TDT2MOL CN1CCc2ccc(CC(=O)Nc3ccccn3)cc2C1 40 42 0 0 0 0 0 5.8200 1.3100 -1.1300 C 0 0 0 3 0 0 4.6300 0.5400 -0.8500 N 0 0 0 0 0 0 4.8900 -0.5800 0.0200 C 0 0 0 2 0 0 3.7200 -1.5200 -0.0400 C 0 0 0 2 0 0 2.4400 -0.7900 0.2700 C 0 0 0 0 0 0 1.3200 -1.5000 0.7100 C 0 0 0 1 0 0 0.1300 -0.8200 1.0000 C 0 0 0 1 0 0 0.0700 0.5700 0.8400 C 0 0 0 0 0 0 -1.2000 1.3100 1.1500 C 0 0 0 2 0 0 -2.3200 0.7700 0.3100 C 0 0 0 0 0 0 -2.2300 0.7600 -0.9400 O 0 0 0 0 0 0 -3.5200 0.2800 0.9500 N 0 0 0 1 0 0 -4.5800 -0.2200 0.1800 C 0 0 0 0 0 0 -5.7400 -0.7000 0.8100 C 0 0 0 1 0 0 -6.8000 -1.1900 0.0400 C 0 0 0 1 0 0 -6.7100 -1.2000 -1.3600 C 0 0 0 1 0 0 -5.5500 -0.7200 -1.9800 C 0 0 0 1 0 0 -4.4900 -0.2300 -1.2200 N 0 0 0 0 0 0 1.1900 1.2800 0.4000 C 0 0 0 1 0 0 2.3800 0.6000 0.1100 C 0 0 0 0 0 0 3.5700 1.3900 -0.3500 C 0 0 0 2 0 0 5.5900 2.1000 -1.8600 H 0 0 0 0 0 0 6.6000 0.6500 -1.5400 H 0 0 0 0 0 0 6.1900 1.7800 -0.2000 H 0 0 0 0 0 0 5.8000 -1.1200 -0.2800 H 0 0 0 0 0 0 5.0200 -0.2300 1.0600 H 0 0 0 0 0 0 3.8600 -2.3400 0.6700 H 0 0 0 0 0 0 3.6300 -1.9400 -1.0600 H 0 0 0 0 0 0 1.3700 -2.5900 0.8300 H 0 0 0 0 0 0 -0.7500 -1.3700 1.3400 H 0 0 0 0 0 0 -1.0600 2.3800 0.9400 H 0 0 0 0 0 0 -1.4500 1.1800 2.2100 H 0 0 0 0 0 0 -3.5900 0.2900 1.9500 H 0 0 0 0 0 0 -5.8100 -0.6900 1.9100 H 0 0 0 0 0 0 -7.7100 -1.5600 0.5300 H 0 0 0 0 0 0 -7.5400 -1.5900 -1.9600 H 0 0 0 0 0 0 -5.4800 -0.7300 -3.0800 H 0 0 0 0 0 0 1.1400 2.3700 0.2800 H 0 0 0 0 0 0 3.2500 2.0700 -1.1600 H 0 0 0 0 0 0 3.9300 1.9900 0.5000 H 0 0 0 0 0 0 1 2 1 0 2 21 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 20 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 18 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 8 19 1 0 19 20 2 0 20 21 1 0 22 1 1 0 23 1 1 0 24 1 1 0 25 3 1 0 26 3 1 0 27 4 1 0 28 4 1 0 29 6 1 0 30 7 1 0 31 9 1 0 32 9 1 0 33 12 1 0 34 14 1 0 35 15 1 0 36 16 1 0 37 17 1 0 38 19 1 0 39 21 1 0 40 21 1 0 M END $$$$