TDT2MOL CC1=C(C)C(O)C(=O)C(=C1)CCC(=O)O 29 29 0 0 0 0 0 -2.3900 -0.0800 -2.0500 C 0 0 0 3 0 0 -1.4900 -0.1900 -0.8500 C 0 0 0 0 0 0 -1.9200 0.3100 0.3300 C 0 0 0 0 0 0 -3.2900 0.9500 0.3700 C 0 0 0 3 0 0 -1.1200 0.2700 1.5900 C 0 0 0 1 0 0 -0.9300 1.5300 2.0300 O 0 0 0 1 0 0 0.2100 -0.3900 1.4100 C 0 0 0 0 0 0 0.9800 -0.4900 2.4000 O 0 0 0 0 0 0 0.6600 -0.9300 0.0900 C 0 0 0 0 0 0 -0.1500 -0.8300 -0.9900 C 0 0 0 1 0 0 2.0100 -1.5800 -0.0400 C 0 0 0 2 0 0 3.0800 -0.6200 0.3800 C 0 0 0 2 0 0 3.0700 0.5800 -0.5100 C 0 0 0 0 0 0 2.2100 0.6800 -1.4200 O 0 0 0 0 0 0 3.9800 1.5600 -0.3400 O 0 0 0 1 0 0 -3.2500 0.5500 -1.8100 H 0 0 0 0 0 0 -2.7400 -1.0900 -2.3300 H 0 0 0 0 0 0 -1.8200 0.3600 -2.8900 H 0 0 0 0 0 0 -3.5100 1.2300 1.4100 H 0 0 0 0 0 0 -4.0300 0.2200 0.0100 H 0 0 0 0 0 0 -3.2900 1.8400 -0.2700 H 0 0 0 0 0 0 -1.6900 -0.2900 2.3600 H 0 0 0 0 0 0 -0.4400 2.0200 1.3800 H 0 0 0 0 0 0 0.1800 -1.2300 -1.9600 H 0 0 0 0 0 0 2.0400 -2.4700 0.6100 H 0 0 0 0 0 0 2.1700 -1.8800 -1.0800 H 0 0 0 0 0 0 2.9000 -0.3000 1.4200 H 0 0 0 0 0 0 4.0600 -1.1100 0.3200 H 0 0 0 0 0 0 4.4900 1.3800 0.4400 H 0 0 0 0 0 0 1 2 1 0 2 10 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 1 0 5 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 16 1 1 0 17 1 1 0 18 1 1 0 19 4 1 0 20 4 1 0 21 4 1 0 22 5 1 0 23 6 1 0 24 10 1 0 25 11 1 0 26 11 1 0 27 12 1 0 28 12 1 0 29 15 1 0 M END $$$$