KEGG:C11721 Candoxatrilat ISISHOST03240423292D 1 1.00000 0.00000 12872 28 29 0 1 0 999 V2000 14.6079 -14.2936 0.0000 C 0 0 3 0 0 0 0 0 0 15.2837 -13.8101 0.0000 C 0 0 0 0 0 0 0 0 0 15.0332 -13.0172 0.0000 C 0 0 0 0 0 0 0 0 0 14.2015 -13.0125 0.0000 C 0 0 0 0 0 0 0 0 0 13.9393 -13.8004 0.0000 C 0 0 0 0 0 0 0 0 0 11.7542 -10.9625 0.0000 O 0 0 0 0 0 0 0 0 0 11.7500 -11.7917 0.0000 C 0 0 0 0 0 0 0 0 0 12.4624 -12.2078 0.0000 C 0 0 0 0 0 0 0 0 0 12.4582 -13.0370 0.0000 O 0 0 0 0 0 0 0 0 0 13.1748 -13.4572 0.0000 C 0 0 0 0 0 0 0 0 0 13.1706 -14.2864 0.0000 C 0 0 2 0 0 0 0 0 0 13.8872 -14.7025 0.0000 C 0 0 0 0 0 0 0 0 0 12.4499 -14.6953 0.0000 C 0 0 0 0 0 0 0 0 0 11.7375 -14.2792 0.0000 O 0 0 0 0 0 0 0 0 0 12.4457 -15.5244 0.0000 O 0 0 0 0 0 0 0 0 0 15.3244 -14.7097 0.0000 C 0 0 0 0 0 0 0 0 0 16.0451 -14.3008 0.0000 N 0 0 0 0 0 0 0 0 0 15.3203 -15.5389 0.0000 O 0 0 0 0 0 0 0 0 0 16.7617 -14.7169 0.0000 C 0 0 2 0 0 0 0 0 0 16.7539 -15.5458 0.0000 C 0 0 0 0 0 0 0 0 0 17.4704 -15.9661 0.0000 C 0 0 0 0 0 0 0 0 0 18.1870 -15.5530 0.0000 C 0 0 1 0 0 0 0 0 0 18.1911 -14.7239 0.0000 C 0 0 0 0 0 0 0 0 0 17.4787 -14.3078 0.0000 C 0 0 0 0 0 0 0 0 0 18.9035 -15.9733 0.0000 C 0 0 0 0 0 0 0 0 0 12.4707 -10.5495 0.0000 C 0 0 0 0 0 0 0 0 0 18.8995 -16.7974 0.0000 O 0 0 0 0 0 0 0 0 0 19.6244 -15.5551 0.0000 O 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 13 15 2 0 0 0 12 1 1 0 0 0 7 8 1 0 0 0 1 16 1 0 0 0 3 4 1 0 0 0 16 17 1 0 0 0 8 9 1 0 0 0 16 18 2 0 0 0 4 5 1 0 0 0 19 17 1 1 0 0 9 10 1 0 0 0 5 1 1 0 0 0 11 10 1 6 0 0 11 12 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 23 24 1 0 0 0 24 19 1 0 0 0 1 2 1 0 0 0 22 25 1 1 0 0 11 13 1 0 0 0 6 26 1 0 0 0 6 7 1 0 0 0 13 14 1 0 0 0 25 27 1 0 0 0 25 28 2 0 0 0 M END