TDT2MOL O=C(C=CC1OC1c2ccccc2)N3C(COC3=O)c4ccccc4 42 45 0 0 0 0 0 0.4400 -1.2800 -0.3600 O 0 0 0 0 0 0 -0.6200 -0.8800 0.1900 C 0 0 0 0 0 0 -0.5400 0.3500 1.0500 C 0 0 0 1 0 0 0.6600 0.9700 1.1800 C 0 0 0 1 0 0 1.8500 0.4300 0.5000 C 0 0 0 1 0 0 2.2700 -0.7400 1.0000 O 0 0 0 0 0 0 3.0700 0.3100 1.2500 C 0 0 0 1 0 0 4.3400 0.2800 0.5100 C 0 0 0 0 0 0 5.4400 -0.4400 1.0100 C 0 0 0 1 0 0 6.6400 -0.4700 0.3100 C 0 0 0 1 0 0 6.7700 0.2200 -0.9100 C 0 0 0 1 0 0 5.6800 0.9300 -1.4200 C 0 0 0 1 0 0 4.4700 0.9600 -0.7100 C 0 0 0 1 0 0 -1.8400 -1.5700 0.0200 N 0 0 0 0 0 0 -3.1300 -1.1900 0.6700 C 0 0 0 1 0 0 -3.9200 -2.4400 0.2800 C 0 0 0 2 0 0 -3.5900 -2.6300 -0.9700 O 0 0 0 0 0 0 -2.1400 -2.7600 -0.6900 C 0 0 0 0 0 0 -1.9800 -3.7100 -1.2100 O 0 0 0 0 0 0 -3.6400 0.0400 0.0300 C 0 0 0 0 0 0 -3.7700 1.2300 0.7600 C 0 0 0 1 0 0 -4.2500 2.3900 0.1500 C 0 0 0 1 0 0 -4.6200 2.3700 -1.2000 C 0 0 0 1 0 0 -4.5000 1.1800 -1.9400 C 0 0 0 1 0 0 -4.0100 0.0200 -1.3300 C 0 0 0 1 0 0 -1.4300 0.7500 1.5500 H 0 0 0 0 0 0 0.7200 1.8800 1.8100 H 0 0 0 0 0 0 1.8900 0.4900 -0.5700 H 0 0 0 0 0 0 3.0800 0.6300 2.2700 H 0 0 0 0 0 0 5.3400 -0.9700 1.9700 H 0 0 0 0 0 0 7.5000 -1.0300 0.7100 H 0 0 0 0 0 0 7.7200 0.1900 -1.4600 H 0 0 0 0 0 0 5.7700 1.4700 -2.3700 H 0 0 0 0 0 0 3.6100 1.5200 -1.1100 H 0 0 0 0 0 0 -2.9800 -1.0900 1.7400 H 0 0 0 0 0 0 -3.7400 -3.2700 0.9800 H 0 0 0 0 0 0 -5.0000 -2.2200 0.3100 H 0 0 0 0 0 0 -3.4800 1.2400 1.8200 H 0 0 0 0 0 0 -4.3500 3.3100 0.7400 H 0 0 0 0 0 0 -5.0100 3.2800 -1.6800 H 0 0 0 0 0 0 -4.7900 1.1700 -3.0000 H 0 0 0 0 0 0 -3.9200 -0.9000 -1.9100 H 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 7 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 13 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 2 14 1 0 14 18 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 15 20 1 0 20 25 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 26 3 1 0 27 4 1 0 28 5 1 0 29 7 1 0 30 9 1 0 31 10 1 0 32 11 1 0 33 12 1 0 34 13 1 0 35 15 1 0 36 16 1 0 37 16 1 0 38 21 1 0 39 22 1 0 40 23 1 0 41 24 1 0 42 25 1 0 M END $$$$