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0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -1.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 -3.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -8.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -9.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -9.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -9.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 6.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 7.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 8.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 8.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 9.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -0.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -5.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -4.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -6.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -6.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -8.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -7.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -7.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -10.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 5.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 5.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 7.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 8.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -10.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9893 8.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 10.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 44 1 0 0 0 0 2 46 1 0 0 0 0 3 35 1 0 0 0 0 19 4 1 6 0 0 0 4 60 1 0 0 0 0 20 5 1 6 0 0 0 5 61 1 0 0 0 0 21 6 1 1 0 0 0 6 62 1 0 0 0 0 22 7 1 1 0 0 0 7 63 1 0 0 0 0 8 23 1 0 0 0 0 8 25 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 10 32 1 0 0 0 0 10 41 1 0 0 0 0 11 39 2 0 0 0 0 12 45 1 0 0 0 0 12 80 1 0 0 0 0 13 45 2 0 0 0 0 14 51 1 0 0 0 0 14 82 1 0 0 0 0 15 51 2 0 0 0 0 16 33 1 0 0 0 0 16 39 1 0 0 0 0 16 69 1 0 0 0 0 17 37 2 0 0 0 0 17 43 1 0 0 0 0 18 46 2 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 22 24 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 30 2 0 0 0 0 27 31 2 0 0 0 0 27 64 1 0 0 0 0 28 32 2 0 0 0 0 28 65 1 0 0 0 0 29 34 1 0 0 0 0 30 35 1 0 0 0 0 30 66 1 0 0 0 0 31 36 1 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 36 68 1 0 0 0 0 37 38 1 0 0 0 0 38 40 2 0 0 0 0 38 70 1 0 0 0 0 39 44 1 0 0 0 0 40 42 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 42 43 2 0 0 0 0 42 45 1 0 0 0 0 43 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 78 1 0 0 0 0 48 49 1 0 0 0 0 48 79 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 50 81 1 0 0 0 0 M END > 70680601 > 1 > 1140 > 16 > 7 > 17 > AAADceB/PQBEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHwYQCAAADB7l3i6+z5LIFgioAzX3XACC2CB1L3AI2Dk/b9gPN/vlt5uHeajn1BX7+cf4+f+eAGABCAIAGAAAwAIQBAAwAAAAAAAAAA== > 6-[3-[(2R,3R,4R,5R)-6-[4-[[2-[(5-carboxy-2-pyridyl)sulfanyl]acetyl]amino]-2-chloro-5-methoxy-phenoxy]-2,3,4,5-tetrahydroxy-hexoxy]-5-fluoro-phenyl]pyridine-3-carboxylic acid > 6-[3-[(2R,3R,4R,5R)-6-[4-[[2-[(5-carboxy-2-pyridinyl)thio]-1-oxoethyl]amino]-2-chloro-5-methoxyphenoxy]-2,3,4,5-tetrahydroxyhexoxy]-5-fluorophenyl]-3-pyridinecarboxylic acid > 6-[3-[(2R,3R,4R,5R)-6-[4-[[2-(5-carboxypyridin-2-yl)sulfanylacetyl]amino]-2-chloro-5-methoxyphenoxy]-2,3,4,5-tetrahydroxyhexoxy]-5-fluorophenyl]pyridine-3-carboxylic acid > 6-[3-[(2R,3R,4R,5R)-6-[4-[2-(5-carboxypyridin-2-yl)sulfanylethanoylamino]-2-chloranyl-5-methoxy-phenoxy]-2,3,4,5-tetrakis(oxidanyl)hexoxy]-5-fluoranyl-phenyl]pyridine-3-carboxylic acid > 6-[3-[(2R,3R,4R,5R)-6-[4-[[2-[(5-carboxy-2-pyridyl)thio]acetyl]amino]-2-chloro-5-methoxy-phenoxy]-2,3,4,5-tetrahydroxy-hexoxy]-5-fluoro-phenyl]nicotinic acid > InChI=1S/C33H31ClFN3O12S/c1-48-27-10-26(21(34)9-23(27)38-28(41)15-51-29-5-3-17(12-37-29)33(46)47)50-14-25(40)31(43)30(42)24(39)13-49-20-7-18(6-19(35)8-20)22-4-2-16(11-36-22)32(44)45/h2-12,24-25,30-31,39-40,42-43H,13-15H2,1H3,(H,38,41)(H,44,45)(H,46,47)/t24-,25-,30-,31-/m1/s1 > HTDBANWISVPXTR-KWINWIPXSA-N > 747.1301 > C33H31ClFN3O12S > 748.128543 > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OCC(C(C(C(COC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F)O)O)O)O > COC1=CC(=C(C=C1NC(=O)CSC2=NC=C(C=C2)C(=O)O)Cl)OC[C@H]([C@H]([C@@H]([C@@H](COC3=CC(=CC(=C3)C4=NC=C(C=C4)C(=O)O)F)O)O)O)O > 263 > 747.1301 > 0 > 51 > 4 > 0 > 0 > 0 > 0 > 1 > 3 > 1 5 255 > 17 37 8 17 43 8 18 46 8 18 50 8 25 28 8 25 29 8 26 27 8 26 30 8 27 31 8 28 32 8 29 34 8 30 35 8 31 36 8 32 33 8 33 34 8 35 36 8 37 38 8 38 40 8 19 4 6 40 42 8 42 43 8 46 47 8 47 48 8 48 49 8 49 50 8 20 5 6 21 6 5 22 7 5 $$$$