TDT2MOL Cc1cc(I)sc1C(O)c2ccccc2 26 27 0 0 0 0 0 -2.5200 -0.5400 1.2700 C 0 0 0 3 0 0 -2.1800 -0.3400 -0.1900 C 0 0 0 0 0 0 -2.8800 -0.9800 -1.1900 C 0 0 0 1 0 0 -2.4800 -0.7100 -2.5000 C 0 0 0 0 0 0 -3.2700 -1.4700 -4.2200 I 0 0 0 0 0 0 -1.1600 0.3900 -2.3300 S 0 0 0 0 0 0 -1.1500 0.5000 -0.6100 C 0 0 0 0 0 0 -0.2400 1.3100 0.2600 C 0 0 0 1 0 0 -0.1000 2.5500 -0.2300 O 0 0 0 1 0 0 1.1000 0.6400 0.3800 C 0 0 0 0 0 0 2.1400 0.9500 -0.5100 C 0 0 0 1 0 0 3.3800 0.3100 -0.3800 C 0 0 0 1 0 0 3.5800 -0.6400 0.6200 C 0 0 0 1 0 0 2.5400 -0.9600 1.5000 C 0 0 0 1 0 0 1.3000 -0.3200 1.3800 C 0 0 0 1 0 0 -2.4900 0.4300 1.7700 H 0 0 0 0 0 0 -3.5200 -0.9800 1.3500 H 0 0 0 0 0 0 -1.7800 -1.2200 1.7200 H 0 0 0 0 0 0 -3.7300 -1.6700 -0.9600 H 0 0 0 0 0 0 -0.6800 1.3700 1.2700 H 0 0 0 0 0 0 0.1900 2.5300 -1.1300 H 0 0 0 0 0 0 1.9900 1.7000 -1.3000 H 0 0 0 0 0 0 4.2000 0.5600 -1.0800 H 0 0 0 0 0 0 4.5600 -1.1400 0.7200 H 0 0 0 0 0 0 2.7000 -1.7100 2.2900 H 0 0 0 0 0 0 0.4800 -0.5700 2.0700 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 8 9 1 0 8 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 16 1 1 0 17 1 1 0 18 1 1 0 19 3 1 0 20 8 1 0 21 9 1 0 22 11 1 0 23 12 1 0 24 13 1 0 25 14 1 0 26 15 1 0 M END $$$$