TDT2MOL CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O 41 43 0 0 0 0 0 3.8200 -1.9000 -0.6600 C 0 0 0 3 0 0 2.7900 -0.9000 -0.2700 C 0 0 0 0 0 0 2.2100 -0.2500 -1.4800 C 0 0 0 3 0 0 1.4000 -1.8100 0.5600 S 0 0 0 0 0 0 1.1400 -0.7700 1.9700 C 0 0 0 1 0 0 -0.0400 0.1900 1.9400 C 0 0 0 1 0 0 -0.9100 0.0700 0.8400 N 0 0 0 1 0 0 -0.7800 0.9100 -0.3500 C 0 0 0 0 0 0 0.1300 1.7600 -0.4100 O 0 0 0 0 0 0 -1.7400 0.7300 -1.4800 C 0 0 0 2 0 0 -3.0600 0.2400 -0.9600 C 0 0 0 0 0 0 -3.7400 -0.7900 -1.6200 C 0 0 0 1 0 0 -4.9700 -1.2400 -1.1300 C 0 0 0 1 0 0 -5.5200 -0.6600 0.0300 C 0 0 0 1 0 0 -4.8400 0.3700 0.6900 C 0 0 0 1 0 0 -3.6100 0.8200 0.1900 C 0 0 0 1 0 0 1.0500 1.3800 1.5800 C 0 0 0 0 0 0 0.4800 2.4000 1.4400 O 0 0 0 0 0 0 2.1100 0.4200 1.6000 N 0 0 0 0 0 0 3.2200 0.0800 0.7700 C 0 0 0 1 0 0 3.8200 1.3300 0.1900 C 0 0 0 0 0 0 4.3800 1.2800 -0.9300 O 0 0 0 0 0 0 3.7700 2.4900 0.8700 O 0 0 0 1 0 0 4.2100 -2.4100 0.2400 H 0 0 0 0 0 0 4.6500 -1.4000 -1.1800 H 0 0 0 0 0 0 3.3800 -2.6500 -1.3300 H 0 0 0 0 0 0 1.4200 0.4600 -1.1900 H 0 0 0 0 0 0 1.7900 -1.0100 -2.1600 H 0 0 0 0 0 0 3.0000 0.3000 -2.0100 H 0 0 0 0 0 0 1.4600 -1.0900 2.9300 H 0 0 0 0 0 0 -0.4100 0.4800 2.8900 H 0 0 0 0 0 0 -1.6500 -0.6000 0.8400 H 0 0 0 0 0 0 -1.8800 1.6900 -2.0000 H 0 0 0 0 0 0 -1.3400 -0.0100 -2.1900 H 0 0 0 0 0 0 -3.3100 -1.2400 -2.5200 H 0 0 0 0 0 0 -5.5000 -2.0500 -1.6400 H 0 0 0 0 0 0 -6.4800 -1.0200 0.4100 H 0 0 0 0 0 0 -5.2700 0.8200 1.5900 H 0 0 0 0 0 0 -3.0700 1.6300 0.7100 H 0 0 0 0 0 0 3.9900 -0.3600 1.4400 H 0 0 0 0 0 0 3.9100 2.3200 1.7900 H 0 0 0 0 0 0 1 2 1 0 2 20 1 0 2 3 1 0 2 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 3 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 $$$$