TDT2MOL CC1CSC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O 41 43 0 0 0 0 0 4.8000 -0.9900 1.1800 C 0 0 0 3 0 0 3.4000 -0.8100 0.6700 C 0 0 0 1 0 0 2.9100 -2.1400 0.1200 C 0 0 0 2 0 0 1.2600 -1.8800 -0.6100 S 0 0 0 0 0 0 1.2100 -0.4400 -1.6000 C 0 0 0 1 0 0 -0.0200 0.5000 -1.4900 C 0 0 0 1 0 0 -1.0300 0.0300 -0.6300 N 0 0 0 1 0 0 -1.2900 0.6600 0.6600 C 0 0 0 0 0 0 -0.6000 1.6400 1.0200 O 0 0 0 0 0 0 -2.3800 0.1300 1.5400 C 0 0 0 2 0 0 -3.6500 0.0400 0.7500 C 0 0 0 0 0 0 -4.7800 -0.5800 1.3100 C 0 0 0 1 0 0 -5.9700 -0.6700 0.5700 C 0 0 0 1 0 0 -6.0200 -0.1400 -0.7300 C 0 0 0 1 0 0 -4.9000 0.4800 -1.2800 C 0 0 0 1 0 0 -3.7100 0.5700 -0.5400 C 0 0 0 1 0 0 0.9200 1.5300 -0.7100 C 0 0 0 0 0 0 0.5800 2.5800 -0.2800 O 0 0 0 0 0 0 2.0600 0.6400 -0.8000 N 0 0 0 0 0 0 3.3400 0.2800 -0.3800 C 0 0 0 1 0 0 4.0200 1.5200 0.1800 C 0 0 0 0 0 0 4.1200 1.6600 1.4200 O 0 0 0 0 0 0 4.5000 2.4500 -0.6600 O 0 0 0 1 0 0 5.1600 -0.0300 1.5800 H 0 0 0 0 0 0 4.8100 -1.7500 1.9700 H 0 0 0 0 0 0 5.4500 -1.3100 0.3500 H 0 0 0 0 0 0 2.7400 -0.5000 1.5000 H 0 0 0 0 0 0 3.5800 -2.4800 -0.6800 H 0 0 0 0 0 0 2.8500 -2.8800 0.9200 H 0 0 0 0 0 0 1.6700 -0.4500 -2.5700 H 0 0 0 0 0 0 -0.3000 0.9600 -2.4100 H 0 0 0 0 0 0 -1.6100 -0.7500 -0.8700 H 0 0 0 0 0 0 -2.5300 0.8100 2.4000 H 0 0 0 0 0 0 -2.1000 -0.8600 1.9200 H 0 0 0 0 0 0 -4.7400 -0.9900 2.3300 H 0 0 0 0 0 0 -6.8500 -1.1500 1.0100 H 0 0 0 0 0 0 -6.9600 -0.2100 -1.3100 H 0 0 0 0 0 0 -4.9400 0.8900 -2.3000 H 0 0 0 0 0 0 -2.8200 1.0500 -0.9800 H 0 0 0 0 0 0 3.9600 -0.0600 -1.2300 H 0 0 0 0 0 0 3.8500 2.6400 -1.3300 H 0 0 0 0 0 0 1 2 1 0 2 20 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 19 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 2 1 0 28 3 1 0 29 3 1 0 30 5 1 0 31 6 1 0 32 7 1 0 33 10 1 0 34 10 1 0 35 12 1 0 36 13 1 0 37 14 1 0 38 15 1 0 39 16 1 0 40 20 1 0 41 23 1 0 M END $$$$