TDT2MOL COc1cc2ccnc(Cc3ccc(*)c(*)c3)c2cc1OCc1OCc1OC 38 40 0 0 0 0 0 -5.2800 -0.0100 0.5300 C 0 0 0 3 0 0 -4.2200 -0.6300 0.9600 O 0 0 0 0 0 0 -2.9500 -0.6000 0.4800 C 0 0 0 0 0 0 -2.1000 -1.3700 1.3500 C 0 0 0 1 0 0 -0.7400 -1.5200 1.1400 C 0 0 0 0 0 0 -0.0100 -2.3000 2.0400 C 0 0 0 1 0 0 1.3700 -2.4600 1.8400 C 0 0 0 1 0 0 1.9800 -1.8400 0.7500 N 0 0 0 0 0 0 1.2400 -1.0600 -0.1500 C 0 0 0 0 0 0 2.0200 -0.4500 -1.2800 C 0 0 0 2 0 0 3.1000 0.4300 -0.6900 C 0 0 0 0 0 0 4.4400 0.0800 -0.8600 C 0 0 0 1 0 0 5.4400 0.9000 -0.3100 C 0 0 0 1 0 0 5.0900 2.0600 0.3900 C 0 0 0 0 0 0 6.0500 2.8500 0.9100 R 0 0 0 0 0 0 3.7400 2.4000 0.5500 C 0 0 0 0 0 0 3.4100 3.5200 1.2200 R 0 0 0 0 0 0 2.7400 1.5900 0.0100 C 0 0 0 1 0 0 -0.1300 -0.9000 0.0500 C 0 0 0 0 0 0 -0.9300 -0.1500 -0.7900 C 0 0 0 1 0 0 -2.3400 0.0200 -0.6000 C 0 0 0 0 0 0 -2.8300 0.8000 -1.6100 O 0 0 0 0 0 0 -4.0600 1.1400 -1.8400 C 0 0 0 3 0 0 -5.9900 0.0900 1.3900 H 0 0 0 0 0 0 -5.0800 1.0100 0.2000 H 0 0 0 0 0 0 -5.8200 -0.5800 -0.2400 H 0 0 0 0 0 0 -2.5900 -1.8600 2.2100 H 0 0 0 0 0 0 -0.5100 -2.7800 2.9000 H 0 0 0 0 0 0 1.9600 -3.0700 2.5400 H 0 0 0 0 0 0 2.5100 -1.2600 -1.8500 H 0 0 0 0 0 0 1.4000 0.1400 -1.9500 H 0 0 0 0 0 0 4.7200 -0.8300 -1.4100 H 0 0 0 0 0 0 6.5000 0.6400 -0.4400 H 0 0 0 0 0 0 1.6900 1.8500 0.1300 H 0 0 0 0 0 0 -0.5400 0.3700 -1.6800 H 0 0 0 0 0 0 -4.1600 1.3700 -2.9300 H 0 0 0 0 0 0 -4.7800 0.3300 -1.6400 H 0 0 0 0 0 0 -4.3500 2.0600 -1.3100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 21 1 0 3 4 2 0 4 5 1 0 5 19 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 18 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 2 0 9 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 24 1 1 0 25 1 1 0 26 1 1 0 27 4 1 0 28 6 1 0 29 7 1 0 30 10 1 0 31 10 1 0 32 12 1 0 33 13 1 0 34 18 1 0 35 20 1 0 36 23 1 0 37 23 1 0 38 23 1 0 M END $$$$