TDT2MOL Oc1ccc(Cc2nc3c(Cc4ccccc4)[nH]c(cn3c2=O)c5ccc(O)cc5)cc1 53 57 0 0 0 0 0 -7.3900 1.2400 -1.4400 O 0 0 0 1 0 0 -6.3400 0.8200 -0.6200 C 0 0 0 0 0 0 -6.1600 -0.5500 -0.3700 C 0 0 0 1 0 0 -5.1000 -0.9800 0.4500 C 0 0 0 1 0 0 -4.2300 -0.0400 1.0100 C 0 0 0 0 0 0 -3.1000 -0.5000 1.8900 C 0 0 0 2 0 0 -1.8000 -0.1900 1.2200 C 0 0 0 0 0 0 -0.9900 -1.1200 0.5300 N 0 0 0 0 0 0 0.1300 -0.4400 0.0600 C 0 0 0 0 0 0 1.2300 -0.8800 -0.6700 C 0 0 0 0 0 0 1.3500 -2.3100 -1.0900 C 0 0 0 2 0 0 1.3200 -3.2100 0.1100 C 0 0 0 0 0 0 1.6000 -4.5700 -0.0500 C 0 0 0 1 0 0 1.5800 -5.4300 1.0500 C 0 0 0 1 0 0 1.2700 -4.9200 2.3200 C 0 0 0 1 0 0 0.9900 -3.5600 2.4800 C 0 0 0 1 0 0 1.0200 -2.7100 1.3800 C 0 0 0 1 0 0 2.2300 0.0400 -1.0100 N 0 0 0 1 0 0 2.1200 1.3800 -0.6300 C 0 0 0 0 0 0 1.0100 1.8200 0.1100 C 0 0 0 1 0 0 0.0200 0.9000 0.4500 N 0 0 0 0 0 0 -1.1600 1.0600 1.1600 C 0 0 0 0 0 0 -1.6000 2.1200 1.6700 O 0 0 0 0 0 0 3.1700 2.3200 -0.9900 C 0 0 0 0 0 0 3.1500 2.9400 -2.2400 C 0 0 0 1 0 0 4.1600 3.8500 -2.5800 C 0 0 0 1 0 0 5.1900 4.1400 -1.6700 C 0 0 0 0 0 0 6.1900 5.0400 -2.0200 O 0 0 0 1 0 0 5.2000 3.5200 -0.4200 C 0 0 0 1 0 0 4.1900 2.6100 -0.0700 C 0 0 0 1 0 0 -4.4100 1.3300 0.7600 C 0 0 0 1 0 0 -5.4700 1.7500 -0.0600 C 0 0 0 1 0 0 -7.8800 0.4900 -1.7400 H 0 0 0 0 0 0 -6.8400 -1.2900 -0.8200 H 0 0 0 0 0 0 -4.9600 -2.0500 0.6400 H 0 0 0 0 0 0 -3.1500 0.0300 2.8500 H 0 0 0 0 0 0 -3.1900 -1.5800 2.0600 H 0 0 0 0 0 0 0.5200 -2.5700 -1.7600 H 0 0 0 0 0 0 2.3000 -2.4500 -1.6300 H 0 0 0 0 0 0 1.8400 -4.9700 -1.0500 H 0 0 0 0 0 0 1.8000 -6.5000 0.9300 H 0 0 0 0 0 0 1.2500 -5.6000 3.1900 H 0 0 0 0 0 0 0.7600 -3.1600 3.4800 H 0 0 0 0 0 0 0.8000 -1.6400 1.5100 H 0 0 0 0 0 0 3.0200 -0.2600 -1.5400 H 0 0 0 0 0 0 0.9300 2.8700 0.4100 H 0 0 0 0 0 0 2.3500 2.7200 -2.9600 H 0 0 0 0 0 0 4.1500 4.3400 -3.5700 H 0 0 0 0 0 0 6.0400 5.3700 -2.8900 H 0 0 0 0 0 0 6.0000 3.7400 0.3000 H 0 0 0 0 0 0 4.2000 2.1200 0.9100 H 0 0 0 0 0 0 -3.7300 2.0600 1.2100 H 0 0 0 0 0 0 -5.6100 2.8300 -0.2600 H 0 0 0 0 0 0 1 2 1 0 2 32 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 22 1 0 7 8 2 0 8 9 1 0 9 21 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 17 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 10 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 19 24 1 0 24 30 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 27 29 1 0 29 30 2 0 5 31 1 0 31 32 2 0 33 1 1 0 34 3 1 0 35 4 1 0 36 6 1 0 37 6 1 0 38 11 1 0 39 11 1 0 40 13 1 0 41 14 1 0 42 15 1 0 43 16 1 0 44 17 1 0 45 18 1 0 46 20 1 0 47 25 1 0 48 26 1 0 49 28 1 0 50 29 1 0 51 30 1 0 52 31 1 0 53 32 1 0 M END $$$$