KEGG:C01073 N-Acetyl-beta-alanine ISISHOST03240423032D 1 1.00000 0.00000 1013 9 8 0 0 0 999 V2000 -0.6069 1.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6103 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0.0621 1.5241 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2414 1.5828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0069 0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0103 -0.8103 0.0000 N 0 0 0 0 0 0 0 0 0 0.5931 -1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0.5897 -1.9517 0.0000 C 0 0 0 0 0 0 0 0 0 1.2345 -0.7448 0.0000 O 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 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 7 9 2 0 0 0 M END