KEGG:C12038 Yersiniabactin ISISHOST06010423302D 1 1.00000 0.00000 13933 33 36 0 1 0 999 V2000 21.9835 -16.8633 0.0000 C 0 0 0 0 0 0 0 0 0 22.6980 -16.4508 0.0000 O 0 0 0 0 0 0 0 0 0 21.2690 -16.4508 0.0000 C 0 0 1 0 0 0 0 0 0 21.9835 -17.6883 0.0000 O 0 0 0 0 0 0 0 0 0 21.5258 -15.6667 0.0000 C 0 0 0 0 0 0 0 0 0 20.8565 -15.1800 0.0000 S 0 0 0 0 0 0 0 0 0 20.1873 -15.6667 0.0000 C 0 0 0 0 0 0 0 0 0 20.4440 -16.4508 0.0000 N 0 0 0 0 0 0 0 0 0 18.7584 -15.6667 0.0000 C 0 0 1 0 0 0 0 0 0 19.4729 -15.2542 0.0000 C 0 0 3 0 0 0 0 0 0 18.0439 -15.2542 0.0000 C 0 0 1 0 0 0 0 0 0 15.9512 -14.8351 0.0000 C 0 0 2 0 0 0 0 0 0 16.7762 -14.8351 0.0000 C 0 0 3 0 0 0 0 0 0 17.2621 -15.5089 0.0000 N 0 0 0 0 0 0 0 0 0 18.0466 -14.4290 0.0000 C 0 0 0 0 0 0 0 0 0 17.2621 -14.1740 0.0000 S 0 0 0 0 0 0 0 0 0 15.4652 -14.1613 0.0000 N 0 0 0 0 0 0 0 0 0 14.6805 -14.4162 0.0000 C 0 0 0 0 0 0 0 0 0 14.6807 -15.2412 0.0000 S 0 0 0 0 0 0 0 0 0 15.4652 -15.4962 0.0000 C 0 0 0 0 0 0 0 0 0 12.5376 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 12.5376 -14.0042 0.0000 C 0 0 0 0 0 0 0 0 0 13.2538 -14.4167 0.0000 C 0 0 0 0 0 0 0 0 0 13.9658 -14.0042 0.0000 C 0 0 0 0 0 0 0 0 0 13.9658 -13.1792 0.0000 C 0 0 0 0 0 0 0 0 0 13.2538 -12.7667 0.0000 C 0 0 0 0 0 0 0 0 0 18.7542 -16.4917 0.0000 O 0 0 0 0 0 0 0 0 0 19.8792 -14.5334 0.0000 C 0 0 0 0 0 0 0 0 0 19.0542 -14.5334 0.0000 C 0 0 0 0 0 0 0 0 0 14.6806 -12.7672 0.0000 O 0 0 0 0 0 0 0 0 0 15.9459 -15.6584 0.0000 H 0 0 0 0 0 0 0 0 0 18.4500 -14.5375 0.0000 H 0 0 0 0 0 0 0 0 0 21.9792 -16.0334 0.0000 C 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 11 9 1 0 0 0 10 7 1 0 0 0 3 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 13 14 1 0 0 0 14 11 1 0 0 0 11 15 1 0 0 0 15 16 1 0 0 0 16 13 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 21 1 0 0 0 24 18 1 0 0 0 12 13 1 0 0 0 17 12 1 0 0 0 8 3 1 0 0 0 9 27 1 6 0 0 10 28 1 0 0 0 10 29 1 0 0 0 1 3 1 0 0 0 25 30 1 0 0 0 12 31 1 6 0 0 12 20 1 0 0 0 1 2 1 0 0 0 11 32 1 6 0 0 9 10 1 0 0 0 3 33 1 1 0 0 M END