TDT2MOL CCC(C)c1nc2c(CCCNC(=N)N)[nH]c(cn2c1=O)c3c[nH]c4ccccc34 57 60 0 0 0 0 0 -5.4200 -3.8000 0.0100 C 0 0 0 3 0 0 -4.4500 -2.6600 -0.0500 C 0 0 0 2 0 0 -3.0800 -3.1400 -0.4100 C 0 0 0 1 0 0 -2.5800 -4.1100 0.6100 C 0 0 0 3 0 0 -2.1500 -1.9700 -0.4900 C 0 0 0 0 0 0 -0.7500 -2.0100 -0.4100 N 0 0 0 0 0 0 -0.2700 -0.7100 -0.5300 C 0 0 0 0 0 0 1.0300 -0.2000 -0.5200 C 0 0 0 0 0 0 2.2100 -1.1100 -0.3500 C 0 0 0 2 0 0 1.7700 -2.4200 0.2100 C 0 0 0 2 0 0 2.9600 -3.3300 0.3800 C 0 0 0 2 0 0 3.9100 -2.7300 1.2800 N 0 0 0 1 0 0 5.0000 -1.8900 0.8000 C 0 0 0 0 0 0 5.8000 -1.4000 1.6200 N 0 0 0 1 0 0 5.1700 -1.6200 -0.6100 N 0 0 0 2 0 0 1.2200 1.1800 -0.6600 N 0 0 0 1 0 0 0.1200 2.0300 -0.8100 C 0 0 0 0 0 0 -1.1800 1.5100 -0.8300 C 0 0 0 1 0 0 -1.3600 0.1400 -0.6800 N 0 0 0 0 0 0 -2.5200 -0.6300 -0.6600 C 0 0 0 0 0 0 -3.7000 -0.2100 -0.7700 O 0 0 0 0 0 0 0.3200 3.4600 -0.9600 C 0 0 0 0 0 0 0.8600 4.1100 -2.0800 C 0 0 0 1 0 0 0.8700 5.4900 -1.8200 N 0 0 0 1 0 0 0.3400 5.6900 -0.5500 C 0 0 0 0 0 0 0.1200 6.8500 0.1900 C 0 0 0 1 0 0 -0.4500 6.7500 1.4700 C 0 0 0 1 0 0 -0.7900 5.5000 2.0000 C 0 0 0 1 0 0 -0.5700 4.3300 1.2500 C 0 0 0 1 0 0 -0.0100 4.4400 -0.0200 C 0 0 0 0 0 0 -6.4300 -3.4300 0.2200 H 0 0 0 0 0 0 -5.4200 -4.3300 -0.9600 H 0 0 0 0 0 0 -5.1300 -4.5000 0.8100 H 0 0 0 0 0 0 -4.7900 -1.9400 -0.8200 H 0 0 0 0 0 0 -4.4200 -2.1500 0.9200 H 0 0 0 0 0 0 -3.1100 -3.6400 -1.4000 H 0 0 0 0 0 0 -3.2100 -5.0000 0.6400 H 0 0 0 0 0 0 -2.5800 -3.6300 1.6000 H 0 0 0 0 0 0 -1.5500 -4.4200 0.3700 H 0 0 0 0 0 0 2.9400 -0.6400 0.3300 H 0 0 0 0 0 0 2.6900 -1.2700 -1.3300 H 0 0 0 0 0 0 1.0500 -2.8900 -0.4700 H 0 0 0 0 0 0 1.3000 -2.2600 1.1900 H 0 0 0 0 0 0 2.6200 -4.2900 0.7900 H 0 0 0 0 0 0 3.4300 -3.5100 -0.6000 H 0 0 0 0 0 0 3.8300 -2.8900 2.2700 H 0 0 0 0 0 0 5.6800 -1.5800 2.6000 H 0 0 0 0 0 0 4.5500 -2.0100 -1.2900 H 0 0 0 0 0 0 5.9300 -1.0400 -0.9200 H 0 0 0 0 0 0 2.1500 1.5500 -0.6500 H 0 0 0 0 0 0 -2.0400 2.1900 -0.9500 H 0 0 0 0 0 0 1.2200 3.6300 -3.0000 H 0 0 0 0 0 0 1.2100 6.2000 -2.4400 H 0 0 0 0 0 0 0.3800 7.8300 -0.2200 H 0 0 0 0 0 0 -0.6200 7.6600 2.0600 H 0 0 0 0 0 0 -1.2400 5.4300 3.0000 H 0 0 0 0 0 0 -0.8400 3.3500 1.6700 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 20 1 0 5 6 2 0 6 7 1 0 7 19 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 8 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 20 21 2 0 17 22 1 0 22 30 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 30 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 31 1 1 0 32 1 1 0 33 1 1 0 34 2 1 0 35 2 1 0 36 3 1 0 37 4 1 0 38 4 1 0 39 4 1 0 40 9 1 0 41 9 1 0 42 10 1 0 43 10 1 0 44 11 1 0 45 11 1 0 46 12 1 0 47 14 1 0 48 15 1 0 49 15 1 0 50 16 1 0 51 18 1 0 52 23 1 0 53 24 1 0 54 26 1 0 55 27 1 0 56 28 1 0 57 29 1 0 M END $$$$