TDT2MOL CCOC(NS(=O)(=O)C)N=C(C1CCCC1)N2CCCC2COC 55 56 0 0 0 0 0 -2.5800 -1.6600 -3.5200 C 0 0 0 3 0 0 -2.5000 -0.9300 -2.2100 C 0 0 0 2 0 0 -1.2400 -0.9800 -1.7500 O 0 0 0 0 0 0 -1.1400 -0.3100 -0.5800 C 0 0 0 1 0 0 -2.0600 -0.9100 0.3800 N 0 0 0 1 0 0 -3.3000 0.0700 1.1400 S 0 0 0 0 0 0 -3.5700 1.2300 0.3100 O 0 0 0 0 0 0 -2.8400 0.5100 2.4400 O 0 0 0 0 0 0 -4.8000 -0.9100 1.3300 C 0 0 0 3 0 0 0.1900 -0.4000 -0.0800 N 0 0 0 0 0 0 0.9100 0.5400 0.3200 C 0 0 0 0 0 0 0.4600 1.9700 0.3300 C 0 0 0 1 0 0 -0.8900 2.2200 0.9600 C 0 0 0 2 0 0 -1.6500 3.1000 -0.0100 C 0 0 0 2 0 0 -0.5700 3.7100 -0.8900 C 0 0 0 2 0 0 0.3700 2.5300 -1.0800 C 0 0 0 2 0 0 2.2300 0.2100 0.7900 N 0 0 0 0 0 0 3.2000 1.1900 1.2900 C 0 0 0 2 0 0 4.3000 0.3300 1.8500 C 0 0 0 2 0 0 4.2500 -0.9200 0.9800 C 0 0 0 2 0 0 2.7700 -1.1600 0.8100 C 0 0 0 1 0 0 2.4100 -1.8900 -0.4300 C 0 0 0 2 0 0 2.9900 -3.1000 -0.4400 O 0 0 0 0 0 0 2.4700 -3.9200 0.4900 C 0 0 0 3 0 0 -1.9000 -1.2000 -4.2500 H 0 0 0 0 0 0 -3.6200 -1.6200 -3.9000 H 0 0 0 0 0 0 -2.3000 -2.7200 -3.3600 H 0 0 0 0 0 0 -2.7900 0.1200 -2.3700 H 0 0 0 0 0 0 -3.1800 -1.3900 -1.4800 H 0 0 0 0 0 0 -1.4400 0.7400 -0.7400 H 0 0 0 0 0 0 -2.0700 -1.9000 0.5000 H 0 0 0 0 0 0 -5.1500 -1.2400 0.3400 H 0 0 0 0 0 0 -4.5900 -1.7800 1.9600 H 0 0 0 0 0 0 -5.5800 -0.2900 1.8000 H 0 0 0 0 0 0 1.2700 2.5200 0.8500 H 0 0 0 0 0 0 -1.4400 1.2800 1.1700 H 0 0 0 0 0 0 -0.8100 2.7200 1.9500 H 0 0 0 0 0 0 -2.2500 3.8900 0.4600 H 0 0 0 0 0 0 -2.3300 2.5200 -0.6600 H 0 0 0 0 0 0 -0.9400 4.0900 -1.8400 H 0 0 0 0 0 0 -0.0400 4.5000 -0.3500 H 0 0 0 0 0 0 1.3200 2.8500 -1.5200 H 0 0 0 0 0 0 -0.1100 1.8100 -1.7600 H 0 0 0 0 0 0 3.5500 1.7800 0.4300 H 0 0 0 0 0 0 2.7300 1.8400 2.0300 H 0 0 0 0 0 0 5.2800 0.8100 1.8200 H 0 0 0 0 0 0 4.0700 0.0400 2.8900 H 0 0 0 0 0 0 4.7100 -0.6900 0.0100 H 0 0 0 0 0 0 4.7600 -1.7700 1.4300 H 0 0 0 0 0 0 2.3500 -1.6500 1.7000 H 0 0 0 0 0 0 2.7700 -1.3200 -1.3100 H 0 0 0 0 0 0 1.3200 -1.9900 -0.5000 H 0 0 0 0 0 0 2.7900 -3.5900 1.4900 H 0 0 0 0 0 0 1.3700 -3.9300 0.4400 H 0 0 0 0 0 0 2.8500 -4.9400 0.3200 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 2 0 6 9 1 0 4 10 1 0 10 11 2 0 11 12 1 0 12 16 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 11 17 1 0 17 21 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 25 1 1 0 26 1 1 0 27 1 1 0 28 2 1 0 29 2 1 0 30 4 1 0 31 5 1 0 32 9 1 0 33 9 1 0 34 9 1 0 35 12 1 0 36 13 1 0 37 13 1 0 38 14 1 0 39 14 1 0 40 15 1 0 41 15 1 0 42 16 1 0 43 16 1 0 44 18 1 0 45 18 1 0 46 19 1 0 47 19 1 0 48 20 1 0 49 20 1 0 50 21 1 0 51 22 1 0 52 22 1 0 53 24 1 0 54 24 1 0 55 24 1 0 M END $$$$