TDT2MOL COc1cc(Br)c(cc1OC)c2ccc3cc(OC)c(OC)cc3c2O 45 47 0 0 0 0 0 -6.4700 0.0900 -1.3600 C 0 0 0 3 0 0 -5.9900 1.1200 -0.6500 O 0 0 0 0 0 0 -4.6700 0.9200 -0.2600 C 0 0 0 0 0 0 -4.0400 1.9200 0.5000 C 0 0 0 1 0 0 -2.7200 1.7700 0.9200 C 0 0 0 0 0 0 -1.8700 3.1300 1.9400 Br 0 0 0 0 0 0 -2.0200 0.6000 0.5900 C 0 0 0 0 0 0 -2.6400 -0.4000 -0.1600 C 0 0 0 1 0 0 -3.9700 -0.2500 -0.5900 C 0 0 0 0 0 0 -4.5900 -1.2400 -1.3400 O 0 0 0 0 0 0 -3.7700 -2.2800 -1.5600 C 0 0 0 3 0 0 -0.6400 0.4400 1.0200 C 0 0 0 0 0 0 -0.3400 0.3700 2.3900 C 0 0 0 1 0 0 0.9800 0.2200 2.8100 C 0 0 0 1 0 0 2.0100 0.1300 1.8700 C 0 0 0 0 0 0 3.3300 -0.0200 2.2800 C 0 0 0 1 0 0 4.3700 -0.1100 1.3400 C 0 0 0 0 0 0 5.6700 -0.2700 1.8000 O 0 0 0 0 0 0 6.5600 -0.3300 0.8000 C 0 0 0 3 0 0 4.0700 -0.0400 -0.0300 C 0 0 0 0 0 0 5.1000 -0.1300 -0.9700 O 0 0 0 0 0 0 4.6300 -0.0500 -2.2300 C 0 0 0 3 0 0 2.7400 0.1100 -0.4400 C 0 0 0 1 0 0 1.7100 0.2000 0.5000 C 0 0 0 0 0 0 0.3900 0.3500 0.0800 C 0 0 0 0 0 0 0.0900 0.4200 -1.2900 O 0 0 0 1 0 0 -7.5100 0.3100 -1.6500 H 0 0 0 0 0 0 -5.8700 -0.0400 -2.2800 H 0 0 0 0 0 0 -6.4500 -0.8300 -0.7600 H 0 0 0 0 0 0 -4.6000 2.8400 0.7600 H 0 0 0 0 0 0 -2.0800 -1.3100 -0.4200 H 0 0 0 0 0 0 -3.4600 -2.7300 -0.6000 H 0 0 0 0 0 0 -2.8900 -1.9500 -2.1200 H 0 0 0 0 0 0 -4.3100 -3.0400 -2.1500 H 0 0 0 0 0 0 -1.1500 0.4400 3.1300 H 0 0 0 0 0 0 1.2100 0.1600 3.8800 H 0 0 0 0 0 0 3.5700 -0.0800 3.3500 H 0 0 0 0 0 0 6.3400 -1.2000 0.1600 H 0 0 0 0 0 0 6.5300 0.5900 0.2100 H 0 0 0 0 0 0 7.5700 -0.4500 1.2200 H 0 0 0 0 0 0 3.9300 -0.8700 -2.4300 H 0 0 0 0 0 0 5.4700 -0.1200 -2.9300 H 0 0 0 0 0 0 4.1200 0.9200 -2.3800 H 0 0 0 0 0 0 2.4900 0.1600 -1.5100 H 0 0 0 0 0 0 -0.8400 0.5200 -1.4100 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 9 1 0 3 4 2 0 4 5 1 0 5 6 1 0 5 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 7 12 1 0 12 25 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 24 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 20 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 27 1 1 0 28 1 1 0 29 1 1 0 30 4 1 0 31 8 1 0 32 11 1 0 33 11 1 0 34 11 1 0 35 13 1 0 36 14 1 0 37 16 1 0 38 19 1 0 39 19 1 0 40 19 1 0 41 22 1 0 42 22 1 0 43 22 1 0 44 23 1 0 45 26 1 0 M END $$$$