KEGG:C06882 Cefonicid ISISHOST03240423152D 1 1.00000 0.00000 5937 36 39 0 1 0 999 V2000 -0.5069 -0.4000 0.0000 N 0 0 3 0 0 0 0 0 0 -0.5034 0.4172 0.0000 C 0 0 1 0 0 0 0 0 0 0.1966 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3241 -0.4034 0.0000 C 0 0 0 0 0 0 0 0 0 -1.3241 0.4172 0.0000 C 0 0 1 0 0 0 0 0 0 0.2069 0.8241 0.0000 S 0 0 0 0 0 0 0 0 0 0.9069 -0.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0.1931 -1.6310 0.0000 C 0 0 0 0 0 0 0 0 0 -1.9069 -0.9828 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9069 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0.9103 0.4103 0.0000 C 0 0 0 0 0 0 0 0 0 1.6138 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5241 -2.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0.9069 -2.0448 0.0000 O 0 0 0 0 0 0 0 0 0 -2.7000 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 2.3241 -0.4138 0.0000 S 0 0 0 0 0 0 0 0 0 -3.2793 1.3655 0.0000 C 0 0 3 0 0 0 0 0 0 -2.9138 -0.0069 0.0000 O 0 0 0 0 0 0 0 0 0 3.0345 -0.8276 0.0000 C 0 0 0 0 0 0 0 0 0 -4.0724 1.1552 0.0000 C 0 0 0 0 0 0 0 0 0 -3.0655 2.1586 0.0000 O 0 0 0 0 0 0 0 0 0 3.7897 -0.4966 0.0000 N 0 0 3 0 0 0 0 0 0 3.1207 -1.6448 0.0000 N 0 0 0 0 0 0 0 0 0 -4.6483 1.7345 0.0000 C 0 0 0 0 0 0 0 0 0 -4.2828 0.3655 0.0000 C 0 0 0 0 0 0 0 0 0 4.3379 -1.1138 0.0000 N 0 0 0 0 0 0 0 0 0 3.9655 0.3034 0.0000 C 0 0 0 0 0 0 0 0 0 3.9207 -1.8207 0.0000 N 0 0 0 0 0 0 0 0 0 -5.4448 1.5241 0.0000 C 0 0 0 0 0 0 0 0 0 -5.0759 0.1517 0.0000 C 0 0 0 0 0 0 0 0 0 4.7483 0.5517 0.0000 S 0 0 3 0 0 0 0 0 0 -5.6552 0.7310 0.0000 C 0 0 0 0 0 0 0 0 0 4.4448 1.4552 0.0000 O 0 0 0 0 0 0 0 0 0 5.4793 0.7931 0.0000 O 0 0 0 0 0 0 0 0 0 5.0276 -0.2862 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4966 1.2897 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 1 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 22 26 1 0 0 0 22 27 1 0 0 0 23 28 1 0 0 0 24 29 1 0 0 0 25 30 2 0 0 0 27 31 1 0 0 0 29 32 2 0 0 0 31 33 1 0 0 0 31 34 2 0 0 0 31 35 2 0 0 0 4 5 1 0 0 0 7 11 1 0 0 0 26 28 2 0 0 0 30 32 1 0 0 0 2 36 1 6 0 0 M END