KEGG:C04712 7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate ISISHOST03240423112D 1 1.00000 0.00000 4075 29 30 0 0 0 999 V2000 1.1241 -0.4276 0.0000 N 0 0 3 0 0 0 0 0 0 1.1241 0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 1.8241 -0.8517 0.0000 C 0 0 0 0 0 0 0 0 0 0.3103 -0.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0.3103 0.3828 0.0000 C 0 0 1 0 0 0 0 0 0 1.8241 0.7897 0.0000 S 0 0 0 0 0 0 0 0 0 2.5345 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 1.8172 -1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 -0.2655 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9552 0.7241 0.0000 N 0 0 0 0 0 0 0 0 0 2.5345 0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 3.2379 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 1.1103 -2.0586 0.0000 O 0 0 0 0 0 0 0 0 0 2.5172 -2.0690 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6552 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 3.9448 -0.4310 0.0000 O 0 0 0 0 0 0 0 0 0 -2.3586 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6552 1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 4.6483 -0.8414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0621 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 5.3448 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 4.6517 -1.6517 0.0000 O 0 0 0 0 0 0 0 0 0 -3.7621 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4655 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 -5.1724 0.7241 0.0000 C 0 0 0 0 0 0 0 0 0 -4.4655 1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 -5.8724 1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 -5.1690 -0.0897 0.0000 O 0 0 0 0 0 0 0 0 0 1.1241 1.1931 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 19 21 1 0 0 0 19 22 2 0 0 0 20 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 25 27 1 0 0 0 25 28 2 0 0 0 4 5 1 0 0 0 7 11 1 0 0 0 2 29 1 6 0 0 M END