TDT2MOL CCOC(=NS(=O)(=O)C)[N]1=NNC2CCCC21N3C(COC)CCC3COC 60 62 0 0 0 0 0 3.7400 -0.2600 0.7600 C 0 0 0 3 0 0 2.8300 0.5700 1.6200 C 0 0 0 2 0 0 1.6300 0.7700 1.0800 O 0 0 0 0 0 0 1.6100 0.8900 -0.2500 C 0 0 0 0 0 0 2.2300 1.8100 -0.8300 N 0 0 0 0 0 0 3.1800 3.0200 -0.0500 S 0 0 0 0 0 0 2.6400 3.3400 1.2600 O 0 0 0 0 0 0 3.1400 4.2400 -0.8500 O 0 0 0 0 0 0 4.9000 2.5000 0.1000 C 0 0 0 3 0 0 0.8600 -0.0100 -1.0800 N 0 0 0 0 0 0 1.3200 -0.3600 -2.2500 N 0 0 0 0 0 0 0.8300 -1.7200 -2.8100 N 0 0 0 1 0 0 -0.0400 -2.2000 -1.6900 C 0 0 0 1 0 0 0.5400 -3.4700 -1.1200 C 0 0 0 2 0 0 1.5400 -2.9600 -0.1000 C 0 0 0 2 0 0 0.7500 -1.8400 0.5700 C 0 0 0 2 0 0 0.0500 -1.1500 -0.5800 C 0 0 0 0 0 0 -1.2200 -0.6000 -0.2300 N 0 0 0 0 0 0 -1.2000 0.5200 0.7000 C 0 0 0 1 0 0 -1.0800 1.8100 -0.0500 C 0 0 0 2 0 0 -1.0200 2.8500 0.7900 O 0 0 0 0 0 0 -2.2000 3.3900 1.1300 C 0 0 0 3 0 0 -2.5000 0.4100 1.4600 C 0 0 0 2 0 0 -2.7000 -1.1000 1.5200 C 0 0 0 2 0 0 -2.2600 -1.5300 0.1400 C 0 0 0 1 0 0 -3.4000 -1.3600 -0.8400 C 0 0 0 2 0 0 -3.8500 -0.0900 -0.8200 O 0 0 0 0 0 0 -4.8500 0.0600 -1.7100 C 0 0 0 3 0 0 4.7300 -0.3500 1.2400 H 0 0 0 0 0 0 3.8500 0.2200 -0.2200 H 0 0 0 0 0 0 3.3100 -1.2600 0.6200 H 0 0 0 0 0 0 3.3000 1.5500 1.8300 H 0 0 0 0 0 0 2.7000 0.0500 2.6000 H 0 0 0 0 0 0 5.3100 2.2900 -0.9000 H 0 0 0 0 0 0 4.9600 1.5900 0.7200 H 0 0 0 0 0 0 5.4900 3.3000 0.5800 H 0 0 0 0 0 0 1.6000 -2.3200 -3.0500 H 0 0 0 0 0 0 -1.0300 -2.3300 -2.1200 H 0 0 0 0 0 0 -0.2400 -4.0400 -0.5900 H 0 0 0 0 0 0 1.0200 -4.1200 -1.8500 H 0 0 0 0 0 0 2.4000 -2.5200 -0.6300 H 0 0 0 0 0 0 1.8600 -3.7300 0.5900 H 0 0 0 0 0 0 0.0100 -2.3200 1.2400 H 0 0 0 0 0 0 1.4000 -1.2100 1.1700 H 0 0 0 0 0 0 -0.3600 0.4200 1.4000 H 0 0 0 0 0 0 -0.1400 1.7800 -0.6400 H 0 0 0 0 0 0 -1.9100 1.9000 -0.7700 H 0 0 0 0 0 0 -2.7100 2.7600 1.8700 H 0 0 0 0 0 0 -2.8400 3.5000 0.2400 H 0 0 0 0 0 0 -2.0300 4.3900 1.5600 H 0 0 0 0 0 0 -3.3300 0.8400 0.8700 H 0 0 0 0 0 0 -2.4900 0.8600 2.4500 H 0 0 0 0 0 0 -2.0000 -1.5000 2.2800 H 0 0 0 0 0 0 -3.7200 -1.3800 1.7800 H 0 0 0 0 0 0 -1.9400 -2.5800 0.1200 H 0 0 0 0 0 0 -3.0500 -1.6100 -1.8500 H 0 0 0 0 0 0 -4.2300 -2.0400 -0.5600 H 0 0 0 0 0 0 -5.7000 -0.5900 -1.4300 H 0 0 0 0 0 0 -4.5000 -0.2100 -2.7100 H 0 0 0 0 0 0 -5.1900 1.1100 -1.7000 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 17 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 17 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 25 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 19 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 29 1 1 0 30 1 1 0 31 1 1 0 32 2 1 0 33 2 1 0 34 9 1 0 35 9 1 0 36 9 1 0 37 12 1 0 38 13 1 0 39 14 1 0 40 14 1 0 41 15 1 0 42 15 1 0 43 16 1 0 44 16 1 0 45 19 1 0 46 20 1 0 47 20 1 0 48 22 1 0 49 22 1 0 50 22 1 0 51 23 1 0 52 23 1 0 53 24 1 0 54 24 1 0 55 25 1 0 56 26 1 0 57 26 1 0 58 28 1 0 59 28 1 0 60 28 1 0 M END $$$$