TDT2MOL Cc1nc(C)c(cc1C(=O)OC(C)(C)C)C2=NC(C)(C)CC2 48 49 0 0 0 0 0 -2.5600 -3.4500 -0.2100 C 0 0 0 3 0 0 -1.2900 -2.6700 -0.1500 C 0 0 0 0 0 0 -0.0700 -3.3300 0.0200 N 0 0 0 0 0 0 1.1300 -2.6000 0.0900 C 0 0 0 0 0 0 2.4100 -3.3700 0.2700 C 0 0 0 3 0 0 1.1200 -1.2100 -0.0200 C 0 0 0 0 0 0 -0.1100 -0.5500 -0.1900 C 0 0 0 1 0 0 -1.3100 -1.2700 -0.2500 C 0 0 0 0 0 0 -2.6000 -0.5500 -0.4400 C 0 0 0 0 0 0 -3.6800 -1.1700 -0.5100 O 0 0 0 0 0 0 -2.6700 0.7800 -0.5500 O 0 0 0 0 0 0 -3.7800 1.3400 -0.0600 C 0 0 0 0 0 0 -4.9700 0.4500 0.1200 C 0 0 0 3 0 0 -3.4400 1.9600 1.2800 C 0 0 0 3 0 0 -4.1500 2.4800 -0.9900 C 0 0 0 3 0 0 2.3300 -0.3700 0.0300 C 0 0 0 0 0 0 2.2800 0.9000 -0.0900 N 0 0 0 0 0 0 3.6400 1.4900 -0.0100 C 0 0 0 0 0 0 4.0900 1.7500 -1.4200 C 0 0 0 3 0 0 3.5700 2.7700 0.7400 C 0 0 0 3 0 0 4.4700 0.4200 0.6500 C 0 0 0 2 0 0 3.7600 -0.8600 0.2300 C 0 0 0 2 0 0 -2.3300 -4.5200 -0.3200 H 0 0 0 0 0 0 -3.1600 -3.1200 -1.0800 H 0 0 0 0 0 0 -3.1400 -3.2900 0.7100 H 0 0 0 0 0 0 3.1800 -2.9600 -0.4000 H 0 0 0 0 0 0 2.2300 -4.4300 0.0100 H 0 0 0 0 0 0 2.7400 -3.3100 1.3100 H 0 0 0 0 0 0 -0.1300 0.5500 -0.2800 H 0 0 0 0 0 0 -4.7800 -0.3100 0.8900 H 0 0 0 0 0 0 -5.2600 -0.0100 -0.8400 H 0 0 0 0 0 0 -5.8300 1.0600 0.4700 H 0 0 0 0 0 0 -4.3100 2.5000 1.6800 H 0 0 0 0 0 0 -2.6100 2.6700 1.1800 H 0 0 0 0 0 0 -3.1600 1.1500 1.9800 H 0 0 0 0 0 0 -4.4000 2.0600 -1.9800 H 0 0 0 0 0 0 -3.3200 3.1900 -1.0900 H 0 0 0 0 0 0 -5.0300 3.0100 -0.5900 H 0 0 0 0 0 0 5.1000 2.1900 -1.4000 H 0 0 0 0 0 0 4.1200 0.8100 -1.9900 H 0 0 0 0 0 0 3.4000 2.4500 -1.9100 H 0 0 0 0 0 0 2.8700 3.4600 0.2400 H 0 0 0 0 0 0 4.5600 3.2400 0.7800 H 0 0 0 0 0 0 3.2200 2.5800 1.7700 H 0 0 0 0 0 0 4.4300 0.5200 1.7500 H 0 0 0 0 0 0 5.5200 0.4300 0.3500 H 0 0 0 0 0 0 4.1200 -1.2200 -0.7500 H 0 0 0 0 0 0 3.7900 -1.6500 0.9700 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 12 1 0 12 13 1 0 12 14 1 0 12 15 1 0 6 16 1 0 16 22 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 21 22 1 0 23 1 1 0 24 1 1 0 25 1 1 0 26 5 1 0 27 5 1 0 28 5 1 0 29 7 1 0 30 13 1 0 31 13 1 0 32 13 1 0 33 14 1 0 34 14 1 0 35 14 1 0 36 15 1 0 37 15 1 0 38 15 1 0 39 19 1 0 40 19 1 0 41 19 1 0 42 20 1 0 43 20 1 0 44 20 1 0 45 21 1 0 46 21 1 0 47 22 1 0 48 22 1 0 M END $$$$