TDT2MOL CC1CC2=C(C(=O)O1)C3(C)CC(=O)OC3O2 28 30 0 0 0 0 0 -3.8800 0.4400 0.2200 C 0 0 0 3 0 0 -2.3700 0.3200 0.4500 C 0 0 0 1 0 0 -1.8400 -0.7300 -0.5200 C 0 0 0 2 0 0 -0.3500 -0.6900 -0.5800 C 0 0 0 0 0 0 0.2700 0.3700 0.0700 C 0 0 0 0 0 0 -0.5400 1.3400 0.7300 C 0 0 0 0 0 0 -0.6900 2.1600 1.6000 O 0 0 0 0 0 0 -1.8200 1.4700 0.0600 O 0 0 0 0 0 0 1.7500 0.2000 -0.1200 C 0 0 0 0 0 0 2.4100 1.4200 -0.6000 C 0 0 0 3 0 0 2.4000 -0.4400 1.1100 C 0 0 0 2 0 0 2.2400 -1.8500 0.6200 C 0 0 0 0 0 0 1.7300 -2.8600 0.8500 O 0 0 0 0 0 0 2.7200 -1.8600 -0.7100 O 0 0 0 0 0 0 1.7600 -0.9900 -1.1200 C 0 0 0 1 0 0 0.5100 -1.5300 -1.1700 O 0 0 0 0 0 0 -4.2700 1.2400 0.8700 H 0 0 0 0 0 0 -4.3700 -0.5100 0.4600 H 0 0 0 0 0 0 -4.0900 0.6900 -0.8300 H 0 0 0 0 0 0 -2.2600 -0.0200 1.4800 H 0 0 0 0 0 0 -2.2100 -0.5200 -1.5500 H 0 0 0 0 0 0 -2.1900 -1.7300 -0.2300 H 0 0 0 0 0 0 3.5000 1.3000 -0.6000 H 0 0 0 0 0 0 2.0900 1.6300 -1.6400 H 0 0 0 0 0 0 2.1400 2.2800 0.0400 H 0 0 0 0 0 0 3.4700 -0.2000 1.1800 H 0 0 0 0 0 0 1.8800 -0.2700 2.0400 H 0 0 0 0 0 0 2.0200 -0.6700 -2.1200 H 0 0 0 0 0 0 1 2 1 0 2 8 1 0 2 3 1 0 3 4 1 0 4 16 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 15 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 17 1 1 0 18 1 1 0 19 1 1 0 20 2 1 0 21 3 1 0 22 3 1 0 23 10 1 0 24 10 1 0 25 10 1 0 26 11 1 0 27 11 1 0 28 15 1 0 M END $$$$