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8.2079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7525 16.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9792 11.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3686 11.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9640 10.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5746 11.3942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4883 14.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6748 13.1867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7373 16.7522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9238 15.6947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8412 18.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8503 17.8094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8162 14.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3554 17.2196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 18.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1556 18.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4542 18.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4740 19.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1755 20.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5067 20.3804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8053 19.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8293 22.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 22.1765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0658 21.3062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3950 20.9789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7376 21.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 22.1286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 25.4861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 24.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 24.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4800 26.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7446 27.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2671 26.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 24.7790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4001 24.2929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4017 28.4533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9387 27.5233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1190 1 0 0 0 0 1192 1 0 0 0 0 2193 1 0 0 0 0 2195 1 0 0 0 0 3199 1 0 0 0 0 3200 1 0 0 0 0 3201 1 0 0 0 0 80 4 1 6 0 0 0 4 96 1 0 0 0 0 78 5 1 6 0 0 0 5222 1 0 0 0 0 6 88 1 0 0 0 0 6101 1 0 0 0 0 7 88 2 0 0 0 0 8 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2 0 0 0 0 157161 2 0 0 0 0 158162 2 0 0 0 0 158308 1 0 0 0 0 161162 1 0 0 0 0 161313 1 0 0 0 0 162314 1 0 0 0 0 163316 1 0 0 0 0 164165 1 0 0 0 0 164169 1 0 0 0 0 164318 1 0 0 0 0 165168 1 0 0 0 0 165319 1 0 0 0 0 166171 1 0 0 0 0 167320 1 0 0 0 0 168172 1 6 0 0 0 168173 1 0 0 0 0 168323 1 0 0 0 0 169324 1 0 0 0 0 169325 1 0 0 0 0 169326 1 0 0 0 0 170327 1 0 0 0 0 170328 1 0 0 0 0 170329 1 0 0 0 0 171174 2 0 0 0 0 172330 1 0 0 0 0 172331 1 0 0 0 0 172332 1 0 0 0 0 174177 1 0 0 0 0 174178 1 0 0 0 0 175180 1 0 0 0 0 175181 1 0 0 0 0 175335 1 0 0 0 0 176179 1 0 0 0 0 178336 1 0 0 0 0 178337 1 0 0 0 0 178338 1 0 0 0 0 179182 1 0 0 0 0 179339 1 0 0 0 0 180183 1 0 0 0 0 180340 1 0 0 0 0 182185 1 0 0 0 0 182341 1 0 0 0 0 182342 1 0 0 0 0 183346 1 0 0 0 0 183347 1 0 0 0 0 183348 1 0 0 0 0 184186 1 0 0 0 0 184349 1 0 0 0 0 184350 1 0 0 0 0 186189 1 0 0 0 0 186353 1 0 0 0 0 187188 1 0 0 0 0 187354 1 0 0 0 0 187355 1 0 0 0 0 188190 1 0 0 0 0 188356 1 0 0 0 0 188357 1 0 0 0 0 191192 2 0 0 0 0 191193 1 0 0 0 0 192364 1 0 0 0 0 194195 2 0 0 0 0 194196 1 0 0 0 0 195365 1 0 0 0 0 197198 1 0 0 0 0 197367 1 0 0 0 0 197368 1 0 0 0 0 198199 1 0 0 0 0 198369 1 0 0 0 0 198370 1 0 0 0 0 199371 1 0 0 0 0 199372 1 0 0 0 0 200373 1 0 0 0 0 200374 1 0 0 0 0 200375 1 0 0 0 0 201376 1 0 0 0 0 201377 1 0 0 0 0 201378 1 0 0 0 0 202379 1 0 0 0 0 202380 1 0 0 0 0 202381 1 0 0 0 0 203382 1 0 0 0 0 203383 1 0 0 0 0 203384 1 0 0 0 0 204205 1 0 0 0 0 205206 1 0 0 0 0 207386 1 0 0 0 0 M CHG 1 3 1 M END > 56842084 > 1 > 5560 > 59 > 31 > 54 > AAADcfB//gBgAAAAAAAAAAAAAAAAAWLFixY8eNGjQAAAAFjB/gAAHgQYCAAAD3z13we///fLlgisA7f3fAaC+K33OrgJ+bX/fNmff/7m/fu/dWhv9hP/+af//f/fwQADQAAaEADSgAaUCDSgAAAAAAAAAA== > 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide;methyl (1R,9R,10S,11R,12R,19R)-11-acetoxy-12-ethyl-5-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-6-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-5-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-6-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylic acid methyl ester;3-[[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[(2R,3S,4S,5S,6S)-3-[[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-2-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]ethyl]-4-thiazolyl]-4-thiazolyl]-oxomethyl]amino]propyl-dimethylsulfonium;(7S,9S)-7-[[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyl]oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(5Z)-5-(dimethylaminohydrazinylidene)-4-imidazolecarboxamide > 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-5-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-6-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-5-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-6-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > 3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[(1S)-3-azanyl-1-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methyl-3-oxidanyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium;(7S,9S)-7-[(2R,4S,5R,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4-methoxy-6,9,11-tris(oxidanyl)-9-(2-oxidanylethanoyl)-8,10-dihydro-7H-tetracene-5,12-dione;(5Z)-5-(dimethylaminohydrazinylidene)imidazole-4-carboxamide;methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-5-[(13S,15R,17S)-17-ethyl-13-methoxycarbonyl-17-oxidanyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-6-methoxy-8-methyl-10-oxidanyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate > (1R,9R,10S,11R,12R,19R)-11-acetoxy-5-[(13S,15R,17S)-13-carbomethoxy-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-12-ethyl-10-hydroxy-6-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylic acid methyl ester;3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-keto-propyl]amino]-3-keto-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3R,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium;(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-9-glycoloyl-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-quinone;(5Z)-5-(dimethylaminohydrazono)imidazole-4-carboxamide > InChI=1S/C55H83N17O21S3.C46H58N4O9.C27H29NO11.C6H10N6O/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;1-8-42(54)23-28-24-45(40(52)57-6,36-30(17-21-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-16-15-31-34(35(32)56-5)48(4)38-44(31)19-22-50-20-12-18-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;1-12(2)11-10-6-4(5(7)13)8-3-9-6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);10-16,18,28,37-39,47,54-55H,8-9,17,19-26H2,1-7H3;3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;3,11H,1-2H3,(H2,7,13)/p+1/b;;;10-6-/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40+,41?,42-,43-,53+,54-;28-,37-,38+,39+,42-,43+,44+,45-,46-;10-,13-,15-,17-,22-,27-;/m000./s1 > AQGAPDRYTMVBHY-JUJSHWCRSA-O > 2951.2083853 > C134H181N28O42S3+ > 2952.2 > CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C6=C(C=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.CN(C)NN=C1C(=NC=N1)C(=O)N > CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C6=C(C=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.CN(C)N/N=C\1/C(=NC=N1)C(=O)N > 1140 > 2950.2050304 > 1 > 207 > 33 > 1 > 1 > 0 > 0 > 4 > -1 > 1 5 255 > 1 190 8 1 192 8 104 110 8 110 112 8 110 114 8 112 115 8 114 118 8 115 119 8 118 119 8 107 12 5 124 125 8 124 132 8 125 135 8 121 13 6 126 13 6 131 146 5 132 139 8 135 142 8 139 142 8 141 150 6 145 152 5 120 15 6 153 154 8 153 157 8 154 158 8 156 163 8 157 161 8 158 162 8 130 16 5 138 16 6 161 162 8 168 172 6 171 174 8 174 177 8 137 19 5 151 19 3 191 192 8 194 195 8 2 193 8 2 195 8 129 20 6 134 22 5 136 24 6 143 25 5 140 27 6 144 28 6 165 37 6 80 4 6 180 40 6 48 112 8 48 98 8 78 5 6 128 50 5 155 51 6 52 156 8 52 167 8 164 53 5 54 163 8 54 167 8 56 171 8 56 176 8 175 57 6 58 176 8 58 177 8 179 59 6 186 63 5 65 190 8 65 191 8 66 193 8 66 194 8 74 79 6 75 208 5 76 209 6 77 83 5 81 84 8 81 89 8 84 91 8 89 94 8 91 93 8 93 94 8 95 102 5 98 104 8 99 232 6 $$$$