KEGG:C07545 alpha-Ergocryptine ISISHOST03240423172D 1 1.00000 0.00000 6591 44 50 0 0 0 999 V2000 1.8310 1.1862 0.0000 C 0 0 3 0 0 0 0 0 0 1.8276 0.4138 0.0000 N 0 0 3 0 0 0 0 0 0 2.5035 1.5724 0.0000 C 0 0 1 0 0 0 0 0 0 1.1586 1.5724 0.0000 O 0 0 0 0 0 0 0 0 0 1.8276 1.9621 0.0000 O 0 0 0 0 0 0 0 0 0 2.4966 0.0241 0.0000 C 0 0 3 0 0 0 0 0 0 0.4862 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 3.1793 1.1828 0.0000 N 0 0 3 0 0 0 0 0 0 2.5035 2.3483 0.0000 C 0 0 0 0 0 0 0 0 0 0.4862 1.1862 0.0000 C 0 0 3 0 0 0 0 0 0 3.1759 0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 2.4931 -0.7517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0690 -0.1414 0.0000 O 0 0 0 0 0 0 0 0 0 3.8483 1.5655 0.0000 C 0 0 0 0 0 0 0 0 0 3.8517 2.3448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5000 1.6172 0.0000 N 0 0 0 0 0 0 0 0 0 0.4828 2.0172 0.0000 C 0 0 3 0 0 0 0 0 0 3.8483 0.0172 0.0000 O 0 0 0 0 0 0 0 0 0 1.8172 -1.1379 0.0000 C 0 0 3 0 0 0 0 0 0 -1.3862 1.1966 0.0000 C 0 0 0 0 0 0 0 0 0 1.1966 2.4345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2414 2.4276 0.0000 C 0 0 0 0 0 0 0 0 0 1.8138 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 1.1517 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3862 0.4172 0.0000 C 0 0 2 0 0 0 0 0 0 -2.0552 1.5828 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0586 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7138 0.0345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0586 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7138 -0.7448 0.0000 N 0 0 3 0 0 0 0 0 0 -2.7345 -1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3862 -1.1345 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0379 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7345 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4069 -0.7414 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3931 -1.9207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0621 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4103 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0828 -1.1310 0.0000 C 0 0 0 0 0 0 0 0 0 -2.0621 -3.0793 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4103 -3.0793 0.0000 N 0 0 0 0 0 0 0 0 0 -4.0828 -1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 2.4862 0.7931 0.0000 H 0 0 0 0 0 0 0 0 0 -0.6552 -1.6069 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0 3 8 1 0 0 0 3 9 1 0 0 0 4 10 1 0 0 0 6 11 1 0 0 0 6 12 1 0 0 0 7 13 2 0 0 0 8 14 1 0 0 0 9 15 1 0 0 0 10 16 1 0 0 0 10 17 1 0 0 0 11 18 2 0 0 0 12 19 1 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 17 22 1 0 0 0 19 23 1 0 0 0 19 24 1 0 0 0 25 20 1 1 0 0 20 26 2 0 0 0 25 27 1 0 0 0 25 28 1 0 0 0 27 29 2 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 31 34 1 0 0 0 31 35 2 0 0 0 32 36 1 0 0 0 34 37 1 0 0 0 34 38 2 0 0 0 35 39 1 0 0 0 37 40 2 0 0 0 38 41 1 0 0 0 38 42 1 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 14 15 1 0 0 0 30 32 1 0 0 0 36 37 1 0 0 0 39 42 2 0 0 0 40 41 1 0 0 0 3 43 1 1 0 0 32 44 1 1 0 0 M END