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0 0 0 0 0 0 0 0 10.8613 -1.2383 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2408 1.6357 -2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4624 1.7182 -2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1986 0.4487 -3.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0465 0.3509 -0.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6192 -0.9984 -1.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4919 0.9160 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9010 0.3189 -2.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6736 -1.3151 -2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 -0.9071 -2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8763 -2.3122 -1.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9546 -2.3091 0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5678 1.7408 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2305 1.2908 -1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9146 1.9261 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5484 -0.7084 1.6719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 -0.9841 -0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1021 0.0158 1.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6115 -2.0538 3.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4576 -4.1520 2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -4.0448 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0 0 0 0 0 0 0 0 0 -7.7051 5.0171 -0.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5252 3.6868 -2.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0480 2.9941 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6232 1.2516 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5132 3.5593 -1.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 0.6317 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 1.9780 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0985 4.2761 1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 4.1850 1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4363 3.9334 2.7656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6344 2.1600 3.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4523 1.4858 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7333 1.7353 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 3.3340 2.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1133 1.6550 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 2.1901 0.7381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1392 3.1705 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 4.0322 0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0724 3.9160 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5166 -2.0961 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2631 0.0917 1.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0262 -1.6371 2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4970 -0.3390 1.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1114 -1.7637 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1991 -1.9518 2.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 1 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 48 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 58 1 0 0 0 0 6 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 60 3 1 0 0 0 0 55 14 1 0 0 0 0 22 17 1 0 0 0 0 35 30 1 0 0 0 0 43 38 1 0 0 0 0 1 63 1 0 0 0 0 1 64 1 0 0 0 0 1 65 1 0 0 0 0 2 66 1 0 0 0 0 2 67 1 0 0 0 0 3 68 1 1 0 0 0 4 69 1 0 0 0 0 4 70 1 0 0 0 0 5 71 1 0 0 0 0 5 72 1 0 0 0 0 7 73 1 0 0 0 0 9 74 1 0 0 0 0 9 75 1 0 0 0 0 9 76 1 0 0 0 0 10 77 1 0 0 0 0 13 78 1 0 0 0 0 14 79 1 1 0 0 0 18 80 1 0 0 0 0 19 81 1 0 0 0 0 19 82 1 0 0 0 0 20 83 1 0 0 0 0 20 84 1 0 0 0 0 21 85 1 0 0 0 0 21 86 1 0 0 0 0 22 87 1 1 0 0 0 26 88 1 0 0 0 0 27 89 1 0 0 0 0 27 90 1 0 0 0 0 31 91 1 0 0 0 0 32 92 1 0 0 0 0 32 93 1 0 0 0 0 33 94 1 0 0 0 0 33 95 1 0 0 0 0 34 96 1 0 0 0 0 34 97 1 0 0 0 0 35 98 1 1 0 0 0 39 99 1 0 0 0 0 40100 1 0 0 0 0 40101 1 0 0 0 0 41102 1 0 0 0 0 41103 1 0 0 0 0 42104 1 0 0 0 0 42105 1 0 0 0 0 43106 1 6 0 0 0 47107 1 0 0 0 0 48108 1 1 0 0 0 49109 1 1 0 0 0 50110 1 0 0 0 0 50111 1 0 0 0 0 50112 1 0 0 0 0 51113 1 0 0 0 0 55114 1 6 0 0 0 56115 1 1 0 0 0 57116 1 0 0 0 0 57117 1 0 0 0 0 57118 1 0 0 0 0 58119 1 0 0 0 0 58120 1 0 0 0 0 58121 1 0 0 0 0 60122 1 6 0 0 0 61123 1 0 0 0 0 61124 1 0 0 0 0 62125 1 0 0 0 0 62126 1 0 0 0 0 62127 1 0 0 0 0 M END > NP0016383 > NP-MRD > [H]ON1C(=O)[C@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@@]([H])(N([H])C(=O)[C@](O[H])(C([H])([H])[H])[C@]2(O[H])O[C@]([H])(C([H])([H])C([H])([H])[H])[C@@]([H])(C([H])([H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@@]([H])(OC(=O)[C@]([H])(N(O[H])C(=O)[C@@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)[C@]2([H])N(N([H])C([H])([H])C([H])([H])C2([H])[H])C(=O)C1([H])[H])[C@@]([H])(O[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H] > InChI=1S/C39H65N9O14/c1-7-23-15-16-39(58,62-27(23)8-2)38(6,57)37(56)43-29-31(21(3)4)61-36(55)30(22(5)49)48(60)34(53)26-14-11-18-41-46(26)33(52)25-13-10-17-40-45(25)28(50)20-44(59)32(51)24-12-9-19-42-47(24)35(29)54/h21-27,29-31,40-42,49,57-60H,7-20H2,1-6H3,(H,43,56)/t22-,23-,24+,25+,26-,27+,29-,30+,31-,38+,39+/m0/s1 > LIDQMIXLFKMPRJ-ALHWGSAKSA-N > C39H65N9O14 > 883.998 > 883.465097809 > 16 > 127 > 91.17289980623923 > 0 > 9 > 0 > 0 > (2S)-2-[(2R,5S,6R)-5,6-diethyl-2-hydroxyoxan-2-yl]-N-[(3R,13R,21S,24R,27S)-11,25-dihydroxy-24-[(1S)-1-hydroxyethyl]-2,9,12,19,23,26-hexaoxo-21-(propan-2-yl)-22-oxa-1,7,8,11,17,18,25,31-octaazatetracyclo[25.4.0.0^{3,8}.0^{13,18}]hentriacontan-20-yl]-2-hydroxypropanamide > -0.07 > -1.776836054999999 > -2.50 > 1 > 5 > 0 > 7.916462371639517 > 7.2824718036066045 > 4.318350663817449 > 303.42 > 246.31340000000006 > 7 > 0 > 2.78e+00 g/l > (2S)-2-[(2R,5S,6R)-5,6-diethyl-2-hydroxyoxan-2-yl]-N-[(3R,13R,21S,24R,27S)-11,25-dihydroxy-24-[(1S)-1-hydroxyethyl]-21-isopropyl-2,9,12,19,23,26-hexaoxo-22-oxa-1,7,8,11,17,18,25,31-octaazatetracyclo[25.4.0.0^{3,8}.0^{13,18}]hentriacontan-20-yl]-2-hydroxypropanamide > 0 > NP0016383 > Dentigerumycin B $$$$