KEGG:C07456 Isosorbide dinitrate ISISHOST03240423172D 1 1.00000 0.00000 6502 18 19 0 0 0 999 V2000 -0.0034 -0.4138 0.0000 C 0 0 1 0 0 0 0 0 0 0.0000 0.4138 0.0000 C 0 0 1 0 0 0 0 0 0 0.7862 -0.6724 0.0000 C 0 0 1 0 0 0 0 0 0 -0.7862 -0.6655 0.0000 O 0 0 0 0 0 0 0 0 0 -0.7862 0.6724 0.0000 C 0 0 2 0 0 0 0 0 0 0.7897 0.6724 0.0000 O 0 0 0 0 0 0 0 0 0 1.2724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 1.0379 -1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.2724 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0414 1.4586 0.0000 O 0 0 0 0 0 0 0 0 0 1.8448 -1.6310 0.0000 N 0 3 0 0 0 0 0 0 0 -1.8483 1.6276 0.0000 N 0 3 0 0 0 0 0 0 0 2.4000 -1.0207 0.0000 O 0 0 0 0 0 0 0 0 0 2.0966 -2.4172 0.0000 O 0 5 0 0 0 0 0 0 0 -2.4000 1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1034 2.4103 0.0000 O 0 5 0 0 0 0 0 0 0 -0.0138 -1.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0.0034 1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 0 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 1 0 0 0 3 8 1 1 0 0 4 9 1 0 0 0 5 10 1 6 0 0 8 11 1 0 0 0 10 12 1 0 0 0 11 13 2 0 0 0 11 14 1 0 0 0 12 15 2 0 0 0 12 16 1 0 0 0 5 9 1 0 0 0 6 7 1 0 0 0 1 17 1 6 0 0 2 18 1 6 0 0 M CHG 4 11 1 12 1 14 -1 16 -1 M END