TDT2MOL CCOC(NS(=O)(=O)C)N=C(C1CCCC1)N2CCCC2 48 49 0 0 0 0 0 -2.5800 -2.5400 -1.2000 C 0 0 0 3 0 0 -2.1800 -1.5100 -2.2200 C 0 0 0 2 0 0 -1.1100 -0.8300 -1.7900 O 0 0 0 0 0 0 -1.3900 0.1700 -0.9400 C 0 0 0 1 0 0 -1.9500 -0.3600 0.3000 N 0 0 0 1 0 0 -3.6900 -0.3800 0.4800 S 0 0 0 0 0 0 -4.0800 -1.5100 1.2900 O 0 0 0 0 0 0 -4.3000 -0.4900 -0.8300 O 0 0 0 0 0 0 -4.2400 1.1500 1.2600 C 0 0 0 3 0 0 -0.2400 0.9600 -0.6700 N 0 0 0 0 0 0 0.9000 0.6800 -0.3000 C 0 0 0 0 0 0 1.4500 -0.6600 -0.0100 C 0 0 0 1 0 0 1.6100 -0.9400 1.4800 C 0 0 0 2 0 0 1.8500 -2.4400 1.5200 C 0 0 0 2 0 0 1.1800 -3.0000 0.2800 C 0 0 0 2 0 0 0.5700 -1.8200 -0.4500 C 0 0 0 2 0 0 1.8100 1.8000 -0.1400 N 0 0 0 0 0 0 1.4300 3.1900 -0.3900 C 0 0 0 2 0 0 2.5900 3.9600 0.2200 C 0 0 0 2 0 0 3.7800 3.0200 0.0100 C 0 0 0 2 0 0 3.2000 1.6500 0.2800 C 0 0 0 2 0 0 -3.4400 -3.1100 -1.5700 H 0 0 0 0 0 0 -1.7400 -3.2200 -1.0200 H 0 0 0 0 0 0 -2.8600 -2.0400 -0.2600 H 0 0 0 0 0 0 -1.9200 -2.0300 -3.1600 H 0 0 0 0 0 0 -3.0300 -0.8400 -2.4200 H 0 0 0 0 0 0 -2.1700 0.8100 -1.4000 H 0 0 0 0 0 0 -1.3800 -0.3300 1.1300 H 0 0 0 0 0 0 -3.7700 1.2300 2.2600 H 0 0 0 0 0 0 -5.3300 1.1300 1.3700 H 0 0 0 0 0 0 -3.9400 2.0000 0.6400 H 0 0 0 0 0 0 2.4400 -0.7700 -0.4900 H 0 0 0 0 0 0 2.4000 -0.3300 1.9000 H 0 0 0 0 0 0 0.6500 -0.6700 1.9700 H 0 0 0 0 0 0 1.4600 -2.8700 2.4600 H 0 0 0 0 0 0 2.9400 -2.6400 1.5400 H 0 0 0 0 0 0 0.4100 -3.7600 0.5100 H 0 0 0 0 0 0 1.9000 -3.5200 -0.3900 H 0 0 0 0 0 0 0.5500 -1.9100 -1.5300 H 0 0 0 0 0 0 -0.4500 -1.6100 -0.0800 H 0 0 0 0 0 0 1.3900 3.3400 -1.4700 H 0 0 0 0 0 0 0.4700 3.4100 0.0700 H 0 0 0 0 0 0 2.7500 4.9300 -0.2400 H 0 0 0 0 0 0 2.4300 4.0900 1.3000 H 0 0 0 0 0 0 4.6200 3.2700 0.6600 H 0 0 0 0 0 0 4.1000 3.0900 -1.0400 H 0 0 0 0 0 0 3.2000 1.4300 1.3600 H 0 0 0 0 0 0 3.6900 0.8500 -0.2700 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 22 1 1 0 23 1 1 0 24 1 1 0 25 2 1 0 26 2 1 0 27 4 1 0 28 5 1 0 29 9 1 0 30 9 1 0 31 9 1 0 32 12 1 0 33 13 1 0 34 13 1 0 35 14 1 0 36 14 1 0 37 15 1 0 38 15 1 0 39 16 1 0 40 16 1 0 41 18 1 0 42 18 1 0 43 19 1 0 44 19 1 0 45 20 1 0 46 20 1 0 47 21 1 0 48 21 1 0 M END $$$$