TDT2MOL CC1C(C2CC1C=C2)C(=O)N3CCOC3=O 31 33 0 0 0 0 0 -2.7000 -1.2100 -1.2600 C 0 0 0 3 0 0 -1.8700 -0.0300 -0.8300 C 0 0 0 1 0 0 -0.5700 -0.4100 -0.1600 C 0 0 0 1 0 0 -0.7100 0.1200 1.2700 C 0 0 0 1 0 0 -2.2100 -0.1100 1.5200 C 0 0 0 2 0 0 -2.6400 0.7000 0.2800 C 0 0 0 1 0 0 -1.8700 2.0100 0.5400 C 0 0 0 1 0 0 -0.6900 1.6500 1.1400 C 0 0 0 1 0 0 0.6600 0.1400 -0.8200 C 0 0 0 0 0 0 0.5000 0.9700 -1.7500 O 0 0 0 0 0 0 1.9500 -0.2500 -0.4000 N 0 0 0 0 0 0 3.1900 0.3100 -1.0300 C 0 0 0 2 0 0 4.1900 -0.3300 -0.0600 C 0 0 0 2 0 0 3.7400 -1.5400 0.0900 O 0 0 0 0 0 0 2.4200 -1.1100 0.6200 C 0 0 0 0 0 0 2.4400 -1.7100 1.5500 O 0 0 0 0 0 0 -2.1700 -1.7500 -2.0600 H 0 0 0 0 0 0 -3.6700 -0.8700 -1.6200 H 0 0 0 0 0 0 -2.8300 -1.8900 -0.4000 H 0 0 0 0 0 0 -1.7500 0.6400 -1.6900 H 0 0 0 0 0 0 -0.4200 -1.5000 -0.0700 H 0 0 0 0 0 0 -0.0600 -0.2700 2.0100 H 0 0 0 0 0 0 -2.5000 -1.1600 1.4700 H 0 0 0 0 0 0 -2.5500 0.3300 2.4500 H 0 0 0 0 0 0 -3.6900 0.8100 0.1600 H 0 0 0 0 0 0 -2.2100 2.9900 0.2900 H 0 0 0 0 0 0 0.0900 2.3000 1.4700 H 0 0 0 0 0 0 3.1700 1.3900 -0.9800 H 0 0 0 0 0 0 3.2700 -0.1000 -2.0200 H 0 0 0 0 0 0 5.1800 -0.4000 -0.5600 H 0 0 0 0 0 0 4.3300 0.2800 0.8400 H 0 0 0 0 0 0 1 2 1 0 2 6 1 0 2 3 1 0 3 4 1 0 4 8 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 3 9 1 0 9 10 2 0 9 11 1 0 11 15 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 17 1 1 0 18 1 1 0 19 1 1 0 20 2 1 0 21 3 1 0 22 4 1 0 23 5 1 0 24 5 1 0 25 6 1 0 26 7 1 0 27 8 1 0 28 12 1 0 29 12 1 0 30 13 1 0 31 13 1 0 M END $$$$