KEGG:C03256 Cetraxate benzyl ester ISISHOST12280422092D 1 1.00000 0.00000 2864 29 31 0 0 0 999 V2000 1.0417 -2.8334 0.0000 C 0 0 1 0 0 0 0 0 0 1.0417 -3.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0.3255 -4.0709 0.0000 C 0 0 0 0 0 0 0 0 0 -0.3865 -3.6584 0.0000 C 0 0 1 0 0 0 0 0 0 -0.3865 -2.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0.3255 -2.4209 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1013 -4.0703 0.0000 C 0 0 0 0 0 0 0 0 0 -1.8154 -3.6573 0.0000 N 0 0 0 0 0 0 0 0 0 1.7560 -2.4205 0.0000 C 0 0 0 0 0 0 0 0 0 2.4706 -2.8326 0.0000 O 0 0 0 0 0 0 0 0 0 1.7555 -1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 3.1849 -2.4198 0.0000 C 0 0 0 0 0 0 0 0 0 3.8958 -2.8317 0.0000 C 0 0 0 0 0 0 0 0 0 4.6101 -2.4188 0.0000 C 0 0 0 0 0 0 0 0 0 4.6097 -1.5938 0.0000 C 0 0 0 0 0 0 0 0 0 3.8950 -1.1817 0.0000 C 0 0 0 0 0 0 0 0 0 3.1807 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 5.3209 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 6.0334 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 6.7459 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 7.4584 -1.5834 0.0000 O 0 0 0 0 0 0 0 0 0 6.7441 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 8.1715 -1.1686 0.0000 C 0 0 0 0 0 0 0 0 0 8.8873 -1.5789 0.0000 C 0 0 0 0 0 0 0 0 0 8.8855 -2.3996 0.0000 C 0 0 0 0 0 0 0 0 0 9.6013 -2.8099 0.0000 C 0 0 0 0 0 0 0 0 0 10.3144 -2.3952 0.0000 C 0 0 0 0 0 0 0 0 0 10.3119 -1.5702 0.0000 C 0 0 0 0 0 0 0 0 0 9.5961 -1.1599 0.0000 C 0 0 0 0 0 0 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 21 23 1 0 0 0 9 11 2 0 0 0 23 24 1 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 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 24 1 0 0 0 M END