TDT2MOL CC1=CCC2C(=O)C3C(=CCC(O)C3(C)CC(O)C1C2(C)C)C(O)O 55 57 0 0 0 0 0 0.2200 -2.4100 2.5200 C 0 0 0 3 0 0 0.6200 -1.0800 1.9400 C 0 0 0 0 0 0 1.7400 -1.0000 1.2000 C 0 0 0 1 0 0 2.2100 0.3000 0.5900 C 0 0 0 2 0 0 1.1700 1.3800 0.7100 C 0 0 0 1 0 0 0.1000 1.1700 -0.3500 C 0 0 0 0 0 0 -0.6800 2.0900 -0.6100 O 0 0 0 0 0 0 0.0600 -0.1500 -1.0400 C 0 0 0 1 0 0 0.5600 0.0000 -2.4500 C 0 0 0 0 0 0 0.0600 -0.7400 -3.4600 C 0 0 0 1 0 0 -1.0200 -1.7600 -3.2400 C 0 0 0 2 0 0 -1.2700 -2.0600 -1.8100 C 0 0 0 1 0 0 -0.3200 -2.8700 -1.2900 O 0 0 0 1 0 0 -1.3000 -0.7800 -1.0000 C 0 0 0 0 0 0 -2.3000 0.1600 -1.6100 C 0 0 0 3 0 0 -1.6800 -1.0700 0.4400 C 0 0 0 2 0 0 -1.5300 0.0900 1.3800 C 0 0 0 1 0 0 -2.6800 0.1900 2.1600 O 0 0 0 1 0 0 -0.2900 0.1200 2.2300 C 0 0 0 1 0 0 0.5500 1.3700 2.0800 C 0 0 0 0 0 0 1.6600 1.3400 3.1100 C 0 0 0 3 0 0 -0.2800 2.5900 2.3000 C 0 0 0 3 0 0 1.6300 1.0200 -2.7300 C 0 0 0 1 0 0 1.3500 2.1600 -2.0800 O 0 0 0 1 0 0 1.6900 1.2600 -4.0600 O 0 0 0 1 0 0 0.4300 -3.2000 1.7900 H 0 0 0 0 0 0 -0.8500 -2.3900 2.7500 H 0 0 0 0 0 0 0.8000 -2.5900 3.4400 H 0 0 0 0 0 0 2.3400 -1.9000 1.0300 H 0 0 0 0 0 0 2.5200 0.1300 -0.4500 H 0 0 0 0 0 0 3.1200 0.5900 1.1600 H 0 0 0 0 0 0 1.6300 2.3600 0.5000 H 0 0 0 0 0 0 0.7800 -0.8400 -0.5400 H 0 0 0 0 0 0 0.4600 -0.5900 -4.4800 H 0 0 0 0 0 0 -0.7500 -2.6800 -3.8000 H 0 0 0 0 0 0 -1.9300 -1.3400 -3.7200 H 0 0 0 0 0 0 -2.2400 -2.5800 -1.6800 H 0 0 0 0 0 0 -0.2700 -3.6700 -1.8100 H 0 0 0 0 0 0 -2.3500 1.1000 -1.0700 H 0 0 0 0 0 0 -3.3000 -0.3200 -1.6000 H 0 0 0 0 0 0 -2.0200 0.3600 -2.6600 H 0 0 0 0 0 0 -2.6900 -1.5200 0.4000 H 0 0 0 0 0 0 -1.0300 -1.9100 0.7900 H 0 0 0 0 0 0 -1.6300 1.0300 0.7800 H 0 0 0 0 0 0 -2.5600 0.8800 2.8000 H 0 0 0 0 0 0 -0.5200 -0.0200 3.3100 H 0 0 0 0 0 0 2.2700 0.4400 2.9600 H 0 0 0 0 0 0 2.2800 2.2400 2.9900 H 0 0 0 0 0 0 1.2200 1.3200 4.1200 H 0 0 0 0 0 0 0.3700 3.4900 2.3300 H 0 0 0 0 0 0 -1.0100 2.7500 1.5000 H 0 0 0 0 0 0 -0.8000 2.5200 3.2700 H 0 0 0 0 0 0 2.6000 0.6300 -2.3900 H 0 0 0 0 0 0 2.0200 2.8100 -2.2600 H 0 0 0 0 0 0 0.8500 1.5900 -4.3600 H 0 0 0 0 0 0 1 2 1 0 2 19 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 20 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 14 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 9 23 1 0 23 24 1 0 23 25 1 0 26 1 1 0 27 1 1 0 28 1 1 0 29 3 1 0 30 4 1 0 31 4 1 0 32 5 1 0 33 8 1 0 34 10 1 0 35 11 1 0 36 11 1 0 37 12 1 0 38 13 1 0 39 15 1 0 40 15 1 0 41 15 1 0 42 16 1 0 43 16 1 0 44 17 1 0 45 18 1 0 46 19 1 0 47 21 1 0 48 21 1 0 49 21 1 0 50 22 1 0 51 22 1 0 52 22 1 0 53 23 1 0 54 24 1 0 55 25 1 0 M END $$$$