TDT2MOL Cc1cc(I)sc1C 15 15 0 0 0 0 0 0.5000 1.6900 -0.1700 C 0 0 0 3 0 0 0.4200 0.1900 0.0000 C 0 0 0 0 0 0 1.5700 -0.5800 0.1500 C 0 0 0 1 0 0 1.3700 -1.9500 0.2900 C 0 0 0 0 0 0 2.7900 -3.3900 0.5300 I 0 0 0 0 0 0 -0.3500 -2.1600 0.2300 S 0 0 0 0 0 0 -0.7800 -0.5000 0.0100 C 0 0 0 0 0 0 -2.1600 0.0700 -0.1200 C 0 0 0 3 0 0 0.3700 1.9400 -1.2300 H 0 0 0 0 0 0 -0.3000 2.1500 0.4300 H 0 0 0 0 0 0 1.4800 2.0400 0.1800 H 0 0 0 0 0 0 2.5800 -0.1200 0.1500 H 0 0 0 0 0 0 -2.8400 -0.4400 0.5800 H 0 0 0 0 0 0 -2.1400 1.1400 0.1100 H 0 0 0 0 0 0 -2.5200 -0.0700 -1.1500 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 1 1 0 10 1 1 0 11 1 1 0 12 3 1 0 13 8 1 0 14 8 1 0 15 8 1 0 M END $$$$