TDT2MOL Cc1cn(CC(=O)NCCN2C(=O)C3C4CCC(C4)C3C2=O)c(=O)[nH]c1=O 49 52 0 0 0 0 0 -7.5400 0.5900 0.3700 C 0 0 0 3 0 0 -6.1600 -0.0200 0.3500 C 0 0 0 0 0 0 -5.4300 -0.0500 -0.8400 C 0 0 0 1 0 0 -4.1500 -0.6100 -0.8700 N 0 0 0 0 0 0 -3.3900 -0.6400 -2.1000 C 0 0 0 2 0 0 -1.9900 -0.1900 -1.8100 C 0 0 0 0 0 0 -1.1000 -0.3000 -2.6800 O 0 0 0 0 0 0 -1.6700 0.3800 -0.5200 N 0 0 0 1 0 0 -0.3200 0.8200 -0.2200 C 0 0 0 2 0 0 0.5000 -0.3400 0.2600 C 0 0 0 2 0 0 1.8200 0.0800 0.5700 N 0 0 0 0 0 0 2.5000 1.2900 0.0700 C 0 0 0 0 0 0 1.9900 2.1000 -0.6900 O 0 0 0 0 0 0 3.8900 1.3800 0.6400 C 0 0 0 1 0 0 4.9800 1.2200 -0.4000 C 0 0 0 1 0 0 4.6000 0.0500 -1.3200 C 0 0 0 2 0 0 4.7700 -1.1700 -0.4400 C 0 0 0 2 0 0 5.2300 -0.6000 0.9000 C 0 0 0 1 0 0 6.1100 0.5800 0.4300 C 0 0 0 2 0 0 4.0600 0.1300 1.5400 C 0 0 0 1 0 0 2.7600 -0.6200 1.4500 C 0 0 0 0 0 0 2.5100 -1.6800 2.0300 O 0 0 0 0 0 0 -3.6000 -1.1300 0.3100 C 0 0 0 0 0 0 -2.4500 -1.6300 0.2900 O 0 0 0 0 0 0 -4.3300 -1.1000 1.5000 N 0 0 0 1 0 0 -5.6100 -0.5400 1.5200 C 0 0 0 0 0 0 -6.2600 -0.5100 2.5900 O 0 0 0 0 0 0 -7.4600 1.6800 0.4000 H 0 0 0 0 0 0 -8.0800 0.2300 1.2600 H 0 0 0 0 0 0 -8.0800 0.2900 -0.5400 H 0 0 0 0 0 0 -5.8700 0.3700 -1.7700 H 0 0 0 0 0 0 -3.8500 0.0300 -2.8400 H 0 0 0 0 0 0 -3.3700 -1.6700 -2.4900 H 0 0 0 0 0 0 -2.3900 0.4700 0.1700 H 0 0 0 0 0 0 -0.3600 1.5900 0.5600 H 0 0 0 0 0 0 0.1300 1.2400 -1.1300 H 0 0 0 0 0 0 0.5100 -1.1200 -0.5300 H 0 0 0 0 0 0 0.0200 -0.7800 1.1500 H 0 0 0 0 0 0 4.0100 2.3100 1.1800 H 0 0 0 0 0 0 5.2900 2.1200 -0.8900 H 0 0 0 0 0 0 3.5800 0.2000 -1.7000 H 0 0 0 0 0 0 5.2900 0.0700 -2.1800 H 0 0 0 0 0 0 5.5500 -1.8600 -0.8100 H 0 0 0 0 0 0 3.8500 -1.7500 -0.3000 H 0 0 0 0 0 0 5.7500 -1.2800 1.5400 H 0 0 0 0 0 0 6.4400 1.2100 1.2500 H 0 0 0 0 0 0 6.9600 0.2600 -0.1700 H 0 0 0 0 0 0 4.2800 0.3800 2.5700 H 0 0 0 0 0 0 -3.9300 -1.4800 2.3400 H 0 0 0 0 0 0 1 2 1 0 2 26 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 21 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 20 1 0 14 15 1 0 15 19 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 2 0 4 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 2 0 28 1 1 0 29 1 1 0 30 1 1 0 31 3 1 0 32 5 1 0 33 5 1 0 34 8 1 0 35 9 1 0 36 9 1 0 37 10 1 0 38 10 1 0 39 14 1 0 40 15 1 0 41 16 1 0 42 16 1 0 43 17 1 0 44 17 1 0 45 18 1 0 46 19 1 0 47 19 1 0 48 20 1 0 49 25 1 0 M END $$$$