3.11300 0.72400 1.000 N7 N 4.44200 1.42300 0.70200 1.000 O8 O 2.95800 -0.22600 0.69900 1.000 C9 C 5.34100 0.67200 1.58300 1.000 C10 C 5.35300 -0.82100 1.37800 1.000 N11 N 5.03600 -1.31400 0.24100 1.000 C12 C 6.65600 1.34200 1.98600 1.000 C13 C 5.52800 1.19200 3.00900 1.000 O14 O -2.40300 4.19200 0.94600 1.000 O15 O -0.86700 3.76200 -0.77600 1.000 C16 C -2.32500 1.73800 0.90200 1.000 C17 C -3.46700 1.69400 0.12100 1.000 C18 C -4.35700 0.64400 0.25600 1.000 C19 C -4.10400 -0.36500 1.17300 1.000 C20 C -2.95800 -0.31700 1.95500 1.000 C21 C -2.06900 0.73100 1.81300 1.000 Cl22 Cl -3.78300 2.95700 -1.02600 1.000 O23 O -4.97700 -1.39700 1.30800 1.000 C24 C -4.65200 -2.40000 2.27200 1.000 C25 C 1.69500 -0.31300 -2.00200 1.000 C26 C 0.60900 -1.23500 -2.49400 1.000 O27 O 2.85000 -0.51700 -2.31100 1.000 C28 C -0.52400 -0.51300 -3.24600 1.000 N29 N 0.27000 -0.75300 -4.47100 1.000 C30 C 0.93400 -1.91400 -3.83700 1.000 C31 C 0.12200 -2.18800 -1.43300 1.000 N32 N -1.14400 -2.16000 -1.06400 1.000 C33 C -1.61500 -2.97400 -0.14000 1.000 C34 C -0.78900 -3.89500 0.47900 1.000 C35 C 0.54900 -3.95300 0.11700 1.000 C36 C 1.00600 -3.08400 -0.86200 1.000 Cl37 Cl -1.41800 -4.96200 1.69500 1.000 H38 H -0.40300 1.80500 -1.61500 1.000 H39 H -0.61800 0.28500 -0.69400 1.000 H40 H 0.27100 1.25400 1.32700 1.000 H41 H 1.37200 3.59000 -0.33500 1.000 H42 H 2.03300 2.89200 1.18000 1.000 H43 H 2.92100 2.17100 -1.35700 1.000 H44 H 4.69100 2.30900 0.39600 1.000 H45 H 5.63000 -1.47400 2.19200 1.000 H46 H 5.04400 -2.27500 0.11000 1.000 H47 H 7.53100 0.70200 2.10400 1.000 H48 H 6.85300 2.34000 1.59600 1.000 H49 H 4.98200 2.09200 3.29300 1.000 H50 H 5.66100 0.45400 3.80000 1.000 H51 H -2.66000 4.31100 1.87100 1.000 H52 H -0.05200 3.44400 -1.18800 1.000 H53 H -5.24800 0.60900 -0.35300 1.000 H54 H -2.75900 -1.10200 2.67000 1.000 H55 H -1.17500 0.76500 2.41800 1.000 H56 H -5.42900 -3.16400 2.27800 1.000 H57 H -3.69600 -2.85600 2.01400 1.000 H58 H -4.58200 -1.94500 3.26000 1.000 H59 H -1.47400 -1.04700 -3.22600 1.000 H60 H -0.62100 0.54100 -2.98500 1.000 H61 H -0.32200 -1.04700 -5.23400 1.000 H62 H 2.00100 -1.97900 -4.04900 1.000 H63 H 0.41000 -2.85700 -3.99100 1.000 H64 H -2.65800 -2.92200 0.13600 1.000 H65 H 1.21800 -4.66100 0.58300 1.000 H66 H 2.04000 -3.10500 -1.17300 1.000