KEGG:C08116 Ceftazidime pentahydrate ISISHOST03240423192D 1 1.00000 0.00000 7159 43 41 0 0 0 999 V2000 -0.1241 -1.1862 0.0000 N 0 0 3 0 0 0 0 0 0 -0.1172 -0.3690 0.0000 C 0 0 1 0 0 0 0 0 0 0.5862 -1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9414 -1.1897 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9414 -0.3690 0.0000 C 0 0 1 0 0 0 0 0 0 0.5931 0.0379 0.0000 S 0 0 0 0 0 0 0 0 0 1.2931 -1.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0.5793 -2.4138 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5172 -1.7690 0.0000 O 0 0 0 0 0 0 0 0 0 -1.5207 0.2138 0.0000 N 0 0 0 0 0 0 0 0 0 1.3000 -0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 2.0035 -1.6035 0.0000 C 0 0 0 0 0 0 0 0 0 1.2862 -2.8345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3621 -2.9586 0.0000 O 0 5 0 0 0 0 0 0 0 -2.3103 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 2.7138 -1.2000 0.0000 N 0 3 0 0 0 0 0 0 0 -2.8897 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 -2.5241 -0.7931 0.0000 O 0 0 0 0 0 0 0 0 0 3.4172 -1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 2.7138 -0.3828 0.0000 C 0 0 0 0 0 0 0 0 0 -3.6828 0.3724 0.0000 C 0 0 0 0 0 0 0 0 0 -2.6759 1.3759 0.0000 N 0 0 0 0 0 0 0 0 0 4.1310 -1.2103 0.0000 C 0 0 0 0 0 0 0 0 0 3.4276 0.0276 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3207 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 -3.9793 -0.3966 0.0000 N 0 0 0 0 0 0 0 0 0 -1.8828 1.5897 0.0000 O 0 0 0 0 0 0 0 0 0 4.1345 -0.3897 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0138 0.4414 0.0000 S 0 0 0 0 0 0 0 0 0 -4.8000 -0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -1.6483 2.5035 0.0000 C 0 0 3 0 0 0 0 0 0 -5.3172 -0.9897 0.0000 N 0 0 0 0 0 0 0 0 0 -0.9414 2.2931 0.0000 C 0 0 0 0 0 0 0 0 0 -1.4793 3.2034 0.0000 C 0 0 0 0 0 0 0 0 0 -2.4724 2.7517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1517 2.5035 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9414 1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 4.8103 2.0103 0.0000 O 0 0 0 0 0 0 0 0 0 4.8517 1.0517 0.0000 O 0 0 0 0 0 0 0 0 0 4.9379 0.0103 0.0000 O 0 0 0 0 0 0 0 0 0 5.0207 -0.9931 0.0000 O 0 0 0 0 0 0 0 0 0 4.7690 2.8862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.1069 0.5069 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 2 0 0 0 8 14 1 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 2 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 17 22 2 0 0 0 19 23 1 0 0 0 20 24 2 0 0 0 21 25 2 0 0 0 21 26 1 0 0 0 22 27 1 0 0 0 23 28 2 0 0 0 25 29 1 0 0 0 26 30 2 0 0 0 27 31 1 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 31 34 1 0 0 0 31 35 1 0 0 0 33 36 1 0 0 0 33 37 2 0 0 0 4 5 1 0 0 0 7 11 1 0 0 0 24 28 1 0 0 0 29 30 1 0 0 0 2 43 1 6 0 0 M CHG 2 14 -1 16 1 M END