KEGG:C00512 S-Benzoate coenzyme A ISISHOST03240423022D 1 1.00000 0.00000 494 56 59 0 1 0 999 V2000 0.4862 2.8862 0.0000 N 0 0 3 0 0 0 0 0 0 0.1759 1.5828 0.0000 C 0 0 2 0 0 0 0 0 0 -0.8241 2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0.4862 3.6448 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4448 2.0310 0.0000 O 0 0 0 0 0 0 0 0 0 -0.0517 0.8793 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8241 3.6448 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4828 2.5035 0.0000 N 0 0 0 0 0 0 0 0 0 -0.1690 4.0276 0.0000 N 0 0 0 0 0 0 0 0 0 -1.0552 1.5966 0.0000 C 0 0 1 0 0 0 0 0 0 -0.8172 0.8793 0.0000 C 0 0 1 0 0 0 0 0 0 0.3897 0.2724 0.0000 O 0 0 0 0 0 0 0 0 0 -1.4828 4.0207 0.0000 C 0 0 0 0 0 0 0 0 0 -2.1310 2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7586 1.8172 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2034 0.3414 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1310 3.6448 0.0000 N 0 0 0 0 0 0 0 0 0 -1.4862 4.7690 0.0000 N 0 0 0 0 0 0 0 0 0 -2.7828 1.3310 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0000 0.3483 0.0000 P 0 0 3 0 0 0 0 0 0 -3.9793 1.3172 0.0000 P 0 0 3 0 0 0 0 0 0 -1.9414 1.0586 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7345 0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0069 -0.4069 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9828 -0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9759 2.0759 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7345 1.3310 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9759 -1.8000 0.0000 P 0 0 3 0 0 0 0 0 0 -3.1966 -1.7828 0.0000 O 0 0 0 0 0 0 0 0 0 -3.9897 -2.6862 0.0000 O 0 0 0 0 0 0 0 0 0 -4.7310 -1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.5483 -1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9000 -1.7862 0.0000 C 0 0 3 0 0 0 0 0 0 -1.2483 -1.4103 0.0000 C 0 0 3 0 0 0 0 0 0 -1.9069 -2.4517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9138 -1.0103 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6000 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2483 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 0.0483 -1.4103 0.0000 N 0 0 0 0 0 0 0 0 0 -0.6000 -2.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0.7000 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 1.3483 -1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 1.9966 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 2.6483 -1.4103 0.0000 N 0 0 0 0 0 0 0 0 0 1.9966 -2.5345 0.0000 O 0 0 0 0 0 0 0 0 0 3.2966 -1.7862 0.0000 C 0 0 0 0 0 0 0 0 0 3.9448 -1.4103 0.0000 C 0 0 0 0 0 0 0 0 0 4.5931 -1.7862 0.0000 S 0 0 0 0 0 0 0 0 0 5.2414 -1.4069 0.0000 C 0 0 0 0 0 0 0 0 0 5.8931 -1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 5.2414 -0.6586 0.0000 O 0 0 0 0 0 0 0 0 0 5.8931 -2.5379 0.0000 C 0 0 0 0 0 0 0 0 0 6.5414 -1.3966 0.0000 C 0 0 0 0 0 0 0 0 0 6.5414 -2.9138 0.0000 C 0 0 0 0 0 0 0 0 0 7.2000 -1.7793 0.0000 C 0 0 0 0 0 0 0 0 0 7.2000 -2.5379 0.0000 C 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 6 11 1 0 0 0 6 12 1 6 0 0 7 13 1 0 0 0 8 14 2 0 0 0 10 15 1 1 0 0 11 16 1 6 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 20 22 1 0 0 0 20 23 1 0 0 0 20 24 2 0 0 0 21 25 1 0 0 0 21 26 1 0 0 0 21 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 50 53 2 0 0 0 52 54 2 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 7 9 1 0 0 0 10 11 1 0 0 0 14 17 1 0 0 0 55 56 2 0 0 0 M END