KEGG:C03112 Deacetylcephalosporin C ISISHOST03240423072D 1 1.00000 0.00000 2749 26 27 0 1 0 999 V2000 1.5793 -0.5034 0.0000 N 0 0 3 0 0 0 0 0 0 1.5793 0.2483 0.0000 C 0 0 1 0 0 0 0 0 0 2.2276 -0.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0.8276 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0.8276 0.2483 0.0000 C 0 0 1 0 0 0 0 0 0 2.2276 0.6207 0.0000 S 0 0 0 0 0 0 0 0 0 2.8862 -0.5103 0.0000 C 0 0 0 0 0 0 0 0 0 2.2207 -1.6448 0.0000 C 0 0 0 0 0 0 0 0 0 0.2966 -1.0345 0.0000 O 0 0 0 0 0 0 0 0 0 -0.3414 0.5586 0.0000 N 0 0 0 0 0 0 0 0 0 2.8862 0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 3.5345 -0.8862 0.0000 C 0 0 0 0 0 0 0 0 0 1.5690 -2.0138 0.0000 O 0 0 0 0 0 0 0 0 0 2.8690 -2.0241 0.0000 O 0 0 0 0 0 0 0 0 0 -0.9897 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 4.1862 -0.5103 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6379 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -0.9897 1.6862 0.0000 O 0 0 0 0 0 0 0 0 0 -2.2897 0.9345 0.0000 C 0 0 0 0 0 0 0 0 0 -2.9379 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5862 0.9345 0.0000 C 0 0 2 0 0 0 0 0 0 -4.2379 0.5586 0.0000 C 0 0 0 0 0 0 0 0 0 -3.5862 1.6862 0.0000 N 0 0 0 0 0 0 0 0 0 -4.8862 0.9379 0.0000 O 0 0 0 0 0 0 0 0 0 -4.2345 -0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 1.5793 0.9966 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 17 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 21 23 1 6 0 0 22 24 1 0 0 0 22 25 2 0 0 0 4 5 1 0 0 0 7 11 1 0 0 0 2 26 1 6 0 0 M END