TDT2MOL Cc1cc2c(C#N)c3[nH]c4ccccc4n3c(=O)c2c(C)n1 34 37 0 0 0 0 0 -5.2700 -0.7700 -0.1300 C 0 0 0 3 0 0 -3.8400 -0.3000 -0.1600 C 0 0 0 0 0 0 -2.8000 -1.1800 0.1400 C 0 0 0 1 0 0 -1.4800 -0.7400 0.1100 C 0 0 0 0 0 0 -0.4400 -1.6400 0.4100 C 0 0 0 0 0 0 -0.7600 -3.0600 0.7700 C 0 0 0 0 0 0 -1.2000 -4.0700 1.0900 N 0 0 0 0 0 0 0.8800 -1.1900 0.3700 C 0 0 0 0 0 0 2.0800 -1.8500 0.6300 N 0 0 0 1 0 0 3.1100 -0.9300 0.4400 C 0 0 0 0 0 0 4.4900 -1.0700 0.5700 C 0 0 0 1 0 0 5.3100 0.0400 0.3200 C 0 0 0 1 0 0 4.7500 1.2700 -0.0500 C 0 0 0 1 0 0 3.3600 1.4000 -0.1700 C 0 0 0 1 0 0 2.5400 0.3000 0.0800 C 0 0 0 0 0 0 1.1700 0.1400 0.0300 N 0 0 0 0 0 0 0.1400 1.0300 -0.2700 C 0 0 0 0 0 0 0.3900 2.2100 -0.5700 O 0 0 0 0 0 0 -1.1900 0.5800 -0.2300 C 0 0 0 0 0 0 -2.2300 1.4700 -0.5400 C 0 0 0 0 0 0 -1.9100 2.8900 -0.9000 C 0 0 0 3 0 0 -3.5500 1.0300 -0.5000 N 0 0 0 0 0 0 -5.9400 0.0900 -0.2000 H 0 0 0 0 0 0 -5.4500 -1.4500 -0.9700 H 0 0 0 0 0 0 -5.4500 -1.3000 0.8200 H 0 0 0 0 0 0 -3.0300 -2.2300 0.4100 H 0 0 0 0 0 0 2.1800 -2.8100 0.8900 H 0 0 0 0 0 0 4.9300 -2.0300 0.8500 H 0 0 0 0 0 0 6.4000 -0.0600 0.4200 H 0 0 0 0 0 0 5.4000 2.1300 -0.2400 H 0 0 0 0 0 0 2.9200 2.3700 -0.4600 H 0 0 0 0 0 0 -2.8500 3.4800 -0.9100 H 0 0 0 0 0 0 -1.2200 3.3200 -0.1600 H 0 0 0 0 0 0 -1.4500 2.9300 -1.9000 H 0 0 0 0 0 0 1 2 1 0 2 22 1 0 2 3 2 0 3 4 1 0 4 19 2 0 4 5 1 0 5 6 1 0 6 7 3 0 5 8 2 0 8 16 1 0 8 9 1 0 9 10 1 0 10 15 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 2 0 23 1 1 0 24 1 1 0 25 1 1 0 26 3 1 0 27 9 1 0 28 11 1 0 29 12 1 0 30 13 1 0 31 14 1 0 32 21 1 0 33 21 1 0 34 21 1 0 M END $$$$