# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CT9' 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 -3.53100 0.60300 -7.54900 1.000 C1 C -1.77000 -2.52200 5.98400 1.000 S2 S -0.22700 -0.30100 5.95000 1.000 N3 N -1.63700 -1.09800 6.29900 1.000 C4 C -2.75000 -0.37800 6.92200 1.000 O5 O 0.77500 -1.30500 5.87800 1.000 C6 C -2.38600 -0.18200 -7.07000 1.000 C7 C -2.85800 -1.17400 -6.00500 1.000 C8 C -1.66600 -1.99200 -5.50600 1.000 C9 C -1.34100 0.75600 -6.46500 1.000 C10 C -0.14800 -0.06200 -5.96700 1.000 C11 C -0.62000 -1.05300 -4.90100 1.000 N12 N -1.21300 -0.32100 -3.78000 1.000 C13 C -0.41800 0.08300 -2.72000 1.000 C14 C -0.98800 0.78500 -1.64600 1.000 N15 N 0.87400 -0.19200 -2.72200 1.000 C16 C 1.66300 0.19300 -1.70900 1.000 C17 C 3.01900 0.03100 -1.46300 1.000 C18 C 4.00900 -0.66400 -2.36000 1.000 C19 C 5.10100 0.32100 -2.77700 1.000 C20 C 4.64100 -1.83800 -1.60900 1.000 C21 C 3.30000 0.63200 -0.24200 1.000 N22 N 1.14300 0.87500 -0.64000 1.000 N23 N 2.19200 1.13400 0.24900 1.000 C24 C -0.19400 1.17800 -0.60800 1.000 N25 N -0.73000 1.87000 0.45900 1.000 C26 C -0.61100 1.35800 1.75400 1.000 C27 C -1.01600 2.11800 2.84300 1.000 C28 C -0.89800 1.60900 4.12100 1.000 C29 C -0.09300 0.08400 1.95400 1.000 C30 C 0.02800 -0.41500 3.23600 1.000 C31 C -0.37700 0.34400 4.31800 1.000 O32 O -0.20000 0.82800 6.81100 1.000 H33 H -3.17500 1.24000 -8.24600 1.000 H34 H -4.14300 -0.03800 -8.03000 1.000 H35 H -2.75900 -2.86900 6.28300 1.000 H36 H -1.64100 -2.67100 4.91200 1.000 H37 H -1.00900 -3.08600 6.52300 1.000 H38 H -2.46700 0.66200 7.07900 1.000 H39 H -3.62200 -0.42300 6.26900 1.000 H40 H -2.99000 -0.83800 7.88000 1.000 H41 H -1.94600 -0.72700 -7.90500 1.000 H42 H -3.60300 -1.84300 -6.43600 1.000 H43 H -3.29900 -0.62800 -5.17100 1.000 H44 H -1.22500 -2.53800 -6.34100 1.000 H45 H -2.00200 -2.69900 -4.74800 1.000 H46 H -1.00500 1.46300 -7.22400 1.000 H47 H -1.78200 1.30100 -5.63100 1.000 H48 H 0.59600 0.60600 -5.53600 1.000 H49 H 0.29200 -0.60700 -6.80100 1.000 H50 H 0.22900 -1.63700 -4.54600 1.000 H51 H -2.16100 -0.11800 -3.78000 1.000 H52 H -2.04400 1.01200 -1.64100 1.000 H53 H 3.49600 -1.03500 -3.24800 1.000 H54 H 5.81800 -0.18100 -3.42600 1.000 H55 H 4.65100 1.15700 -3.31200 1.000 H56 H 5.61400 0.69200 -1.89000 1.000 H57 H 5.15400 -1.46700 -0.72100 1.000 H58 H 3.86300 -2.54100 -1.31200 1.000 H59 H 5.35700 -2.34100 -2.25800 1.000 H60 H 4.27200 0.67800 0.22500 1.000 H61 H -1.18800 2.71200 0.31000 1.000 H62 H -1.42400 3.10700 2.69100 1.000 H63 H -1.21300 2.20000 4.96900 1.000 H64 H 0.22200 -0.50900 1.11000 1.000 H65 H 0.43500 -1.40300 3.39300 1.000