KEGG:C02792 3-Fluorobenzoyl-CoA ISISHOST03240423072D 1 1.00000 0.00000 2474 57 60 0 1 0 999 V2000 0.0690 2.3724 0.0000 N 0 0 3 0 0 0 0 0 0 -0.6310 2.1862 0.0000 C 0 0 2 0 0 0 0 0 0 0.6345 1.9241 0.0000 C 0 0 0 0 0 0 0 0 0 0.3310 3.0483 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2172 2.6172 0.0000 O 0 0 0 0 0 0 0 0 0 -0.8483 1.5138 0.0000 C 0 0 1 0 0 0 0 0 0 1.2483 2.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0.6759 1.2034 0.0000 N 0 0 0 0 0 0 0 0 0 1.0517 3.0172 0.0000 N 0 0 0 0 0 0 0 0 0 -1.8035 2.1966 0.0000 C 0 0 1 0 0 0 0 0 0 -1.5793 1.5138 0.0000 C 0 0 1 0 0 0 0 0 0 -0.4172 0.9345 0.0000 O 0 0 0 0 0 0 0 0 0 1.8931 1.9966 0.0000 C 0 0 0 0 0 0 0 0 0 1.3241 0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4793 2.4103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9379 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 1.9345 1.2724 0.0000 N 0 0 0 0 0 0 0 0 0 2.5172 2.3586 0.0000 N 0 0 0 0 0 0 0 0 0 -3.4517 1.9448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7034 1.0035 0.0000 P 0 0 3 0 0 0 0 0 0 -4.6552 1.4310 0.0000 P 0 0 3 0 0 0 0 0 0 -3.4069 0.9862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7069 0.2828 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7621 1.7862 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6552 -0.0241 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6655 2.1345 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3759 1.4379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6586 -1.5069 0.0000 P 0 0 3 0 0 0 0 0 0 -3.8759 -1.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6621 -2.2862 0.0000 O 0 0 0 0 0 0 0 0 0 -5.3690 -1.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -3.2034 -1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5310 -1.5035 0.0000 C 0 0 3 0 0 0 0 0 0 -1.8517 -1.1069 0.0000 C 0 0 3 0 0 0 0 0 0 -2.5276 -2.2828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5345 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2241 -1.4690 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8552 -0.3276 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5483 -1.0759 0.0000 N 0 0 0 0 0 0 0 0 0 -1.2276 -2.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0.1241 -1.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0.7966 -1.0724 0.0000 C 0 0 0 0 0 0 0 0 0 1.4690 -1.4621 0.0000 C 0 0 0 0 0 0 0 0 0 2.1483 -1.0690 0.0000 N 0 0 0 0 0 0 0 0 0 1.4655 -2.2448 0.0000 O 0 0 0 0 0 0 0 0 0 2.8241 -1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 3.4966 -1.0655 0.0000 C 0 0 0 0 0 0 0 0 0 4.1690 -1.4552 0.0000 S 0 0 0 0 0 0 0 0 0 4.8448 -1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 5.5276 -1.4517 0.0000 C 0 0 0 0 0 0 0 0 0 4.8414 -0.2793 0.0000 O 0 0 0 0 0 0 0 0 0 5.5345 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 6.2103 -1.0517 0.0000 C 0 0 0 0 0 0 0 0 0 6.2207 -2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 6.8966 -1.4414 0.0000 C 0 0 0 0 0 0 0 0 0 6.9000 -2.2310 0.0000 C 0 0 0 0 0 0 0 0 0 6.2241 -3.4172 0.0000 F 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 2 0 0 0 50 53 1 0 0 0 52 54 1 0 0 0 53 55 2 0 0 0 54 56 2 0 0 0 54 57 1 0 0 0 7 9 1 0 0 0 10 11 1 0 0 0 14 17 1 0 0 0 55 56 1 0 0 0 M END