TDT2MOL CCOC(=NS(=O)(=O)C)NCC(CC=C)N1C(COC)CCC1COC 59 59 0 0 0 0 0 -5.8100 -2.0300 0.0400 C 0 0 0 3 0 0 -4.4100 -1.4900 0.0800 C 0 0 0 2 0 0 -4.2100 -0.6800 -0.9800 O 0 0 0 0 0 0 -2.9500 -0.1800 -0.9300 C 0 0 0 0 0 0 -2.7900 1.0400 -0.7200 N 0 0 0 0 0 0 -4.1700 2.0800 -0.4800 S 0 0 0 0 0 0 -5.2200 1.7400 -1.4200 O 0 0 0 0 0 0 -3.7700 3.4600 -0.6900 O 0 0 0 0 0 0 -4.8000 1.8900 1.2000 C 0 0 0 3 0 0 -1.8300 -1.0700 -1.1400 N 0 0 0 1 0 0 -0.4400 -0.6300 -1.1100 C 0 0 0 2 0 0 0.1000 -0.6400 0.2900 C 0 0 0 1 0 0 -0.5800 0.3800 1.1400 C 0 0 0 2 0 0 -0.1500 1.7900 0.8600 C 0 0 0 1 0 0 -0.5000 2.5100 -0.2200 C 0 0 0 2 0 0 1.5200 -0.4300 0.2900 N 0 0 0 0 0 0 1.9900 0.8000 -0.3200 C 0 0 0 1 0 0 2.9400 1.4600 0.6500 C 0 0 0 2 0 0 3.4500 2.5900 0.0800 O 0 0 0 0 0 0 4.2700 3.2000 0.9600 C 0 0 0 3 0 0 2.7600 0.3500 -1.5400 C 0 0 0 2 0 0 3.4200 -0.9300 -1.0300 C 0 0 0 2 0 0 2.3100 -1.5600 -0.2100 C 0 0 0 1 0 0 2.8100 -2.3700 0.9400 C 0 0 0 2 0 0 3.3800 -3.5300 0.5700 O 0 0 0 0 0 0 4.1600 -3.4600 -0.5100 C 0 0 0 3 0 0 -5.9700 -2.6900 0.9100 H 0 0 0 0 0 0 -6.5300 -1.1900 0.0800 H 0 0 0 0 0 0 -5.9600 -2.6000 -0.8900 H 0 0 0 0 0 0 -4.2600 -0.9300 1.0100 H 0 0 0 0 0 0 -3.7000 -2.3300 0.0400 H 0 0 0 0 0 0 -5.6600 2.5600 1.3500 H 0 0 0 0 0 0 -4.0000 2.1500 1.9200 H 0 0 0 0 0 0 -5.1100 0.8500 1.3600 H 0 0 0 0 0 0 -2.0200 -2.0400 -1.3100 H 0 0 0 0 0 0 0.1300 -1.3500 -1.7300 H 0 0 0 0 0 0 -0.3500 0.3700 -1.5500 H 0 0 0 0 0 0 -0.0900 -1.6500 0.7100 H 0 0 0 0 0 0 -0.3500 0.2100 2.2200 H 0 0 0 0 0 0 -1.6800 0.3100 1.0300 H 0 0 0 0 0 0 0.5000 2.2800 1.6100 H 0 0 0 0 0 0 -1.1400 2.1100 -1.0100 H 0 0 0 0 0 0 -0.1200 3.5400 -0.3200 H 0 0 0 0 0 0 1.2000 1.5000 -0.5800 H 0 0 0 0 0 0 2.4100 1.7200 1.5700 H 0 0 0 0 0 0 3.7800 0.7900 0.9000 H 0 0 0 0 0 0 3.7100 3.4900 1.8600 H 0 0 0 0 0 0 4.6900 4.1100 0.4900 H 0 0 0 0 0 0 5.0900 2.5200 1.2300 H 0 0 0 0 0 0 3.4700 1.0800 -1.9100 H 0 0 0 0 0 0 2.0500 0.0800 -2.3400 H 0 0 0 0 0 0 4.2700 -0.6400 -0.3900 H 0 0 0 0 0 0 3.7900 -1.5300 -1.8600 H 0 0 0 0 0 0 1.7100 -2.2100 -0.8700 H 0 0 0 0 0 0 1.9800 -2.6100 1.6200 H 0 0 0 0 0 0 3.5500 -1.7700 1.5100 H 0 0 0 0 0 0 3.5400 -3.4600 -1.4200 H 0 0 0 0 0 0 4.8100 -4.3600 -0.5400 H 0 0 0 0 0 0 4.8000 -2.5700 -0.4900 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 4 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 12 16 1 0 16 23 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 17 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 27 1 1 0 28 1 1 0 29 1 1 0 30 2 1 0 31 2 1 0 32 9 1 0 33 9 1 0 34 9 1 0 35 10 1 0 36 11 1 0 37 11 1 0 38 12 1 0 39 13 1 0 40 13 1 0 41 14 1 0 42 15 1 0 43 15 1 0 44 17 1 0 45 18 1 0 46 18 1 0 47 20 1 0 48 20 1 0 49 20 1 0 50 21 1 0 51 21 1 0 52 22 1 0 53 22 1 0 54 23 1 0 55 24 1 0 56 24 1 0 57 26 1 0 58 26 1 0 59 26 1 0 M END $$$$