TDT2MOL Cc1csc(I)c1 12 12 0 0 0 0 0 1.5900 0.7900 0.0700 C 0 0 0 3 0 0 0.3400 -0.0600 -0.0500 C 0 0 0 0 0 0 0.3700 -1.4000 -0.4200 C 0 0 0 1 0 0 -1.2800 -1.8900 -0.4100 S 0 0 0 0 0 0 -2.0000 -0.3900 0.0800 C 0 0 0 0 0 0 -3.9700 0.0200 0.3800 I 0 0 0 0 0 0 -0.9100 0.4700 0.2200 C 0 0 0 1 0 0 1.4200 1.5800 0.8100 H 0 0 0 0 0 0 2.4100 0.1300 0.3900 H 0 0 0 0 0 0 1.8200 1.2200 -0.9100 H 0 0 0 0 0 0 1.2500 -2.0000 -0.6800 H 0 0 0 0 0 0 -1.0400 1.5400 0.5200 H 0 0 0 0 0 0 1 2 1 0 2 7 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 2 0 8 1 1 0 9 1 1 0 10 1 1 0 11 3 1 0 12 7 1 0 M END $$$$