TDT2MOL COc1cc2C(=O)c3[nH]c4cc(*)c(*)cc4c3C(=O)c2cc1OCc1OCc1OC 36 39 0 0 0 0 0 -4.8200 -1.9500 -0.9200 C 0 0 0 3 0 0 -4.7400 -0.6700 -0.5200 O 0 0 0 0 0 0 -3.4100 -0.2900 -0.3400 C 0 0 0 0 0 0 -2.3600 -1.1800 -0.5600 C 0 0 0 1 0 0 -1.0300 -0.7800 -0.3700 C 0 0 0 0 0 0 0.0700 -1.7600 -0.6100 C 0 0 0 0 0 0 -0.1700 -2.9100 -1.0400 O 0 0 0 0 0 0 1.4800 -1.3200 -0.3400 C 0 0 0 0 0 0 2.6900 -2.0200 -0.4100 N 0 0 0 1 0 0 3.7000 -1.1400 -0.0500 C 0 0 0 0 0 0 5.0800 -1.3200 0.0400 C 0 0 0 1 0 0 5.8900 -0.2500 0.4400 C 0 0 0 0 0 0 7.2300 -0.4200 0.5400 R 0 0 0 0 0 0 5.3200 0.9900 0.7500 C 0 0 0 0 0 0 6.1000 2.0200 1.1400 R 0 0 0 0 0 0 3.9300 1.1700 0.6600 C 0 0 0 1 0 0 3.1300 0.1000 0.2600 C 0 0 0 0 0 0 1.7600 0.0000 0.0800 C 0 0 0 0 0 0 0.6600 1.0000 0.2600 C 0 0 0 0 0 0 0.9000 2.1800 0.5700 O 0 0 0 0 0 0 -0.7600 0.5300 0.0500 C 0 0 0 0 0 0 -1.8100 1.4300 0.2700 C 0 0 0 1 0 0 -3.1300 1.0300 0.0800 C 0 0 0 0 0 0 -4.1900 1.9100 0.2900 O 0 0 0 0 0 0 -3.7500 3.1200 0.6900 C 0 0 0 3 0 0 -5.8800 -2.2200 -1.0500 H 0 0 0 0 0 0 -4.3800 -2.6100 -0.1500 H 0 0 0 0 0 0 -4.2900 -2.0800 -1.8700 H 0 0 0 0 0 0 -2.5600 -2.2100 -0.8800 H 0 0 0 0 0 0 2.8000 -2.9700 -0.6800 H 0 0 0 0 0 0 5.5300 -2.3000 -0.2000 H 0 0 0 0 0 0 3.4900 2.1500 0.9000 H 0 0 0 0 0 0 -1.5800 2.4500 0.5900 H 0 0 0 0 0 0 -3.1900 3.0200 1.6300 H 0 0 0 0 0 0 -4.6100 3.7800 0.8500 H 0 0 0 0 0 0 -3.1000 3.5500 -0.0900 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 21 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 18 2 0 8 9 1 0 9 10 1 0 10 17 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 26 1 1 0 27 1 1 0 28 1 1 0 29 4 1 0 30 9 1 0 31 11 1 0 32 16 1 0 33 22 1 0 34 25 1 0 35 25 1 0 36 25 1 0 M END $$$$