KEGG:C06683 Ceftriaxone ISISHOST03240423152D 1 1.00000 0.00000 5746 37 40 0 1 0 999 V2000 0.0724 -0.6138 0.0000 N 0 0 3 0 0 0 0 0 0 0.0724 0.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0.7793 -1.0379 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7379 -0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 -0.7379 0.2034 0.0000 C 0 0 1 0 0 0 0 0 0 0.7793 0.6138 0.0000 S 0 0 0 0 0 0 0 0 0 1.4966 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0.7759 -1.8552 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3207 -1.1897 0.0000 O 0 0 0 0 0 0 0 0 0 -2.0138 0.5448 0.0000 N 0 0 0 0 0 0 0 0 0 1.4966 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 2.2069 -1.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0.0621 -2.2517 0.0000 O 0 0 0 0 0 0 0 0 0 1.4828 -2.2655 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7207 0.9552 0.0000 C 0 0 0 0 0 0 0 0 0 3.0172 -1.0241 0.0000 S 0 0 0 0 0 0 0 0 0 -3.4345 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7207 1.7724 0.0000 O 0 0 0 0 0 0 0 0 0 3.7172 -0.6172 0.0000 C 0 0 0 0 0 0 0 0 0 -4.1310 0.9586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.4379 -0.2655 0.0000 N 0 0 0 0 0 0 0 0 0 3.7172 0.1966 0.0000 N 0 0 3 0 0 0 0 0 0 4.4241 -1.0172 0.0000 N 0 0 0 0 0 0 0 0 0 -4.9379 0.9138 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9241 1.7379 0.0000 N 0 0 0 0 0 0 0 0 0 -4.0172 -0.8414 0.0000 O 0 0 0 0 0 0 0 0 0 4.4207 0.6034 0.0000 N 0 0 0 0 0 0 0 0 0 3.0103 0.6034 0.0000 C 0 0 0 0 0 0 0 0 0 5.1207 -0.6138 0.0000 C 0 0 0 0 0 0 0 0 0 -5.2276 1.6690 0.0000 S 0 0 0 0 0 0 0 0 0 -4.6034 2.1759 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8379 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 5.1207 0.1966 0.0000 C 0 0 0 0 0 0 0 0 0 5.8172 -1.0138 0.0000 O 0 0 0 0 0 0 0 0 0 -4.6069 2.9862 0.0000 N 0 0 0 0 0 0 0 0 0 5.8172 0.6103 0.0000 O 0 0 0 0 0 0 0 0 0 0.0724 1.0207 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 2 0 0 0 3 8 1 0 0 0 4 9 2 0 0 0 5 10 1 1 0 0 6 11 1 0 0 0 7 12 1 0 0 0 8 13 1 0 0 0 8 14 2 0 0 0 10 15 1 0 0 0 12 16 1 0 0 0 15 17 1 0 0 0 15 18 2 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 17 21 2 0 0 0 19 22 1 0 0 0 19 23 2 0 0 0 20 24 2 0 0 0 20 25 1 0 0 0 21 26 1 0 0 0 22 27 1 0 0 0 22 28 1 0 0 0 23 29 1 0 0 0 24 30 1 0 0 0 25 31 2 0 0 0 26 32 1 0 0 0 27 33 2 0 0 0 29 34 2 0 0 0 31 35 1 0 0 0 33 36 1 0 0 0 4 5 1 0 0 0 7 11 1 0 0 0 29 33 1 0 0 0 30 31 1 0 0 0 2 37 1 6 0 0 M END