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1.0789 -0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6096 0.2418 1.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 0.8005 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6614 -1.1440 2.8674 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3001 -1.5680 1.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8841 -2.9188 0.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2312 -2.3786 1.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0953 -5.3485 3.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7805 0.2201 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1927 -2.3499 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7785 -1.3564 -3.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5494 0.7754 -0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6815 1.6091 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2622 -1.3827 -1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5235 -0.1769 -1.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1741 -1.0401 0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9485 -1.4472 0.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4033 1.0182 0.9833 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6534 1.3482 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2096 0.5224 3.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7566 0.4614 -3.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7744 -0.7579 -2.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3618 1.2984 -4.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 1.2404 -3.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3811 2.2520 -2.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3088 -1.1402 -2.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8488 4.4331 0.8668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 4.1913 -1.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 5.1447 -1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 3.4105 -1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 4.0713 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 3.5104 -0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6163 3.2351 2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6864 2.1673 -1.8245 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 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 37 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 42 44 2 0 0 0 0 44 45 1 0 0 0 0 38 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 19 49 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 15 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 11 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 1 62 1 0 0 0 0 2 63 1 0 0 0 0 2 64 1 0 0 0 0 3 65 1 0 0 0 0 3 66 1 0 0 0 0 4 67 1 0 0 0 0 4 68 1 0 0 0 0 5 69 1 0 0 0 0 5 70 1 0 0 0 0 6 71 1 0 0 0 0 6 72 1 0 0 0 0 7 73 1 0 0 0 0 7 74 1 0 0 0 0 10 75 1 0 0 0 0 11 76 1 6 0 0 0 14 77 1 0 0 0 0 15 78 1 1 0 0 0 18 79 1 0 0 0 0 19 80 1 1 0 0 0 22 81 1 0 0 0 0 23 82 1 6 0 0 0 24 83 1 0 0 0 0 24 84 1 0 0 0 0 25 85 1 0 0 0 0 25 86 1 0 0 0 0 26 87 1 0 0 0 0 26 88 1 0 0 0 0 30 89 1 0 0 0 0 33 90 1 0 0 0 0 34 91 1 0 0 0 0 34 92 1 0 0 0 0 37 93 1 0 0 0 0 38 94 1 1 0 0 0 39 95 1 0 0 0 0 39 96 1 0 0 0 0 40 97 1 0 0 0 0 40 98 1 0 0 0 0 41 99 1 0 0 0 0 41100 1 0 0 0 0 45101 1 0 0 0 0 48102 1 0 0 0 0 49103 1 6 0 0 0 50104 1 0 0 0 0 50105 1 0 0 0 0 50106 1 0 0 0 0 51107 1 0 0 0 0 52108 1 1 0 0 0 53109 1 0 0 0 0 53110 1 0 0 0 0 53111 1 0 0 0 0 54112 1 0 0 0 0 55113 1 6 0 0 0 56114 1 0 0 0 0 59115 1 0 0 0 0 M CHG 4 27 1 28 -1 42 1 43 -1 M END > NP0020691 > NP-MRD > [H]O\N=[N+](\[O-])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(N([H])C(=O)C([H])([H])N([H])C(=O)[C@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])[C@@]([H])(O[H])C(=O)O[H])[C@]([H])(O[H])C([H])([H])[H])[C@]([H])(O[H])C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[N+](\[O-])=N\O[H])C(=O)O[H] > InChI=1S/C32H56N10O17/c1-4-5-6-7-8-13-21(45)36-25(26(47)32(54)55)30(51)38-24(18(3)44)29(50)37-23(17(2)43)28(49)35-19(11-9-14-41(58)39-56)27(48)33-16-22(46)34-20(31(52)53)12-10-15-42(59)40-57/h17-20,23-26,43-44,47,56-57H,4-16H2,1-3H3,(H,33,48)(H,34,46)(H,35,49)(H,36,45)(H,37,50)(H,38,51)(H,52,53)(H,54,55)/b41-39-,42-40+/t17-,18-,19-,20-,23-,24+,25-,26-/m1/s1 > DGRANLNYVKAJEA-DDAPDXDOSA-N > C32H56N10O17 > 852.853 > 852.382490383 > 19 > 115 > 84.27543616165647 > 0 > 13 > 0 > 0 > (Z)-[(4R)-4-[(2R,3R)-2-[(2S,3R)-2-[(2R,3R)-3-carboxy-3-hydroxy-2-octanamidopropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-4-[({[(1R)-1-carboxy-4-[(E)-2-hydroxy-1-oxidodiazen-1-ium-1-yl]butyl]carbamoyl}methyl)carbamoyl]butyl](hydroxyimino)oxidoazanium > -0.64 > -7.663429666943494 > -3.78 > 0 > 0 > -2 > 3.7279989362427393 > 3.2077458893693587 > 427.21000000000004 > 199.28810000000007 > 30 > 0 > 1.43e-01 g/l > (Z)-[(4R)-4-[(2R,3R)-2-[(2S,3R)-2-[(2R,3R)-3-carboxy-3-hydroxy-2-octanamidopropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-4-[({[(1R)-1-carboxy-4-[(E)-2-hydroxy-1-oxidodiazen-1-ium-1-yl]butyl]carbamoyl}methyl)carbamoyl]butyl](hydroxyimino)oxidoazanium > 0 > NP0020691 > Trinickiabactin $$$$