KEGG:C07481 Caffeine ISISHOST03240423172D 1 1.00000 0.00000 6527 14 15 0 0 0 999 V2000 -0.4448 0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4448 -0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0.2655 0.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2138 0.5724 0.0000 N 0 0 3 0 0 0 0 0 0 0.2655 -0.9276 0.0000 N 0 0 3 0 0 0 0 0 0 -1.2138 -0.7793 0.0000 N 0 0 0 0 0 0 0 0 0 0.9862 0.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0.2655 1.5483 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6965 -0.1103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4690 1.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0.9862 -0.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0.2655 -1.7724 0.0000 C 0 0 0 0 0 0 0 0 0 1.7069 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 1.7241 -0.9069 0.0000 O 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 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 4 10 1 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 7 13 1 0 0 0 11 14 2 0 0 0 6 9 2 0 0 0 7 11 1 0 0 0 M END