TDT2MOL Cc1nc(C)c(cc1C2=NC(C)(C)CO2)C(O)(c3ccccc3)c4ccccc4 55 58 0 0 0 0 0 -2.8500 1.9700 1.5500 C 0 0 0 3 0 0 -1.6000 1.3900 0.9500 C 0 0 0 0 0 0 -0.3500 1.9200 1.2900 N 0 0 0 0 0 0 0.8100 1.3800 0.7200 C 0 0 0 0 0 0 2.1500 1.9500 1.0900 C 0 0 0 3 0 0 0.7200 0.3200 -0.1800 C 0 0 0 0 0 0 -0.5300 -0.2000 -0.5300 C 0 0 0 1 0 0 -1.7000 0.3300 0.0400 C 0 0 0 0 0 0 -3.0200 -0.2300 -0.3300 C 0 0 0 0 0 0 -4.1100 0.2200 0.1600 N 0 0 0 0 0 0 -5.2200 -0.5900 -0.4400 C 0 0 0 0 0 0 -5.7300 -1.5000 0.6300 C 0 0 0 3 0 0 -6.2900 0.3500 -0.8700 C 0 0 0 3 0 0 -4.5100 -1.3000 -1.5400 C 0 0 0 2 0 0 -3.1700 -1.2600 -1.2100 O 0 0 0 0 0 0 1.9600 -0.2500 -0.7900 C 0 0 0 0 0 0 1.6900 -0.7000 -2.0400 O 0 0 0 1 0 0 2.4400 -1.4000 0.0600 C 0 0 0 0 0 0 1.9200 -1.5600 1.3500 C 0 0 0 1 0 0 2.3500 -2.6200 2.1500 C 0 0 0 1 0 0 3.3100 -3.5200 1.6600 C 0 0 0 1 0 0 3.8300 -3.3600 0.3700 C 0 0 0 1 0 0 3.3900 -2.2900 -0.4300 C 0 0 0 1 0 0 3.0300 0.8000 -0.8500 C 0 0 0 0 0 0 4.1500 0.7000 -0.0100 C 0 0 0 1 0 0 5.1500 1.6800 -0.0500 C 0 0 0 1 0 0 5.0400 2.7500 -0.9500 C 0 0 0 1 0 0 3.9200 2.8500 -1.7900 C 0 0 0 1 0 0 2.9200 1.8700 -1.7400 C 0 0 0 1 0 0 -3.4700 2.4100 0.7600 H 0 0 0 0 0 0 -3.4200 1.1700 2.0600 H 0 0 0 0 0 0 -2.5800 2.7400 2.2900 H 0 0 0 0 0 0 2.0300 2.6800 1.9000 H 0 0 0 0 0 0 2.5900 2.4400 0.2100 H 0 0 0 0 0 0 2.8100 1.1300 1.4300 H 0 0 0 0 0 0 -0.6000 -1.0400 -1.2400 H 0 0 0 0 0 0 -6.1000 -0.9200 1.4900 H 0 0 0 0 0 0 -4.9200 -2.1700 0.9700 H 0 0 0 0 0 0 -6.5500 -2.1100 0.2300 H 0 0 0 0 0 0 -5.8900 1.0500 -1.6300 H 0 0 0 0 0 0 -7.1300 -0.2200 -1.3100 H 0 0 0 0 0 0 -6.6600 0.9300 -0.0100 H 0 0 0 0 0 0 -4.6000 -0.7900 -2.5100 H 0 0 0 0 0 0 -4.7900 -2.3500 -1.6700 H 0 0 0 0 0 0 2.4800 -1.0500 -2.4300 H 0 0 0 0 0 0 1.1700 -0.8500 1.7300 H 0 0 0 0 0 0 1.9500 -2.7500 3.1600 H 0 0 0 0 0 0 3.6500 -4.3500 2.2900 H 0 0 0 0 0 0 4.5800 -4.0600 -0.0100 H 0 0 0 0 0 0 3.8000 -2.1700 -1.4400 H 0 0 0 0 0 0 4.2300 -0.1400 0.6900 H 0 0 0 0 0 0 6.0200 1.6000 0.6100 H 0 0 0 0 0 0 5.8200 3.5200 -0.9800 H 0 0 0 0 0 0 3.8300 3.6900 -2.4900 H 0 0 0 0 0 0 2.0400 1.9500 -2.4000 H 0 0 0 0 0 0 1 2 1 0 2 8 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 15 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 14 15 1 0 6 16 1 0 16 17 1 0 16 18 1 0 18 23 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 16 24 1 0 24 29 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 30 1 1 0 31 1 1 0 32 1 1 0 33 5 1 0 34 5 1 0 35 5 1 0 36 7 1 0 37 12 1 0 38 12 1 0 39 12 1 0 40 13 1 0 41 13 1 0 42 13 1 0 43 14 1 0 44 14 1 0 45 17 1 0 46 19 1 0 47 20 1 0 48 21 1 0 49 22 1 0 50 23 1 0 51 25 1 0 52 26 1 0 53 27 1 0 54 28 1 0 55 29 1 0 M END $$$$