TDT2MOL CCSc1c2C(=O)N(C(=O)c2c(c3ccccc3)c4sccc14)c5ccccc5 46 50 0 0 0 0 0 0.2100 4.5500 0.3100 C 0 0 0 3 0 0 0.6200 4.6800 -1.1300 C 0 0 0 2 0 0 -0.0500 3.3000 -2.0700 S 0 0 0 0 0 0 0.6000 1.7500 -1.4200 C 0 0 0 0 0 0 -0.2000 0.8400 -0.7900 C 0 0 0 0 0 0 -1.6900 0.9000 -0.5000 C 0 0 0 0 0 0 -2.4600 1.8000 -0.7800 O 0 0 0 0 0 0 -2.0500 -0.3500 0.2100 N 0 0 0 0 0 0 -0.8200 -1.1700 0.3600 C 0 0 0 0 0 0 -0.7700 -2.2600 0.9000 O 0 0 0 0 0 0 0.3200 -0.4000 -0.2700 C 0 0 0 0 0 0 1.6500 -0.7000 -0.4000 C 0 0 0 0 0 0 2.2300 -1.9300 0.0900 C 0 0 0 0 0 0 3.2500 -2.5600 -0.6400 C 0 0 0 1 0 0 3.8200 -3.7400 -0.1700 C 0 0 0 1 0 0 3.3800 -4.3000 1.0400 C 0 0 0 1 0 0 2.3600 -3.6700 1.7700 C 0 0 0 1 0 0 1.7900 -2.4900 1.2900 C 0 0 0 1 0 0 2.4400 0.2400 -1.0500 C 0 0 0 0 0 0 4.1200 0.2400 -1.4100 S 0 0 0 0 0 0 4.2000 1.7700 -2.2100 C 0 0 0 1 0 0 2.8900 2.2600 -2.1700 C 0 0 0 1 0 0 1.9700 1.4400 -1.5600 C 0 0 0 0 0 0 -3.3000 -0.6800 0.6500 C 0 0 0 0 0 0 -4.3300 -0.9700 -0.2700 C 0 0 0 1 0 0 -5.6100 -1.3100 0.1800 C 0 0 0 1 0 0 -5.8800 -1.3600 1.5500 C 0 0 0 1 0 0 -4.8700 -1.0800 2.4700 C 0 0 0 1 0 0 -3.5900 -0.7400 2.0300 C 0 0 0 1 0 0 0.6200 5.3900 0.8900 H 0 0 0 0 0 0 0.6000 3.6100 0.7200 H 0 0 0 0 0 0 -0.8900 4.5600 0.3800 H 0 0 0 0 0 0 1.7100 4.6800 -1.2000 H 0 0 0 0 0 0 0.2200 5.6200 -1.5400 H 0 0 0 0 0 0 3.6000 -2.1200 -1.5900 H 0 0 0 0 0 0 4.6200 -4.2300 -0.7400 H 0 0 0 0 0 0 3.8300 -5.2300 1.4100 H 0 0 0 0 0 0 2.0100 -4.1100 2.7100 H 0 0 0 0 0 0 0.9900 -1.9900 1.8700 H 0 0 0 0 0 0 5.0800 2.2600 -2.6400 H 0 0 0 0 0 0 2.6100 3.2400 -2.6100 H 0 0 0 0 0 0 -4.1100 -0.9200 -1.3500 H 0 0 0 0 0 0 -6.4000 -1.5300 -0.5500 H 0 0 0 0 0 0 -6.8900 -1.6300 1.9000 H 0 0 0 0 0 0 -5.0800 -1.1200 3.5500 H 0 0 0 0 0 0 -2.7900 -0.5200 2.7600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 23 1 0 4 5 2 0 5 11 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 12 19 1 0 19 23 2 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 8 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 30 1 1 0 31 1 1 0 32 1 1 0 33 2 1 0 34 2 1 0 35 14 1 0 36 15 1 0 37 16 1 0 38 17 1 0 39 18 1 0 40 21 1 0 41 22 1 0 42 25 1 0 43 26 1 0 44 27 1 0 45 28 1 0 46 29 1 0 M END $$$$