TDT2MOL COc1cc(C2=CC(=O)c3cc(OC)c(O)cc3C2=O)c(cc1OC)N(=O)=O 43 45 0 0 0 0 0 -4.5800 -2.1100 -2.2400 C 0 0 0 3 0 0 -3.2700 -1.9600 -1.9600 O 0 0 0 0 0 0 -3.1100 -0.9400 -1.0300 C 0 0 0 0 0 0 -1.8100 -0.6300 -0.6000 C 0 0 0 1 0 0 -1.4800 0.3700 0.3300 C 0 0 0 0 0 0 0.0000 0.4900 0.5900 C 0 0 0 0 0 0 0.5000 1.3000 1.5300 C 0 0 0 1 0 0 1.9600 1.5100 1.8500 C 0 0 0 0 0 0 2.2800 2.3100 2.7600 O 0 0 0 0 0 0 2.9800 0.7500 1.0800 C 0 0 0 0 0 0 4.3500 0.8800 1.3200 C 0 0 0 1 0 0 5.2600 0.1400 0.5500 C 0 0 0 0 0 0 6.6300 0.2900 0.8200 O 0 0 0 0 0 0 7.3700 -0.4900 0.0100 C 0 0 0 3 0 0 4.7900 -0.7200 -0.4400 C 0 0 0 0 0 0 5.6800 -1.4700 -1.2200 O 0 0 0 1 0 0 3.4200 -0.8500 -0.6800 C 0 0 0 1 0 0 2.5100 -0.1000 0.0900 C 0 0 0 0 0 0 1.0400 -0.2700 -0.2000 C 0 0 0 0 0 0 0.8600 -1.0700 -1.1300 O 0 0 0 0 0 0 -2.5300 1.1200 0.8600 C 0 0 0 0 0 0 -3.8500 0.8000 0.4100 C 0 0 0 1 0 0 -4.1700 -0.2000 -0.5100 C 0 0 0 0 0 0 -5.4800 -0.4500 -0.8900 O 0 0 0 0 0 0 -6.3600 0.3600 -0.2800 C 0 0 0 3 0 0 -2.6100 2.1900 1.7500 N 0 0 0 0 0 0 -3.8400 2.6500 2.0100 O 0 0 0 0 0 0 -1.7600 2.8700 2.4300 O 0 0 0 0 0 0 -4.9800 -1.1800 -2.6700 H 0 0 0 0 0 0 -4.7000 -2.9300 -2.9800 H 0 0 0 0 0 0 -5.1400 -2.3600 -1.3300 H 0 0 0 0 0 0 -1.0400 -1.2700 -1.0500 H 0 0 0 0 0 0 -0.1500 1.8900 2.1700 H 0 0 0 0 0 0 4.7200 1.5600 2.1000 H 0 0 0 0 0 0 7.2100 -0.2100 -1.0400 H 0 0 0 0 0 0 7.1200 -1.5400 0.1600 H 0 0 0 0 0 0 8.4400 -0.3400 0.2600 H 0 0 0 0 0 0 5.1900 -2.0000 -1.8400 H 0 0 0 0 0 0 3.0500 -1.5200 -1.4600 H 0 0 0 0 0 0 -4.6900 1.3800 0.8200 H 0 0 0 0 0 0 -6.3200 0.2300 0.8100 H 0 0 0 0 0 0 -6.1500 1.4100 -0.5400 H 0 0 0 0 0 0 -7.3800 0.1100 -0.6300 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 23 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 19 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 18 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 5 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 21 26 1 0 26 27 2 0 26 28 2 0 29 1 1 0 30 1 1 0 31 1 1 0 32 4 1 0 33 7 1 0 34 11 1 0 35 14 1 0 36 14 1 0 37 14 1 0 38 16 1 0 39 17 1 0 40 22 1 0 41 25 1 0 42 25 1 0 43 25 1 0 M END $$$$