TDT2MOL CCCC1CCC(CCC)N1NS(=O)(=O)C 40 40 0 0 0 0 0 -3.9500 -1.7500 0.5100 C 0 0 0 3 0 0 -3.7400 -0.3200 0.8900 C 0 0 0 2 0 0 -2.2800 0.0100 1.0300 C 0 0 0 2 0 0 -1.4900 -0.2900 -0.1800 C 0 0 0 1 0 0 -0.9500 -1.7100 -0.2400 C 0 0 0 2 0 0 0.1900 -1.5700 -1.2500 C 0 0 0 2 0 0 0.8200 -0.2600 -0.8500 C 0 0 0 1 0 0 1.8900 -0.4600 0.2000 C 0 0 0 2 0 0 3.0600 -1.2000 -0.3700 C 0 0 0 2 0 0 4.1300 -1.3500 0.6700 C 0 0 0 3 0 0 -0.2600 0.5100 -0.2500 N 0 0 0 0 0 0 -0.4400 1.8500 -0.6700 N 0 0 0 1 0 0 0.9500 2.9000 -0.9200 S 0 0 0 0 0 0 0.7800 3.6300 -2.1600 O 0 0 0 0 0 0 2.1500 2.0900 -1.0000 O 0 0 0 0 0 0 1.0800 4.0600 0.4500 C 0 0 0 3 0 0 -3.4100 -2.4100 1.2100 H 0 0 0 0 0 0 -5.0200 -2.0100 0.5400 H 0 0 0 0 0 0 -3.5900 -1.9400 -0.5200 H 0 0 0 0 0 0 -4.1900 0.3300 0.1100 H 0 0 0 0 0 0 -4.2700 -0.1000 1.8300 H 0 0 0 0 0 0 -2.2200 1.0900 1.3100 H 0 0 0 0 0 0 -1.8800 -0.5400 1.9100 H 0 0 0 0 0 0 -2.0500 -0.1100 -1.1100 H 0 0 0 0 0 0 -0.5200 -1.9600 0.7400 H 0 0 0 0 0 0 -1.6800 -2.4500 -0.5400 H 0 0 0 0 0 0 0.8500 -2.4300 -1.2200 H 0 0 0 0 0 0 -0.2600 -1.5000 -2.2600 H 0 0 0 0 0 0 1.2800 0.2600 -1.7000 H 0 0 0 0 0 0 1.4700 -1.0300 1.0400 H 0 0 0 0 0 0 2.2300 0.5200 0.5600 H 0 0 0 0 0 0 2.7500 -2.2000 -0.7100 H 0 0 0 0 0 0 3.4600 -0.6400 -1.2300 H 0 0 0 0 0 0 3.7300 -1.9100 1.5300 H 0 0 0 0 0 0 4.9900 -1.8800 0.2500 H 0 0 0 0 0 0 4.4400 -0.3500 1.0100 H 0 0 0 0 0 0 -1.3600 2.2500 -0.7900 H 0 0 0 0 0 0 1.2000 3.5000 1.3900 H 0 0 0 0 0 0 1.9500 4.7100 0.3000 H 0 0 0 0 0 0 0.1700 4.6700 0.5000 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 11 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 7 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 17 1 1 0 18 1 1 0 19 1 1 0 20 2 1 0 21 2 1 0 22 3 1 0 23 3 1 0 24 4 1 0 25 5 1 0 26 5 1 0 27 6 1 0 28 6 1 0 29 7 1 0 30 8 1 0 31 8 1 0 32 9 1 0 33 9 1 0 34 10 1 0 35 10 1 0 36 10 1 0 37 12 1 0 38 16 1 0 39 16 1 0 40 16 1 0 M END $$$$