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0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9702 -2.8090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0747 -1.8145 0.0000 C 0 4 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7395 -1.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 -2.3962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 -0.8962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -1.8962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -0.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7424 -1.7462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2219 -1.0387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6052 -0.5221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9947 -0.0097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2926 -3.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0286 3.1313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0724 0.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4558 1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2482 0.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8456 -2.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1194 1.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5377 2.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 1.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6417 -0.5837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5943 -1.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5303 -3.9350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8609 -4.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 3.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 2.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5490 -2.5868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6117 -1.5045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3409 -1.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2025 -2.1245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9212 1.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3030 -3.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -3.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 1 20 2 0 0 0 0 1 21 2 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 2 23 2 0 0 0 0 2 24 2 0 0 0 0 31 3 1 6 0 0 0 37 3 1 1 0 0 0 4 27 1 0 0 0 0 4 39 1 0 0 0 0 5 35 1 0 0 0 0 5 37 1 0 0 0 0 6 29 1 0 0 0 0 6 40 1 0 0 0 0 7 30 1 0 0 0 0 7 41 1 0 0 0 0 8 33 1 0 0 0 0 8 43 1 0 0 0 0 34 9 1 1 0 0 0 44 9 1 1 0 0 0 36 10 1 1 0 0 0 32 11 1 1 0 0 0 11 75 1 0 0 0 0 38 12 1 6 0 0 0 42 13 1 6 0 0 0 13 80 1 0 0 0 0 14 44 1 0 0 0 0 14 48 1 0 0 0 0 15 45 1 0 0 0 0 15 81 1 0 0 0 0 46 16 1 6 0 0 0 16 84 1 0 0 0 0 49 17 1 1 0 0 0 17 85 1 0 0 0 0 47 18 1 1 0 0 0 25 50 1 0 0 0 0 25 86 1 0 0 0 0 26 28 1 6 0 0 0 26 29 1 0 0 0 0 26 33 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 6 0 0 0 27 32 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 42 1 0 0 0 0 29 55 1 6 0 0 0 30 34 1 0 0 0 0 30 36 1 0 0 0 0 30 56 1 1 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 40 1 0 0 0 0 33 60 1 1 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 35 41 1 0 0 0 0 35 61 1 6 0 0 0 36 37 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 38 39 1 0 0 0 0 38 64 1 0 0 0 0 39 45 1 6 0 0 0 39 65 1 0 0 0 0 40 66 1 0 0 0 0 40 67 1 0 0 0 0 41 68 1 0 0 0 0 41 69 1 0 0 0 0 42 43 1 0 0 0 0 42 70 1 0 0 0 0 43 71 1 0 0 0 0 44 46 1 0 0 0 0 44 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 46 47 1 0 0 0 0 46 76 1 0 0 0 0 47 49 1 0 0 0 0 47 77 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 1 0 0 0 48 78 1 0 0 0 0 49 79 1 0 0 0 0 50 82 1 0 0 0 0 50 83 1 0 0 0 0 M CHG 2 19 -1 22 -1 M RAD 2 18 2 43 2 M END > 25074892 > 1 > 1350 > 22 > 6 > 10 > AAADcfB4PgBgAAAAAAAAAAAAAAAAASJAAAAkSJEgBIkAAAAAAAAAGgAACAAADRSwgAMACAAABgAAAAAAADAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHA4PwOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > InChI=1S/C25H38O23S2/c26-2-10-14(29)16(31)17(32)24(43-10)45-19-13-6-41-22(19)23(48-50(36,37)38)25(44-13)46-21-15(30)9(42-11(3-27)20(21)47-49(33,34)35)1-7-12-5-40-18(7)8(28)4-39-12/h4,7-30,32H,1-3,5-6H2,(H,33,34,35)(H,36,37,38)/p-2/t7-,8-,9-,10+,11+,12+,13+,14-,15-,16-,17+,18-,19-,20-,21+,22-,23+,24-,25+/m0/s1 > UORVAXJSAXQLGB-YMWNLAQTSA-L > -6.8 > 768.10887974 > C25H36O23S2-2 > 768.7 > C1C2C(C(O1)C([CH]O2)O)CC3C(C(C(C(O3)CO)OS(=O)(=O)[O-])OC4C(C5C(C(O4)CO5)OC6C(C(C(C(O6)CO)O)[O])O)OS(=O)(=O)[O-])O > C1[C@@H]2[C@@H]([C@H](O1)[C@H]([CH]O2)O)C[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)OS(=O)(=O)[O-])O[C@@H]4[C@@H]([C@@H]5[C@H]([C@H](O4)CO5)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)[O])O)OS(=O)(=O)[O-])O > 346 > 768.10887974 > -2 > 50 > 19 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 36 10 5 32 11 5 38 12 6 42 13 6 46 16 6 49 17 5 47 18 5 26 28 6 27 28 6 29 55 6 31 3 6 37 3 5 30 56 5 33 60 5 35 61 6 39 45 6 48 50 5 34 9 5 44 9 5 $$$$