TDT2MOL CCCCCC1CC(=O)C=C(*)N1C(=O)OC(C)(C)C(C)C 44 44 0 0 0 0 0 -5.5600 0.8400 0.2800 C 0 0 0 3 0 0 -4.2600 0.4100 0.8900 C 0 0 0 2 0 0 -3.7900 -0.8700 0.2400 C 0 0 0 2 0 0 -2.4800 -1.3100 0.8600 C 0 0 0 2 0 0 -1.3400 -0.4100 0.6000 C 0 0 0 2 0 0 -0.4100 -0.8800 -0.5300 C 0 0 0 1 0 0 -1.2000 -1.0500 -1.7700 C 0 0 0 2 0 0 -1.5400 0.2600 -2.4300 C 0 0 0 0 0 0 -2.6200 0.3800 -3.0400 O 0 0 0 0 0 0 -0.4900 1.3200 -2.4200 C 0 0 0 1 0 0 0.5800 1.1800 -1.6200 C 0 0 0 0 0 0 1.5900 2.1500 -1.6400 R 0 0 0 0 0 0 0.6700 0.0700 -0.6900 N 0 0 0 0 0 0 1.8500 -0.0700 0.1500 C 0 0 0 0 0 0 1.9400 -1.0000 0.9700 O 0 0 0 0 0 0 2.8600 0.8100 0.0500 O 0 0 0 0 0 0 4.0000 0.3500 0.6000 C 0 0 0 0 0 0 3.9000 0.3000 2.1000 C 0 0 0 3 0 0 5.0900 1.3400 0.2300 C 0 0 0 3 0 0 4.3800 -0.9900 0.0600 C 0 0 0 3 0 0 -5.4300 1.0100 -0.8000 H 0 0 0 0 0 0 -5.9100 1.7600 0.7600 H 0 0 0 0 0 0 -6.3100 0.0400 0.4300 H 0 0 0 0 0 0 -4.4000 0.2400 1.9700 H 0 0 0 0 0 0 -3.5200 1.2000 0.7400 H 0 0 0 0 0 0 -4.5700 -1.6300 0.3800 H 0 0 0 0 0 0 -3.6500 -0.6800 -0.8300 H 0 0 0 0 0 0 -2.2700 -2.3500 0.5100 H 0 0 0 0 0 0 -2.7000 -1.4500 1.9500 H 0 0 0 0 0 0 -0.6900 -0.2600 1.5000 H 0 0 0 0 0 0 -1.6600 0.6200 0.3200 H 0 0 0 0 0 0 0.0100 -1.8500 -0.2000 H 0 0 0 0 0 0 -2.1100 -1.6500 -1.6200 H 0 0 0 0 0 0 -0.5800 -1.6000 -2.5300 H 0 0 0 0 0 0 -0.5700 2.1800 -3.0900 H 0 0 0 0 0 0 4.8700 0.0000 2.5300 H 0 0 0 0 0 0 3.1400 -0.4200 2.4300 H 0 0 0 0 0 0 3.6300 1.3000 2.4800 H 0 0 0 0 0 0 6.0500 1.0000 0.6700 H 0 0 0 0 0 0 4.8500 2.3300 0.6300 H 0 0 0 0 0 0 5.2000 1.3900 -0.8600 H 0 0 0 0 0 0 3.6500 -1.7600 0.3300 H 0 0 0 0 0 0 4.4500 -0.9300 -1.0400 H 0 0 0 0 0 0 5.3600 -1.3000 0.4600 H 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 13 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 21 1 1 0 22 1 1 0 23 1 1 0 24 2 1 0 25 2 1 0 26 3 1 0 27 3 1 0 28 4 1 0 29 4 1 0 30 5 1 0 31 5 1 0 32 6 1 0 33 7 1 0 34 7 1 0 35 10 1 0 36 18 1 0 37 18 1 0 38 18 1 0 39 19 1 0 40 19 1 0 41 19 1 0 42 20 1 0 43 20 1 0 44 20 1 0 M END $$$$