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0 0 0 0 0 0 7.7722 4.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6723 3.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0361 1.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9421 -0.5631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6763 4.0580 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7522 1.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0322 2.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 0.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9295 -1.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7497 2.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9223 4.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7764 5.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9014 5.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8347 6.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8046 -1.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -2.5102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6324 5.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 6.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 5.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.6941 0.0000 C 0 0 2 0 0 0 0 0 0 0 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8.6422 2.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4046 -2.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4941 2.8073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3400 1.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4922 0.7766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3199 -1.5349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7137 -2.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6444 1.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3607 2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8550 2.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3095 4.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 3.9735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 5.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9877 6.2433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 6.6767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 6.6706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3855 -1.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6922 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7767 -2.8243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6254 -3.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8458 -2.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8512 4.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 5.2001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0793 4.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9202 6.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0699 7.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8560 6.1859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8920 6.2504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2816 5.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9111 5.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9312 -2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1542 6.4015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -5.3141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -4.8841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -6.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.8141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.3841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27 1 1 1 0 0 0 41 1 1 1 0 0 0 25 2 1 1 0 0 0 2 87 1 0 0 0 0 3 36 1 0 0 0 0 3 95 1 0 0 0 0 4 38 1 0 0 0 0 4 96 1 0 0 0 0 5 41 1 0 0 0 0 5 44 1 0 0 0 0 42 6 1 6 0 0 0 6101 1 0 0 0 0 43 7 1 1 0 0 0 7102 1 0 0 0 0 45 8 1 6 0 0 0 8103 1 0 0 0 0 9 46 1 0 0 0 0 9104 1 0 0 0 0 10 46 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 26 1 1 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 12 47 1 6 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 13 29 1 1 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 14 31 1 6 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 48 1 6 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 17 20 1 0 0 0 0 17 28 2 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 27 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 1 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 20 53 1 1 0 0 0 21 25 1 0 0 0 0 21 33 1 0 0 0 0 21 38 1 1 0 0 0 22 25 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 28 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 24 30 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 30 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 31 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 74 1 0 0 0 0 32 75 1 0 0 0 0 33 35 1 0 0 0 0 33 76 1 0 0 0 0 33 77 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 34 40 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 80 1 0 0 0 0 36 81 1 0 0 0 0 37 82 1 0 0 0 0 37 83 1 0 0 0 0 37 84 1 0 0 0 0 38 85 1 0 0 0 0 38 86 1 0 0 0 0 39 88 1 0 0 0 0 39 89 1 0 0 0 0 39 90 1 0 0 0 0 40 91 1 0 0 0 0 40 92 1 0 0 0 0 40 93 1 0 0 0 0 41 42 1 0 0 0 0 41 94 1 0 0 0 0 42 43 1 0 0 0 0 42 97 1 0 0 0 0 43 45 1 0 0 0 0 43 98 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 1 0 0 0 44 99 1 0 0 0 0 45100 1 0 0 0 0 M END > 67643958 > 1 > 1240 > 10 > 7 > 5 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAA0YMGCAAAAAADAAAAAGgAACAAADxSwgAMCCAAABgCIAiDSCAIAAAAgAAAACAFAAAgREBYAAQQiQAAFoAAPAAPK7PxPgAAAAAAAAADAAAYAADAAAAAAAAAAAA== > (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-2-oxanecarboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid > (2S,3S,4S,5R,6R)-6-[[(3S,4R,4aR,6aR,6bS,8S,8aS,12aS,14aR,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-4,8a-dimethylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid > InChI=1S/C36H58O10/c1-31(2)13-14-36(18-38)20(15-31)19-7-8-22-32(3)11-10-24(45-30-27(42)25(40)26(41)28(46-30)29(43)44)33(4,17-37)21(32)9-12-34(22,5)35(19,6)16-23(36)39/h7,20-28,30,37-42H,8-18H2,1-6H3,(H,43,44)/t20-,21+,22+,23-,24-,25-,26-,27+,28-,30+,32-,33-,34+,35+,36+/m0/s1 > MMWZRTLKIJFMKK-VEXFGUAASA-N > 4.4 > 650.40299804 > C36H58O10 > 650.8 > CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)CO)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)CO)C > C[C@]12CC[C@@H]([C@@]([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(C[C@@H]([C@@]5([C@H]4CC(CC5)(C)C)CO)O)C)C)(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O > 177 > 650.40299804 > 0 > 46 > 15 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 27 1 5 41 1 5 11 26 5 12 47 6 13 29 5 14 31 6 15 48 6 19 37 5 25 2 5 20 53 5 21 38 5 44 46 5 42 6 6 43 7 5 45 8 6 $$$$