KEGG:C12369 Tetracenomycin B3 ISISHOST09080423312D 1 1.00000 0.00000 14994 29 32 0 0 0 999 V2000 30.5985 0.8530 0.0000 C 0 0 0 0 0 0 0 0 0 28.0083 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 28.5292 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 29.0458 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 29.5667 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 30.0833 0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 28.0065 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 31.1167 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 31.6375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 32.1542 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 28.5250 -0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 29.0417 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 29.5625 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 30.0792 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 30.5958 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 31.1125 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 31.6333 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 32.1542 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 28.5208 -1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 29.5583 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 30.5917 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 31.6292 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 27.4875 0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 32.6727 -0.4427 0.0000 C 0 0 0 0 0 0 0 0 0 33.1942 -0.1396 0.0000 O 0 0 0 0 0 0 0 0 0 32.6739 -1.0427 0.0000 O 0 0 0 0 0 0 0 0 0 29.5625 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 32.6708 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 26.9670 0.5534 0.0000 C 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 1 8 2 0 0 0 15 16 2 0 0 0 4 5 1 0 0 0 16 17 1 0 0 0 8 9 1 0 0 0 17 18 2 0 0 0 11 19 1 0 0 0 9 10 2 0 0 0 13 20 2 0 0 0 5 6 1 0 0 0 15 21 1 0 0 0 7 11 1 0 0 0 17 22 1 0 0 0 6 1 1 0 0 0 2 23 1 0 0 0 4 12 1 0 0 0 6 14 2 0 0 0 8 16 1 0 0 0 10 18 1 0 0 0 11 12 2 0 0 0 18 24 1 0 0 0 3 4 2 0 0 0 24 25 1 0 0 0 12 13 1 0 0 0 24 26 2 0 0 0 2 7 2 0 0 0 5 27 2 0 0 0 13 14 1 0 0 0 10 28 1 0 0 0 2 3 1 0 0 0 23 29 1 0 0 0 M END