TDT2MOL COc1cc2C(=O)c3c([nH]c4cc(OC)c(OC)cc34)C(=O)c2cc1O 41 44 0 0 0 0 0 5.1600 -2.9800 -0.0200 C 0 0 0 3 0 0 5.7200 -1.7600 -0.0300 O 0 0 0 0 0 0 4.7500 -0.7600 -0.0200 C 0 0 0 0 0 0 3.3900 -1.0700 0.0000 C 0 0 0 1 0 0 2.4200 -0.0500 0.0200 C 0 0 0 0 0 0 0.9700 -0.4200 0.0400 C 0 0 0 0 0 0 0.6100 -1.6200 0.0700 O 0 0 0 0 0 0 -0.0500 0.6800 0.0200 C 0 0 0 0 0 0 0.3700 2.0300 0.0200 C 0 0 0 0 0 0 -0.7800 2.8300 0.0000 N 0 0 0 1 0 0 -1.8800 1.9800 0.0000 C 0 0 0 0 0 0 -3.2400 2.2600 -0.0100 C 0 0 0 1 0 0 -4.1700 1.2000 -0.0100 C 0 0 0 0 0 0 -5.5300 1.5200 -0.0200 O 0 0 0 0 0 0 -6.3000 0.4300 -0.0200 C 0 0 0 3 0 0 -3.7100 -0.1200 0.0000 C 0 0 0 0 0 0 -4.6400 -1.1700 0.0100 O 0 0 0 0 0 0 -4.0300 -2.3700 0.0200 C 0 0 0 3 0 0 -2.3400 -0.3900 0.0200 C 0 0 0 1 0 0 -1.4300 0.6600 0.0100 C 0 0 0 0 0 0 1.8200 2.4000 0.0200 C 0 0 0 0 0 0 2.1800 3.6000 0.0400 O 0 0 0 0 0 0 2.8300 1.2900 0.0100 C 0 0 0 0 0 0 4.1900 1.6100 -0.0100 C 0 0 0 1 0 0 5.1500 0.5900 -0.0300 C 0 0 0 0 0 0 6.5100 0.9100 -0.0500 O 0 0 0 1 0 0 4.5300 -3.1100 -0.9100 H 0 0 0 0 0 0 5.9500 -3.7400 -0.0300 H 0 0 0 0 0 0 4.5500 -3.1000 0.8900 H 0 0 0 0 0 0 3.0500 -2.1200 0.0100 H 0 0 0 0 0 0 -0.8000 3.8300 -0.0100 H 0 0 0 0 0 0 -3.6100 3.3000 -0.0200 H 0 0 0 0 0 0 -6.1200 -0.1700 0.8900 H 0 0 0 0 0 0 -6.1000 -0.1800 -0.9100 H 0 0 0 0 0 0 -7.3600 0.7400 -0.0300 H 0 0 0 0 0 0 -4.8000 -3.1600 0.0200 H 0 0 0 0 0 0 -3.4100 -2.4900 -0.8700 H 0 0 0 0 0 0 -3.4200 -2.4700 0.9300 H 0 0 0 0 0 0 -1.9800 -1.4300 0.0300 H 0 0 0 0 0 0 4.5100 2.6600 -0.0200 H 0 0 0 0 0 0 7.0300 0.1200 -0.0500 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 25 1 0 3 4 2 0 4 5 1 0 5 23 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 20 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 20 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 2 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 2 0 9 21 1 0 21 22 2 0 21 23 1 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 10 1 0 32 12 1 0 33 15 1 0 34 15 1 0 35 15 1 0 36 18 1 0 37 18 1 0 38 18 1 0 39 19 1 0 40 24 1 0 41 26 1 0 M END $$$$