KEGG:C08038 Chlorhexidine gluconate ISISHOST03240423182D 1 1.00000 0.00000 7081 60 59 0 0 0 999 V2000 -4.3621 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -3.8241 1.1172 0.0000 N 0 0 0 0 0 0 0 0 0 -4.8931 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -4.3621 2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -3.2966 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -5.4241 1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 -4.8931 2.3517 0.0000 C 0 0 0 0 0 0 0 0 0 -2.7621 1.1172 0.0000 N 0 0 0 0 0 0 0 0 0 -3.2966 2.0414 0.0000 N 0 0 0 0 0 0 0 0 0 -5.4241 2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 -2.2276 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -5.9621 2.3517 0.0000 Cl 0 0 0 0 0 0 0 0 0 -1.6931 1.1172 0.0000 N 0 0 0 0 0 0 0 0 0 -2.2276 2.0414 0.0000 N 0 0 0 0 0 0 0 0 0 -1.1586 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 -0.6207 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 -0.0897 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0.4448 1.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0.9793 1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 1.5103 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 2.0483 1.4276 0.0000 N 0 0 0 0 0 0 0 0 0 2.5793 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 3.1172 1.4276 0.0000 N 0 0 0 0 0 0 0 0 0 2.5793 0.5034 0.0000 N 0 0 0 0 0 0 0 0 0 3.6483 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 4.1862 1.4276 0.0000 N 0 0 0 0 0 0 0 0 0 3.6483 0.5034 0.0000 N 0 0 0 0 0 0 0 0 0 4.7172 1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 4.7138 0.5069 0.0000 C 0 0 0 0 0 0 0 0 0 5.2448 1.4310 0.0000 C 0 0 0 0 0 0 0 0 0 5.2448 0.2034 0.0000 C 0 0 0 0 0 0 0 0 0 5.7793 1.1276 0.0000 C 0 0 0 0 0 0 0 0 0 5.7793 0.5138 0.0000 C 0 0 0 0 0 0 0 0 0 6.3138 0.2034 0.0000 Cl 0 0 0 0 0 0 0 0 0 -0.5483 -1.2345 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0207 -1.5379 0.0000 C 0 0 1 0 0 0 0 0 0 -1.0793 -1.5379 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5483 -0.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0.5103 -1.2345 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0207 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6138 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0793 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 1.0448 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0.5103 -0.6172 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1448 -1.5379 0.0000 O 0 0 0 0 0 0 0 0 0 1.5759 -1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 1.0448 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 -0.5483 -1.2345 0.0000 C 0 0 1 0 0 0 0 0 0 -0.0207 -1.5379 0.0000 C 0 0 1 0 0 0 0 0 0 -1.0793 -1.5379 0.0000 C 0 0 1 0 0 0 0 0 0 -0.5483 -0.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0.5103 -1.2345 0.0000 C 0 0 2 0 0 0 0 0 0 -0.0207 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 -1.6138 -1.2345 0.0000 C 0 0 0 0 0 0 0 0 0 -1.0793 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 1.0448 -1.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0.5103 -0.6172 0.0000 O 0 0 0 0 0 0 0 0 0 -2.1448 -1.5379 0.0000 O 0 0 0 0 0 0 0 0 0 1.5759 -1.2345 0.0000 O 0 0 0 0 0 0 0 0 0 1.0448 -2.1552 0.0000 O 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 3 6 1 0 0 0 4 7 2 0 0 0 5 8 1 0 0 0 5 9 2 0 0 0 6 10 2 0 0 0 8 11 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 11 14 2 0 0 0 13 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 22 24 2 0 0 0 23 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 26 28 1 0 0 0 28 29 2 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 2 0 0 0 31 33 2 0 0 0 33 34 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 35 38 1 1 0 0 36 39 1 0 0 0 36 40 1 1 0 0 37 41 1 0 0 0 37 42 1 6 0 0 39 43 1 0 0 0 39 44 1 1 0 0 41 45 1 0 0 0 43 46 1 0 0 0 43 47 2 0 0 0 48 49 1 0 0 0 48 50 1 0 0 0 48 51 1 1 0 0 49 52 1 0 0 0 49 53 1 1 0 0 50 54 1 0 0 0 50 55 1 6 0 0 52 56 1 0 0 0 52 57 1 1 0 0 54 58 1 0 0 0 56 59 1 0 0 0 56 60 2 0 0 0 7 10 1 0 0 0 32 33 1 0 0 0 M STY 1 1 MUL M SLB 1 1 1 M SCN 1 1 HT M SAL 1 15 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 M SAL 1 11 50 51 52 53 54 55 56 57 58 59 60 M SPA 1 13 35 36 37 38 39 40 41 42 43 44 45 46 47 M SMT 1 2 M SDI 1 4 -2.8897 -2.6000 -2.8897 -0.2552 M SDI 1 4 2.2483 -0.2552 2.2483 -2.6000 M END