TDT2MOL CCSCC1C(C=O)N(c2ccccc12)S(=O)(=O)c3ccccc3 43 45 0 0 0 0 0 -5.5500 -2.0600 0.3600 C 0 0 0 3 0 0 -4.6200 -1.0300 -0.2100 C 0 0 0 2 0 0 -3.9600 -0.0200 1.1300 S 0 0 0 0 0 0 -2.8700 1.2500 0.4500 C 0 0 0 2 0 0 -1.7500 0.6000 -0.2900 C 0 0 0 1 0 0 -0.8100 -0.1900 0.5700 C 0 0 0 1 0 0 -0.8000 -1.6700 0.3200 C 0 0 0 1 0 0 -0.8600 -2.1100 -0.8400 O 0 0 0 0 0 0 0.5800 0.2900 0.2500 N 0 0 0 0 0 0 0.4900 1.4600 -0.5400 C 0 0 0 0 0 0 1.4900 2.3100 -0.9700 C 0 0 0 1 0 0 1.1200 3.4200 -1.7500 C 0 0 0 1 0 0 -0.2200 3.6400 -2.0900 C 0 0 0 1 0 0 -1.2400 2.7700 -1.6600 C 0 0 0 1 0 0 -0.8700 1.6900 -0.8900 C 0 0 0 0 0 0 1.7700 0.2000 1.5300 S 0 0 0 0 0 0 1.1800 -0.4500 2.6900 O 0 0 0 0 0 0 2.2000 1.5300 1.9000 O 0 0 0 0 0 0 3.1800 -0.7600 0.9600 C 0 0 0 0 0 0 3.3200 -2.1000 1.3500 C 0 0 0 1 0 0 4.4200 -2.8500 0.9100 C 0 0 0 1 0 0 5.3800 -2.2500 0.0800 C 0 0 0 1 0 0 5.2400 -0.9100 -0.3000 C 0 0 0 1 0 0 4.1400 -0.1700 0.1400 C 0 0 0 1 0 0 -5.0000 -2.7000 1.0600 H 0 0 0 0 0 0 -6.3700 -1.5600 0.8800 H 0 0 0 0 0 0 -5.9500 -2.6800 -0.4600 H 0 0 0 0 0 0 -5.1700 -0.3900 -0.9200 H 0 0 0 0 0 0 -3.7900 -1.5300 -0.7400 H 0 0 0 0 0 0 -3.4500 1.9000 -0.2200 H 0 0 0 0 0 0 -2.4700 1.8500 1.2800 H 0 0 0 0 0 0 -2.1500 0.0300 -1.1400 H 0 0 0 0 0 0 -0.9200 -0.0100 1.6500 H 0 0 0 0 0 0 -0.7400 -2.3700 1.1700 H 0 0 0 0 0 0 2.5400 2.1500 -0.7100 H 0 0 0 0 0 0 1.9000 4.1100 -2.1000 H 0 0 0 0 0 0 -0.4900 4.5100 -2.7100 H 0 0 0 0 0 0 -2.2800 2.9600 -1.9400 H 0 0 0 0 0 0 2.5600 -2.5600 2.0000 H 0 0 0 0 0 0 4.5300 -3.9000 1.2100 H 0 0 0 0 0 0 6.2400 -2.8400 -0.2600 H 0 0 0 0 0 0 6.0000 -0.4500 -0.9600 H 0 0 0 0 0 0 4.0300 0.8800 -0.1700 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 15 1 0 5 6 1 0 6 7 1 0 7 8 2 0 6 9 1 0 9 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 9 16 1 0 16 17 2 0 16 18 2 0 16 19 1 0 19 24 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 25 1 1 0 26 1 1 0 27 1 1 0 28 2 1 0 29 2 1 0 30 4 1 0 31 4 1 0 32 5 1 0 33 6 1 0 34 7 1 0 35 11 1 0 36 12 1 0 37 13 1 0 38 14 1 0 39 20 1 0 40 21 1 0 41 22 1 0 42 23 1 0 43 24 1 0 M END $$$$