KEGG:C01564 Cetraxate ISISHOST12280422052D 1 1.00000 0.00000 1434 22 23 0 0 0 999 V2000 1.2625 -11.2917 0.0000 C 0 0 1 0 0 0 0 0 0 1.2625 -12.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0.5463 -12.5292 0.0000 C 0 0 0 0 0 0 0 0 0 -0.1657 -12.1167 0.0000 C 0 0 1 0 0 0 0 0 0 -0.1657 -11.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0.5463 -10.8792 0.0000 C 0 0 0 0 0 0 0 0 0 -0.8805 -12.5286 0.0000 C 0 0 0 0 0 0 0 0 0 -1.5946 -12.1156 0.0000 N 0 0 0 0 0 0 0 0 0 1.9768 -10.8788 0.0000 C 0 0 0 0 0 0 0 0 0 2.6914 -11.2909 0.0000 O 0 0 0 0 0 0 0 0 0 1.9763 -10.0538 0.0000 O 0 0 0 0 0 0 0 0 0 3.4057 -10.8781 0.0000 C 0 0 0 0 0 0 0 0 0 4.1166 -11.2900 0.0000 C 0 0 0 0 0 0 0 0 0 4.8309 -10.8771 0.0000 C 0 0 0 0 0 0 0 0 0 4.8305 -10.0521 0.0000 C 0 0 0 0 0 0 0 0 0 4.1158 -9.6400 0.0000 C 0 0 0 0 0 0 0 0 0 3.4015 -10.0528 0.0000 C 0 0 0 0 0 0 0 0 0 5.5417 -9.6375 0.0000 C 0 0 0 0 0 0 0 0 0 6.2542 -10.0458 0.0000 C 0 0 0 0 0 0 0 0 0 6.9667 -9.6333 0.0000 C 0 0 0 0 0 0 0 0 0 7.6792 -10.0417 0.0000 O 0 0 0 0 0 0 0 0 0 6.9649 -8.8083 0.0000 O 0 0 0 0 0 0 0 0 0 9 11 2 0 0 0 5 6 1 0 0 0 10 12 1 0 0 0 6 1 1 0 0 0 4 7 1 6 0 0 1 2 1 0 0 0 7 8 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 16 1 0 0 0 16 17 2 0 0 0 17 12 1 0 0 0 2 3 1 0 0 0 15 18 1 0 0 0 1 9 1 1 0 0 18 19 1 0 0 0 3 4 1 0 0 0 19 20 1 0 0 0 9 10 1 0 0 0 20 21 1 0 0 0 4 5 1 0 0 0 20 22 2 0 0 0 M END