Source: Brenda (C. Rea)^Converter: smi2mol (Daylight 4.6) SMI2MOL CC(=O)[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)OC(=O)CBr 31 34 0 0 0 0 1 V2000 3.4100 5.8200 0.0000 C 0 0 0 0 0 0 2.9000 4.9400 0.0000 C 0 0 0 0 0 0 3.9200 4.9400 0.0000 O 0 0 0 0 0 0 2.0200 4.4400 0.0000 C 0 0 1 0 0 0 1.9800 5.4500 0.0000 C 0 0 0 0 0 0 0.9900 5.6600 0.0000 C 0 0 0 0 0 0 0.4800 4.7900 0.0000 C 0 0 1 0 0 0 -0.5100 4.5900 0.0000 C 0 0 2 0 0 0 -1.1900 5.3500 0.0000 C 0 0 0 0 0 0 -2.1800 5.1500 0.0000 C 0 0 0 0 0 0 -2.5000 4.1900 0.0000 C 0 0 0 0 0 0 -3.4900 3.9900 0.0000 C 0 0 0 0 0 0 -3.8100 3.0200 0.0000 C 0 0 0 0 0 0 -4.8000 2.8100 0.0000 O 0 0 0 0 0 0 -3.1400 2.2600 0.0000 C 0 0 0 0 0 0 -2.1600 2.4600 0.0000 C 0 0 0 0 0 0 -1.8500 3.4200 0.0000 C 0 0 1 0 0 0 -1.1600 2.6700 0.0000 C 0 0 0 0 0 0 -0.8700 3.6200 0.0000 C 0 0 1 0 0 0 -0.2000 2.8600 0.0000 C 0 0 0 0 0 0 0.7800 3.0600 0.0000 C 0 0 0 0 0 0 1.0900 4.0200 0.0000 C 0 0 2 0 0 0 1.9000 3.4000 0.0000 C 0 0 0 0 0 0 2.9000 3.9300 0.0000 O 0 0 0 0 0 0 3.7800 3.4200 0.0000 C 0 0 0 0 0 0 4.8000 3.4200 0.0000 O 0 0 0 0 0 0 3.7700 2.4100 0.0000 C 0 0 0 0 0 0 4.2700 1.5300 0.0000 Br 0 0 0 0 0 0 1.4730 4.8595 0.0000 H 0 0 0 0 0 0 0.1543 3.8130 0.0000 H 0 0 0 0 0 0 0.1367 3.8069 0.0000 H 0 0 0 0 0 0 1 2 1 0 2 3 2 0 4 2 1 6 22 4 1 1 4 5 1 1 5 6 1 0 7 6 1 6 22 7 1 6 8 7 1 1 19 8 1 6 8 9 1 6 9 10 1 0 10 11 1 0 17 11 1 6 11 12 2 3 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 17 16 1 1 17 18 1 6 19 17 1 1 19 20 1 6 20 21 1 0 22 21 1 1 22 23 1 6 4 24 1 1 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 7 29 1 1 8 30 1 6 19 31 1 1 M END