TDT2MOL COc1nccc(c2ccccc2N)c1C(=O)N(C(C)C)C(C)C 49 50 0 0 0 0 0 0.9800 -3.8800 1.4900 C 0 0 0 3 0 0 0.9400 -2.6200 1.0200 O 0 0 0 0 0 0 -0.3700 -2.1400 1.0800 C 0 0 0 0 0 0 -1.3200 -3.0400 1.6000 N 0 0 0 0 0 0 -2.6700 -2.7000 1.7300 C 0 0 0 1 0 0 -3.0700 -1.4200 1.3300 C 0 0 0 1 0 0 -2.1400 -0.5300 0.8200 C 0 0 0 0 0 0 -2.5500 0.8000 0.4000 C 0 0 0 0 0 0 -2.3800 1.8900 1.2700 C 0 0 0 1 0 0 -2.7700 3.1700 0.8800 C 0 0 0 1 0 0 -3.3300 3.3700 -0.3900 C 0 0 0 1 0 0 -3.5000 2.2900 -1.2600 C 0 0 0 1 0 0 -3.1100 1.0000 -0.8700 C 0 0 0 0 0 0 -3.2700 -0.0800 -1.7400 N 0 0 0 2 0 0 -0.7600 -0.8700 0.6800 C 0 0 0 0 0 0 0.0400 0.2400 0.1100 C 0 0 0 0 0 0 -0.6300 1.3100 -0.1100 O 0 0 0 0 0 0 1.4400 0.3300 -0.2500 N 0 0 0 0 0 0 2.3000 -0.8100 -0.0700 C 0 0 0 1 0 0 1.8400 -1.9400 -0.9500 C 0 0 0 3 0 0 3.7500 -0.5200 -0.3200 C 0 0 0 3 0 0 1.8200 1.6400 -0.7800 C 0 0 0 1 0 0 2.8600 1.6000 -1.8300 C 0 0 0 3 0 0 2.2100 2.5300 0.3700 C 0 0 0 3 0 0 0.3400 -4.5300 0.8700 H 0 0 0 0 0 0 2.0200 -4.2500 1.4500 H 0 0 0 0 0 0 0.6200 -3.9000 2.5300 H 0 0 0 0 0 0 -3.3900 -3.4200 2.1300 H 0 0 0 0 0 0 -4.1300 -1.1200 1.4200 H 0 0 0 0 0 0 -1.9400 1.7300 2.2700 H 0 0 0 0 0 0 -2.6400 4.0200 1.5600 H 0 0 0 0 0 0 -3.6400 4.3800 -0.7000 H 0 0 0 0 0 0 -3.9300 2.4500 -2.2600 H 0 0 0 0 0 0 -3.6700 0.0600 -2.6400 H 0 0 0 0 0 0 -2.9900 -1.0000 -1.4500 H 0 0 0 0 0 0 2.1900 -1.1000 1.0000 H 0 0 0 0 0 0 0.7600 -2.1100 -0.8900 H 0 0 0 0 0 0 2.3700 -2.8700 -0.6800 H 0 0 0 0 0 0 2.0800 -1.7000 -2.0000 H 0 0 0 0 0 0 4.3900 -1.3500 0.0400 H 0 0 0 0 0 0 3.9500 -0.4100 -1.4000 H 0 0 0 0 0 0 4.0400 0.4000 0.2100 H 0 0 0 0 0 0 0.8700 2.0500 -1.2000 H 0 0 0 0 0 0 2.7300 0.7300 -2.5000 H 0 0 0 0 0 0 2.8400 2.5100 -2.4700 H 0 0 0 0 0 0 3.8900 1.5600 -1.4100 H 0 0 0 0 0 0 2.4300 3.5400 -0.0200 H 0 0 0 0 0 0 3.1200 2.1200 0.8400 H 0 0 0 0 0 0 1.4100 2.5900 1.1200 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 15 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 7 15 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 25 1 1 0 26 1 1 0 27 1 1 0 28 5 1 0 29 6 1 0 30 9 1 0 31 10 1 0 32 11 1 0 33 12 1 0 34 14 1 0 35 14 1 0 36 19 1 0 37 20 1 0 38 20 1 0 39 20 1 0 40 21 1 0 41 21 1 0 42 21 1 0 43 22 1 0 44 23 1 0 45 23 1 0 46 23 1 0 47 24 1 0 48 24 1 0 49 24 1 0 M END $$$$