KEGG:C07943 Entacapone ISISHOST03240423182D 1 1.00000 0.00000 6988 22 22 0 0 0 999 V2000 0.5862 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 1.2966 0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1310 0.6724 0.0000 C 0 0 0 0 0 0 0 0 0 0.5828 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 2.0172 0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8483 0.2655 0.0000 C 0 0 0 0 0 0 0 0 0 1.2966 -0.9862 0.0000 C 0 0 0 0 0 0 0 0 0 2.0172 -0.5690 0.0000 C 0 0 0 0 0 0 0 0 0 2.7345 0.6724 0.0000 N 0 3 0 0 0 0 0 0 0 -1.5621 0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8483 -0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 1.3069 -1.8138 0.0000 O 0 0 0 0 0 0 0 0 0 2.7379 -0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 2.7379 1.5035 0.0000 O 0 0 0 0 0 0 0 0 0 3.4517 0.2655 0.0000 O 0 5 0 0 0 0 0 0 0 -2.2793 0.2690 0.0000 N 0 0 3 0 0 0 0 0 0 -1.5586 1.5069 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5655 -0.9724 0.0000 N 0 0 0 0 0 0 0 0 0 -2.9931 0.6828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2793 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.7103 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9931 -0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 2 0 0 0 4 7 2 0 0 0 5 8 2 0 0 0 5 9 1 0 0 0 6 10 1 0 0 0 6 11 1 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 9 14 2 0 0 0 9 15 1 0 0 0 10 16 1 0 0 0 10 17 2 0 0 0 11 18 3 0 0 0 16 19 1 0 0 0 16 20 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 7 8 1 0 0 0 M CHG 2 9 1 15 -1 M END