TDT2MOL COCC1NC(OC1c2ccccc2)c3cncc(c3)C(=O)OC 44 46 0 0 0 0 0 -3.5400 -2.9700 -0.0900 C 0 0 0 3 0 0 -2.5200 -2.7700 0.7600 O 0 0 0 0 0 0 -1.4200 -2.3200 0.1200 C 0 0 0 2 0 0 -1.6500 -0.9400 -0.3900 C 0 0 0 1 0 0 -0.4200 -0.3600 -0.9400 N 0 0 0 1 0 0 0.1700 0.3600 0.1600 C 0 0 0 1 0 0 -0.7200 0.4100 1.1900 O 0 0 0 0 0 0 -1.9500 0.0200 0.7400 C 0 0 0 1 0 0 -2.6500 1.2600 0.2500 C 0 0 0 0 0 0 -3.3500 2.0700 1.1500 C 0 0 0 1 0 0 -4.0000 3.2200 0.6900 C 0 0 0 1 0 0 -3.9400 3.5600 -0.6700 C 0 0 0 1 0 0 -3.2400 2.7500 -1.5700 C 0 0 0 1 0 0 -2.5900 1.6000 -1.1100 C 0 0 0 1 0 0 1.4300 -0.2600 0.6800 C 0 0 0 0 0 0 1.3800 -1.1200 1.7900 C 0 0 0 1 0 0 2.5600 -1.7000 2.2700 N 0 0 0 0 0 0 3.7800 -1.4300 1.6500 C 0 0 0 1 0 0 3.8300 -0.5800 0.5400 C 0 0 0 0 0 0 2.6600 0.0100 0.0600 C 0 0 0 1 0 0 5.1500 -0.2900 -0.1100 C 0 0 0 0 0 0 6.1900 -0.8200 0.3300 O 0 0 0 0 0 0 5.2200 0.5300 -1.1800 O 0 0 0 0 0 0 6.5100 0.8300 -1.4300 C 0 0 0 3 0 0 -3.9500 -2.0000 -0.4200 H 0 0 0 0 0 0 -3.2300 -3.5600 -0.9600 H 0 0 0 0 0 0 -4.3400 -3.5200 0.4400 H 0 0 0 0 0 0 -0.5800 -2.3100 0.8400 H 0 0 0 0 0 0 -1.1600 -2.9900 -0.7100 H 0 0 0 0 0 0 -2.4300 -0.9500 -1.1700 H 0 0 0 0 0 0 0.1500 -1.0000 -1.4100 H 0 0 0 0 0 0 0.3800 1.4000 -0.1500 H 0 0 0 0 0 0 -2.5300 -0.4200 1.5500 H 0 0 0 0 0 0 -3.4000 1.8000 2.2100 H 0 0 0 0 0 0 -4.5500 3.8600 1.3900 H 0 0 0 0 0 0 -4.4500 4.4700 -1.0300 H 0 0 0 0 0 0 -3.1900 3.0200 -2.6300 H 0 0 0 0 0 0 -2.0400 0.9600 -1.8100 H 0 0 0 0 0 0 0.4200 -1.3300 2.2700 H 0 0 0 0 0 0 4.7100 -1.8900 2.0300 H 0 0 0 0 0 0 2.7000 0.6800 -0.8100 H 0 0 0 0 0 0 7.0700 -0.0900 -1.6400 H 0 0 0 0 0 0 6.9400 1.3400 -0.5600 H 0 0 0 0 0 0 6.5700 1.5000 -2.3100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 8 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 14 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 6 15 1 0 15 20 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 25 1 1 0 26 1 1 0 27 1 1 0 28 3 1 0 29 3 1 0 30 4 1 0 31 5 1 0 32 6 1 0 33 8 1 0 34 10 1 0 35 11 1 0 36 12 1 0 37 13 1 0 38 14 1 0 39 16 1 0 40 18 1 0 41 20 1 0 42 24 1 0 43 24 1 0 44 24 1 0 M END $$$$