KEGG:C07544 Ergotamine ISISHOST03240423172D 1 1.00000 0.00000 6590 45 52 0 0 0 999 V2000 1.4414 1.4345 0.0000 C 0 0 3 0 0 0 0 0 0 1.4379 0.6552 0.0000 N 0 0 3 0 0 0 0 0 0 2.1172 1.8241 0.0000 C 0 0 1 0 0 0 0 0 0 0.7586 1.8241 0.0000 O 0 0 0 0 0 0 0 0 0 1.4345 2.2138 0.0000 O 0 0 0 0 0 0 0 0 0 2.1103 0.2621 0.0000 C 0 0 3 0 0 0 0 0 0 0.0862 0.6517 0.0000 C 0 0 0 0 0 0 0 0 0 2.7897 1.4310 0.0000 N 0 0 3 0 0 0 0 0 0 2.1172 2.6034 0.0000 C 0 0 0 0 0 0 0 0 0 0.0862 1.4345 0.0000 C 0 0 3 0 0 0 0 0 0 2.7862 0.6483 0.0000 C 0 0 0 0 0 0 0 0 0 2.1069 -0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4724 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0 3.4655 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 3.4690 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9103 1.8690 0.0000 N 0 0 0 0 0 0 0 0 0 0.0828 2.2690 0.0000 C 0 0 0 0 0 0 0 0 0 3.4655 0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 2.7759 -0.9103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7931 1.4448 0.0000 C 0 0 0 0 0 0 0 0 0 2.7690 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 3.4517 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7931 0.6586 0.0000 C 0 0 2 0 0 0 0 0 0 -2.4724 1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 3.4414 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 4.1207 -0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4759 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1207 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 4.1172 -1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4759 -0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1207 -0.5103 0.0000 N 0 0 3 0 0 0 0 0 0 -3.1517 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7931 -0.9034 0.0000 C 0 0 2 0 0 0 0 0 0 -0.4414 -0.9034 0.0000 C 0 0 0 0 0 0 0 0 0 -3.1517 -1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8276 -0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8000 -1.6897 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 -2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8310 -2.0724 0.0000 C 0 0 0 0 0 0 0 0 0 -4.5034 -0.8966 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 -2.8517 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8310 -2.8517 0.0000 N 0 0 0 0 0 0 0 0 0 -4.5034 -1.6828 0.0000 C 0 0 0 0 0 0 0 0 0 2.1000 1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 -1.0621 -1.3793 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 19 21 2 0 0 0 19 22 1 0 0 0 23 20 1 1 0 0 20 24 2 0 0 0 21 25 1 0 0 0 22 26 2 0 0 0 23 27 1 0 0 0 23 28 1 0 0 0 25 29 2 0 0 0 27 30 2 0 0 0 28 31 1 0 0 0 30 32 1 0 0 0 30 33 1 0 0 0 31 34 1 0 0 0 32 35 1 0 0 0 32 36 2 0 0 0 33 37 1 0 0 0 35 38 1 0 0 0 35 39 2 0 0 0 36 40 1 0 0 0 38 41 2 0 0 0 39 42 1 0 0 0 39 43 1 0 0 0 7 10 1 0 0 0 8 11 1 0 0 0 14 15 1 0 0 0 26 29 1 0 0 0 31 33 1 0 0 0 37 38 1 0 0 0 40 43 2 0 0 0 41 42 1 0 0 0 3 44 1 1 0 0 33 45 1 1 0 0 M END