TDT2MOL CC1CC(OC*)OC(=C1)CS(=O)c2ccccc2ccc2 36 37 0 0 0 0 0 -3.3100 -1.2900 1.1300 C 0 0 0 3 0 0 -2.0700 -1.4400 0.3000 C 0 0 0 1 0 0 -2.2900 -0.9900 -1.1100 C 0 0 0 2 0 0 -2.4500 0.5100 -1.1800 C 0 0 0 1 0 0 -3.5300 0.8900 -0.4600 O 0 0 0 0 0 0 -3.6800 2.2300 -0.5300 C 0 0 0 2 0 0 -2.5400 2.8500 -0.0100 R 0 0 0 0 0 0 -1.3500 1.1200 -0.7200 O 0 0 0 0 0 0 -0.7300 0.6100 0.3400 C 0 0 0 0 0 0 -0.9800 -0.5900 0.9100 C 0 0 0 1 0 0 0.3800 1.4400 0.9700 C 0 0 0 2 0 0 1.6600 0.3300 1.5600 S 0 0 0 0 0 0 1.5900 -0.2100 2.9000 O 0 0 0 0 0 0 3.0400 -0.1000 0.4900 C 0 0 0 0 0 0 4.0500 -0.9600 0.9600 C 0 0 0 1 0 0 5.1200 -1.3000 0.1300 C 0 0 0 1 0 0 5.1900 -0.7800 -1.1700 C 0 0 0 1 0 0 4.1900 0.0700 -1.6400 C 0 0 0 1 0 0 3.1200 0.4100 -0.8100 C 0 0 0 1 0 0 -4.1200 -1.8800 0.6700 H 0 0 0 0 0 0 -3.6200 -0.2400 1.1800 H 0 0 0 0 0 0 -3.1400 -1.6500 2.1500 H 0 0 0 0 0 0 -1.7500 -2.4900 0.3300 H 0 0 0 0 0 0 -1.4300 -1.2700 -1.7400 H 0 0 0 0 0 0 -3.1900 -1.4700 -1.5300 H 0 0 0 0 0 0 -2.6100 0.8100 -2.2300 H 0 0 0 0 0 0 -4.5600 2.5300 0.0600 H 0 0 0 0 0 0 -3.8200 2.5300 -1.5800 H 0 0 0 0 0 0 -0.4100 -0.9400 1.7800 H 0 0 0 0 0 0 0.7800 2.1200 0.2000 H 0 0 0 0 0 0 -0.0500 2.0100 1.8000 H 0 0 0 0 0 0 3.9900 -1.3700 1.9800 H 0 0 0 0 0 0 5.9100 -1.9700 0.5000 H 0 0 0 0 0 0 6.0400 -1.0500 -1.8200 H 0 0 0 0 0 0 4.2500 0.4800 -2.6600 H 0 0 0 0 0 0 2.3300 1.0900 -1.1800 H 0 0 0 0 0 0 1 2 1 0 2 10 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 19 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 20 1 1 0 21 1 1 0 22 1 1 0 23 2 1 0 24 3 1 0 25 3 1 0 26 4 1 0 27 6 1 0 28 6 1 0 29 10 1 0 30 11 1 0 31 11 1 0 32 15 1 0 33 16 1 0 34 17 1 0 35 18 1 0 36 19 1 0 M END $$$$