TDT2MOL CCSC1(OC2(C3C1C(=O)N(C3=O)c4ccccc4)c5ccccc5)c6ccsc62 49 54 0 0 0 0 0 2.2900 -4.2000 -1.2100 C 0 0 0 3 0 0 1.4400 -4.2600 0.0300 C 0 0 0 2 0 0 1.8900 -2.9200 1.1300 S 0 0 0 0 0 0 1.2300 -1.3700 0.7600 C 0 0 0 0 0 0 2.2200 -0.3500 0.8500 O 0 0 0 0 0 0 1.4700 0.7900 0.4800 C 0 0 0 0 0 0 0.3700 0.7400 1.5000 C 0 0 0 1 0 0 0.1800 -0.7900 1.6900 C 0 0 0 1 0 0 -1.2400 -1.0900 1.2800 C 0 0 0 0 0 0 -1.7600 -2.2000 1.2900 O 0 0 0 0 0 0 -1.9200 0.1500 0.8600 N 0 0 0 0 0 0 -0.9600 1.2500 0.9900 C 0 0 0 0 0 0 -1.2100 2.4200 0.7200 O 0 0 0 0 0 0 -3.2200 0.2600 0.4200 C 0 0 0 0 0 0 -4.2800 0.1900 1.3300 C 0 0 0 1 0 0 -5.6100 0.3100 0.8800 C 0 0 0 1 0 0 -5.8700 0.4800 -0.4800 C 0 0 0 1 0 0 -4.8100 0.5500 -1.4000 C 0 0 0 1 0 0 -3.4900 0.4300 -0.9500 C 0 0 0 1 0 0 2.3000 1.9900 0.4300 C 0 0 0 0 0 0 3.6500 1.9200 0.0600 C 0 0 0 1 0 0 4.4400 3.0700 0.0100 C 0 0 0 1 0 0 3.8900 4.3100 0.3400 C 0 0 0 1 0 0 2.5400 4.4000 0.7200 C 0 0 0 1 0 0 1.7500 3.2400 0.7600 C 0 0 0 1 0 0 0.7800 -1.1300 -0.6900 C 0 0 0 0 0 0 0.3200 -1.8100 -1.7600 C 0 0 0 1 0 0 0.0600 -1.0400 -2.9000 C 0 0 0 1 0 0 0.4700 0.5800 -2.4500 S 0 0 0 0 0 0 0.9500 0.3200 -0.8700 C 0 0 0 0 0 0 2.1200 -3.2400 -1.7200 H 0 0 0 0 0 0 3.3500 -4.2900 -0.9300 H 0 0 0 0 0 0 2.0200 -5.0300 -1.8800 H 0 0 0 0 0 0 0.3800 -4.2000 -0.2400 H 0 0 0 0 0 0 1.6200 -5.2200 0.5400 H 0 0 0 0 0 0 0.6500 1.2500 2.4100 H 0 0 0 0 0 0 0.3500 -1.1100 2.7100 H 0 0 0 0 0 0 -4.0800 0.0600 2.4000 H 0 0 0 0 0 0 -6.4300 0.2600 1.6000 H 0 0 0 0 0 0 -6.9100 0.5700 -0.8300 H 0 0 0 0 0 0 -5.0200 0.6900 -2.4700 H 0 0 0 0 0 0 -2.6600 0.4800 -1.6700 H 0 0 0 0 0 0 4.0900 0.9400 -0.2000 H 0 0 0 0 0 0 5.4900 3.0000 -0.2800 H 0 0 0 0 0 0 4.5100 5.2200 0.3100 H 0 0 0 0 0 0 2.1000 5.3700 0.9800 H 0 0 0 0 0 0 0.7000 3.3100 1.0600 H 0 0 0 0 0 0 0.1500 -2.9100 -1.7600 H 0 0 0 0 0 0 -0.3100 -1.4000 -3.8600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 8 1 0 4 5 1 0 5 6 1 0 6 30 1 0 6 7 1 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 11 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 6 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 4 26 1 0 26 30 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 1 0 31 1 1 0 32 1 1 0 33 1 1 0 34 2 1 0 35 2 1 0 36 7 1 0 37 8 1 0 38 15 1 0 39 16 1 0 40 17 1 0 41 18 1 0 42 19 1 0 43 21 1 0 44 22 1 0 45 23 1 0 46 24 1 0 47 25 1 0 48 27 1 0 49 28 1 0 M END $$$$