KEGG:C11307 Cetylpyridinium chloride ISISHOST03240423282D 1 1.00000 0.00000 11076 24 22 0 0 0 999 V2000 13.9686 -2.3737 0.0000 Cl 0 5 0 0 0 0 0 0 0 13.9667 -3.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0.2671 -2.1136 0.0000 C 0 0 0 0 0 0 0 0 0 1.0039 -2.5275 0.0000 C 0 0 0 0 0 0 0 0 0 1.7097 -2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 2.4078 -2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 3.1515 -2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 3.8538 -2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 4.5595 -2.1556 0.0000 C 0 0 0 0 0 0 0 0 0 5.2998 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 6.0013 -2.2004 0.0000 C 0 0 0 0 0 0 0 0 0 6.7037 -2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 7.4473 -2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 8.1496 -2.6524 0.0000 C 0 0 0 0 0 0 0 0 0 8.8408 -2.2384 0.0000 C 0 0 0 0 0 0 0 0 0 9.5921 -2.6937 0.0000 C 0 0 0 0 0 0 0 0 0 10.2868 -2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 10.9926 -2.6937 0.0000 N 0 3 0 0 0 0 0 0 0 10.9845 -3.5097 0.0000 C 0 0 0 0 0 0 0 0 0 11.6862 -3.9271 0.0000 C 0 0 0 0 0 0 0 0 0 12.3991 -3.5221 0.0000 C 0 0 0 0 0 0 0 0 0 12.4063 -2.7081 0.0000 C 0 0 0 0 0 0 0 0 0 11.7046 -2.2908 0.0000 C 0 0 0 0 0 0 0 0 0 -0.4748 -2.5569 0.0000 C 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 18 19 2 0 0 0 19 20 1 0 0 0 20 21 2 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 18 1 0 0 0 5 6 1 0 0 0 3 24 1 0 0 0 M CHG 2 1 -1 18 1 M END