TDT2MOL Clc1cc(I)sc1I 9 9 0 0 0 0 0 -1.2200 2.2400 0.6000 Cl 0 0 0 0 0 0 -0.3000 0.8500 0.1700 C 0 0 0 0 0 0 -0.8300 -0.4300 0.2600 C 0 0 0 1 0 0 0.0200 -1.4700 -0.1200 C 0 0 0 0 0 0 -0.4100 -3.4700 -0.1100 I 0 0 0 0 0 0 1.4900 -0.7000 -0.5800 S 0 0 0 0 0 0 1.0100 0.9400 -0.2900 C 0 0 0 0 0 0 2.1200 2.6300 -0.5500 I 0 0 0 0 0 0 -1.8700 -0.6000 0.6200 H 0 0 0 0 0 0 1 2 1 0 2 7 2 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 9 3 1 0 M END $$$$