KEGG:C02335 beta-Alanyl-CoA ISISHOST03240423062D 1 1.00000 0.00000 2109 53 55 0 1 0 999 V2000 0.8552 2.7379 0.0000 N 0 0 3 0 0 0 0 0 0 0.5448 1.4345 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4552 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0.8586 3.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0.3172 0.7276 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0759 1.8828 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4552 3.4966 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1138 2.3552 0.0000 N 0 0 0 0 0 0 0 0 0 0.2000 3.8759 0.0000 N 0 0 0 0 0 0 0 0 0 -0.4483 0.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0.7586 0.1241 0.0000 O 0 0 0 0 0 0 0 0 0 -0.6862 1.4448 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1138 3.8690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7621 2.7379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8310 0.1931 0.0000 O 0 0 0 0 0 0 0 0 0 -1.3862 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7621 3.4966 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1138 4.6207 0.0000 N 0 0 0 0 0 0 0 0 0 -1.6310 0.1966 0.0000 P 0 0 3 0 0 0 0 0 0 -2.3759 1.1655 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5724 0.9103 0.0000 O 0 0 0 0 0 0 0 0 0 -2.4345 0.2034 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6345 -0.5586 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6103 1.1655 0.0000 P 0 0 3 0 0 0 0 0 0 -3.6103 -0.4207 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6034 1.9241 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3276 1.1621 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6069 -1.9483 0.0000 P 0 0 3 0 0 0 0 0 0 -2.8241 -1.9345 0.0000 O 0 0 0 0 0 0 0 0 0 -3.6207 -2.8379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.3586 -1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1793 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5276 -1.9345 0.0000 C 0 0 3 0 0 0 0 0 0 -0.8793 -1.5621 0.0000 C 0 0 3 0 0 0 0 0 0 -1.5379 -2.6034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5448 -1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2310 -1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8793 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 0.4207 -1.5586 0.0000 N 0 0 0 0 0 0 0 0 0 -0.2310 -2.6862 0.0000 O 0 0 0 0 0 0 0 0 0 1.0690 -1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 1.7172 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 2.3690 -1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 3.0172 -1.5586 0.0000 N 0 0 0 0 0 0 0 0 0 2.3690 -2.6862 0.0000 O 0 0 0 0 0 0 0 0 0 3.6690 -1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 4.3172 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 4.9655 -1.9345 0.0000 S 0 0 0 0 0 0 0 0 0 5.6138 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 6.2621 -1.9345 0.0000 C 0 0 0 0 0 0 0 0 0 5.6172 -0.8103 0.0000 O 0 0 0 0 0 0 0 0 0 6.9138 -1.5586 0.0000 C 0 0 0 0 0 0 0 0 0 7.5621 -1.9345 0.0000 N 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 3 7 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 0 0 0 5 11 1 6 0 0 6 12 1 0 0 0 7 13 1 0 0 0 8 14 2 0 0 0 10 15 1 6 0 0 12 16 1 1 0 0 13 17 2 0 0 0 13 18 1 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 19 21 1 0 0 0 19 22 1 0 0 0 19 23 2 0 0 0 20 24 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 24 27 2 0 0 0 25 28 1 0 0 0 28 29 1 0 0 0 28 30 1 0 0 0 28 31 2 0 0 0 29 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 33 36 1 0 0 0 34 37 1 0 0 0 34 38 1 0 0 0 37 39 1 0 0 0 37 40 2 0 0 0 39 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 43 45 2 0 0 0 44 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 49 51 2 0 0 0 50 52 1 0 0 0 52 53 1 0 0 0 7 9 1 0 0 0 10 12 1 0 0 0 14 17 1 0 0 0 M END