KEGG:C01042 N-Acetyl-L-aspartate ISISHOST03240423032D 1 1.00000 0.00000 986 12 11 0 1 0 999 V2000 0.0586 0.3448 0.0000 C 0 0 2 0 0 0 0 0 0 -0.6069 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 0.0586 -0.4690 0.0000 N 0 0 0 0 0 0 0 0 0 0.7276 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4759 0.1069 0.0000 C 0 0 0 0 0 0 0 0 0 0.7103 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 1.3690 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0.7276 1.4138 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4759 -0.5931 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1621 0.4448 0.0000 O 0 0 0 0 0 0 0 0 0 1.3586 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0.7103 -1.5931 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 1 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 2 0 0 0 5 9 1 0 0 0 5 10 2 0 0 0 6 11 1 0 0 0 6 12 2 0 0 0 M END