TDT2MOL OC(=O)c1cccc2c3cccc(C(=O)O)c3oc12 27 29 0 0 0 0 0 -4.1000 -0.6800 2.5200 O 0 0 0 1 0 0 -2.8000 -0.5500 2.1700 C 0 0 0 0 0 0 -1.9100 -0.6600 3.0400 O 0 0 0 0 0 0 -2.4400 -0.2700 0.7500 C 0 0 0 0 0 0 -3.4400 -0.1500 -0.2300 C 0 0 0 1 0 0 -3.1000 0.1100 -1.5600 C 0 0 0 1 0 0 -1.7500 0.2500 -1.9300 C 0 0 0 1 0 0 -0.7600 0.1300 -0.9600 C 0 0 0 0 0 0 0.6200 0.2200 -1.0400 C 0 0 0 0 0 0 1.4700 0.4700 -2.1100 C 0 0 0 1 0 0 2.8500 0.5000 -1.9000 C 0 0 0 1 0 0 3.3700 0.3000 -0.6100 C 0 0 0 1 0 0 2.5100 0.0600 0.4700 C 0 0 0 0 0 0 3.0700 -0.1600 1.8400 C 0 0 0 0 0 0 2.3100 -0.3800 2.8000 O 0 0 0 0 0 0 4.4100 -0.1100 2.0300 O 0 0 0 1 0 0 1.1400 0.0200 0.2400 C 0 0 0 0 0 0 0.0700 -0.2000 1.1200 O 0 0 0 0 0 0 -1.1000 -0.1300 0.3700 C 0 0 0 0 0 0 -4.3100 -1.6100 2.6200 H 0 0 0 0 0 0 -4.5000 -0.2600 0.0600 H 0 0 0 0 0 0 -3.8900 0.2100 -2.3200 H 0 0 0 0 0 0 -1.5000 0.4600 -2.9800 H 0 0 0 0 0 0 1.0700 0.6300 -3.1300 H 0 0 0 0 0 0 3.5400 0.6900 -2.7400 H 0 0 0 0 0 0 4.4600 0.3300 -0.4500 H 0 0 0 0 0 0 4.7100 0.7800 1.9400 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 19 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 19 2 0 8 9 1 0 9 17 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 2 0 17 18 1 0 18 19 1 0 20 1 1 0 21 5 1 0 22 6 1 0 23 7 1 0 24 10 1 0 25 11 1 0 26 12 1 0 27 16 1 0 M END $$$$