KEGG:C01262 beta-Alanyl-N(pai)-methyl-L-histidine ISISHOST03240423042D 1 1.00000 0.00000 1185 17 17 0 1 0 999 V2000 1.3724 0.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0.6586 0.4414 0.0000 C 0 0 0 0 0 0 0 0 0 1.9828 0.6517 0.0000 N 0 0 3 0 0 0 0 0 0 1.6069 -0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0.0103 0.0655 0.0000 C 0 0 2 0 0 0 0 0 0 2.5862 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 1.9759 1.5345 0.0000 C 0 0 0 0 0 0 0 0 0 2.3586 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 -0.9069 0.4310 0.0000 N 0 0 0 0 0 0 0 0 0 0.0103 -0.6862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5552 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0.6586 -1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6414 -1.0621 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2069 0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5552 -0.6931 0.0000 O 0 0 0 0 0 0 0 0 0 -2.8552 0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5034 0.4310 0.0000 N 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 1 0 0 9 11 1 0 0 0 10 12 1 0 0 0 10 13 2 0 0 0 11 14 1 0 0 0 11 15 2 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 6 8 2 0 0 0 M END