TDT2MOL CC(=O)c1ccc2CCNCc2c1 26 27 0 0 0 0 0 -3.9000 0.6700 -0.2300 C 0 0 0 3 0 0 -3.2000 -0.5400 0.3300 C 0 0 0 0 0 0 -3.8700 -1.4900 0.7800 O 0 0 0 0 0 0 -1.7000 -0.6000 0.3300 C 0 0 0 0 0 0 -1.0500 -1.7300 0.8400 C 0 0 0 1 0 0 0.3500 -1.7800 0.8400 C 0 0 0 1 0 0 1.0900 -0.7100 0.3400 C 0 0 0 0 0 0 2.5900 -0.7700 0.3500 C 0 0 0 2 0 0 3.1600 0.2000 -0.6400 C 0 0 0 2 0 0 2.6100 1.5200 -0.4000 N 0 0 0 1 0 0 1.2100 1.5900 -0.7100 C 0 0 0 2 0 0 0.4400 0.4200 -0.1600 C 0 0 0 0 0 0 -0.9600 0.4800 -0.1700 C 0 0 0 1 0 0 -4.9900 0.5100 -0.1900 H 0 0 0 0 0 0 -3.6400 1.5500 0.3700 H 0 0 0 0 0 0 -3.5900 0.8300 -1.2700 H 0 0 0 0 0 0 -1.6400 -2.5700 1.2300 H 0 0 0 0 0 0 0.8600 -2.6700 1.2400 H 0 0 0 0 0 0 2.9400 -0.5100 1.3700 H 0 0 0 0 0 0 2.9200 -1.7900 0.1200 H 0 0 0 0 0 0 4.2600 0.2400 -0.5500 H 0 0 0 0 0 0 2.9100 -0.1200 -1.6700 H 0 0 0 0 0 0 2.8100 1.8000 0.5400 H 0 0 0 0 0 0 0.7600 2.5200 -0.3300 H 0 0 0 0 0 0 1.1000 1.5800 -1.8100 H 0 0 0 0 0 0 -1.4700 1.3600 -0.5700 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 13 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 12 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 14 1 1 0 15 1 1 0 16 1 1 0 17 5 1 0 18 6 1 0 19 8 1 0 20 8 1 0 21 9 1 0 22 9 1 0 23 10 1 0 24 11 1 0 25 11 1 0 26 13 1 0 M END $$$$