# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90T' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -9.74000 -2.04600 -0.24500 1.000 C1 C -8.46000 -2.42500 -0.38900 1.000 O2 O -8.19100 -3.41700 -1.02500 1.000 C3 C -7.35800 -1.61300 0.24200 1.000 C4 C -7.33300 -0.17300 -0.32900 1.000 C5 C -5.96300 -2.14200 -0.18600 1.000 C6 C -5.06700 -0.89200 -0.06000 1.000 N7 N -5.94500 0.28400 -0.13700 1.000 C8 C -5.54700 1.56900 -0.04700 1.000 O9 O -6.34800 2.46700 -0.21800 1.000 C10 C -4.13500 1.88600 0.25900 1.000 C11 C -3.18200 0.86800 0.29700 1.000 C12 C -3.75100 3.20500 0.50400 1.000 C13 C -2.43300 3.49800 0.78900 1.000 C14 C -1.48900 2.48900 0.83200 1.000 C15 C -1.86000 1.17300 0.58500 1.000 N16 N -0.90100 0.15700 0.62400 1.000 C17 C 0.42500 0.45000 0.38300 1.000 S18 S 1.71200 -0.66500 0.53100 1.000 N19 N 0.87100 1.61400 0.00400 1.000 C20 C 2.16100 1.73000 -0.18400 1.000 C21 C 2.86300 0.58000 0.04900 1.000 C22 C 4.31000 0.41200 -0.07900 1.000 O23 O 5.00300 1.35200 -0.42400 1.000 N24 N 4.87600 -0.78200 0.18300 1.000 C25 C 6.26800 -0.91400 0.17300 1.000 C26 C 7.00500 -0.43300 -0.90300 1.000 Cl27 Cl 6.19900 0.33200 -2.23700 1.000 C28 C 8.38100 -0.56500 -0.91000 1.000 C29 C 9.02400 -1.17400 0.15300 1.000 C30 C 8.29300 -1.65300 1.22400 1.000 C31 C 6.91800 -1.51900 1.24000 1.000 C32 C 6.12300 -2.03600 2.41100 1.000 H33 H -10.41100 -2.59900 -0.66800 1.000 H34 H -7.45700 -1.60200 1.32700 1.000 H35 H -7.58700 -0.18100 -1.38900 1.000 H36 H -8.02400 0.46500 0.22200 1.000 H37 H -5.62600 -2.92800 0.48900 1.000 H38 H -5.98600 -2.50200 -1.21400 1.000 H39 H -4.54600 -0.90400 0.89700 1.000 H40 H -4.34500 -0.87000 -0.87700 1.000 H41 H -3.47300 -0.15400 0.10400 1.000 H42 H -4.48500 3.99700 0.47200 1.000 H43 H -2.13800 4.52000 0.97900 1.000 H44 H -0.45900 2.72500 1.05500 1.000 H45 H -1.16800 -0.75500 0.82100 1.000 H46 H 2.62900 2.65100 -0.49800 1.000 H47 H 4.31700 -1.55100 0.37900 1.000 H48 H 8.95500 -0.19200 -1.74600 1.000 H49 H 10.09900 -1.27600 0.14500 1.000 H50 H 8.79800 -2.12900 2.05200 1.000 H51 H 5.84200 -3.07300 2.23100 1.000 H52 H 6.72900 -1.97600 3.31600 1.000 H53 H 5.22500 -1.43200 2.53600 1.000