TDT2MOL Cc1nc(C)c(cc1C(=O)c2ccccc2)C3=NC(C)(C)CO3 43 45 0 0 0 0 0 -2.6900 1.6500 -1.9400 C 0 0 0 3 0 0 -1.4500 1.0900 -1.3000 C 0 0 0 0 0 0 -0.2600 1.5200 -1.9200 N 0 0 0 0 0 0 1.0000 1.1100 -1.4700 C 0 0 0 0 0 0 2.2400 1.5900 -2.1500 C 0 0 0 3 0 0 1.0600 0.2400 -0.3800 C 0 0 0 0 0 0 -0.1200 -0.1800 0.2300 C 0 0 0 1 0 0 -1.4100 0.2300 -0.2200 C 0 0 0 0 0 0 -2.4800 -0.3800 0.6100 C 0 0 0 0 0 0 -1.9800 -1.1300 1.5400 O 0 0 0 0 0 0 -3.9600 -0.3800 0.7000 C 0 0 0 0 0 0 -4.4300 -1.2000 1.7700 C 0 0 0 1 0 0 -5.7900 -1.3400 2.0200 C 0 0 0 1 0 0 -6.7300 -0.6800 1.2300 C 0 0 0 1 0 0 -6.2800 0.1300 0.1800 C 0 0 0 1 0 0 -4.9000 0.2700 -0.0800 C 0 0 0 1 0 0 2.3600 -0.2300 0.1500 C 0 0 0 0 0 0 3.4600 0.1400 -0.3700 N 0 0 0 0 0 0 4.5600 -0.5300 0.4000 C 0 0 0 0 0 0 5.2100 0.5300 1.2400 C 0 0 0 3 0 0 5.5300 -1.1000 -0.5700 C 0 0 0 3 0 0 3.7900 -1.5300 1.2000 C 0 0 0 2 0 0 2.4900 -1.0800 1.2100 O 0 0 0 0 0 0 -3.2900 0.8400 -2.3600 H 0 0 0 0 0 0 -2.3600 2.3000 -2.7800 H 0 0 0 0 0 0 -3.2300 2.2700 -1.2200 H 0 0 0 0 0 0 2.7700 2.3000 -1.4900 H 0 0 0 0 0 0 1.9800 2.0900 -3.0900 H 0 0 0 0 0 0 2.9000 0.7300 -2.3600 H 0 0 0 0 0 0 -0.0600 -0.8700 1.0900 H 0 0 0 0 0 0 -3.6900 -1.7200 2.3900 H 0 0 0 0 0 0 -6.1300 -1.9800 2.8600 H 0 0 0 0 0 0 -7.8100 -0.7800 1.4200 H 0 0 0 0 0 0 -6.9900 0.6600 -0.4700 H 0 0 0 0 0 0 -4.6300 0.9200 -0.9200 H 0 0 0 0 0 0 5.6200 1.3200 0.5900 H 0 0 0 0 0 0 6.0200 0.0800 1.8200 H 0 0 0 0 0 0 4.4700 0.9700 1.9300 H 0 0 0 0 0 0 6.3600 -1.5800 -0.0200 H 0 0 0 0 0 0 5.9400 -0.3000 -1.2000 H 0 0 0 0 0 0 5.0300 -1.8500 -1.2000 H 0 0 0 0 0 0 4.1200 -1.6300 2.2400 H 0 0 0 0 0 0 3.7600 -2.5200 0.7300 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 10 2 0 9 11 1 0 11 16 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 6 17 1 0 17 23 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 1 0 19 22 1 0 22 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 5 1 0 28 5 1 0 29 5 1 0 30 7 1 0 31 12 1 0 32 13 1 0 33 14 1 0 34 15 1 0 35 16 1 0 36 20 1 0 37 20 1 0 38 20 1 0 39 21 1 0 40 21 1 0 41 21 1 0 42 22 1 0 43 22 1 0 M END $$$$