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0 0 0 0 0 0 0 0 0 0 1.4030 6.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7469 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4789 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.3773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 5.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 11.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 10.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 10.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 12.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 6.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 9.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 9.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 9.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3138 6.7150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 5.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6129 14.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7469 14.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4789 14.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 17.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3138 18.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4188 9.4663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2838 10.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7649 9.5032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 8.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 8.4294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9779 10.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1309 10.8693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 10.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9040 8.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7509 8.0633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9779 8.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0114 11.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2144 11.8468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1908 11.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 11.6819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5708 10.8349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1269 9.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7469 9.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3669 9.8719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 9.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2099 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0114 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2144 2.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8705 5.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 6.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0044 6.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1269 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7469 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3669 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 1.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0158 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7889 2.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0158 11.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5335 6.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7365 6.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2269 6.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8469 5.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5380 6.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 11.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 11.2822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 13.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6584 12.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7168 5.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 9.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 9.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 8.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 7.2519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7769 7.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 6.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5599 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 4.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7999 5.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0114 15.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2144 15.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3483 13.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1454 13.9708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1689 13.9088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0158 14.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7889 14.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 13.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5828 6.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3439 14.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7813 17.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5784 17.4207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 18.9326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7769 18.7057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 17.8587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5828 18.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7288 8.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9557 9.7763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1088 10.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0158 9.2763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 60 1 0 0 0 0 2 15 1 0 0 0 0 2 74 1 0 0 0 0 3 18 1 0 0 0 0 3 80 1 0 0 0 0 4 24 1 0 0 0 0 4 81 1 0 0 0 0 5 29 1 0 0 0 0 5103 1 0 0 0 0 6 30 1 0 0 0 0 6104 1 0 0 0 0 7 37 1 0 0 0 0 7105 1 0 0 0 0 8 39 1 0 0 0 0 8111 1 0 0 0 0 9 41 1 0 0 0 0 9115 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 61 1 0 0 0 0 19 23 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 25 1 0 0 0 0 21 66 1 0 0 0 0 21 67 1 0 0 0 0 22 68 1 0 0 0 0 22 69 1 0 0 0 0 22 70 1 0 0 0 0 23 71 1 0 0 0 0 23 72 1 0 0 0 0 23 73 1 0 0 0 0 24 75 1 0 0 0 0 24 76 1 0 0 0 0 25 77 1 0 0 0 0 25 78 1 0 0 0 0 25 79 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 27 82 1 0 0 0 0 28 32 2 0 0 0 0 28 83 1 0 0 0 0 29 84 1 0 0 0 0 29 85 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 30 86 1 0 0 0 0 31 33 2 0 0 0 0 31 87 1 0 0 0 0 32 33 1 0 0 0 0 32 88 1 0 0 0 0 33 89 1 0 0 0 0 34 90 1 0 0 0 0 34 91 1 0 0 0 0 34 92 1 0 0 0 0 35 93 1 0 0 0 0 35 94 1 0 0 0 0 35 95 1 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 36 96 1 0 0 0 0 36 97 1 0 0 0 0 37 98 1 0 0 0 0 37 99 1 0 0 0 0 38100 1 0 0 0 0 38101 1 0 0 0 0 38102 1 0 0 0 0 39 40 1 0 0 0 0 39106 1 0 0 0 0 39107 1 0 0 0 0 40108 1 0 0 0 0 40109 1 0 0 0 0 40110 1 0 0 0 0 41112 1 0 0 0 0 41113 1 0 0 0 0 41114 1 0 0 0 0 M END > 70619457 > 1 > 154 > 9 > 9 > 6 > AAADcfB8PAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAACAAADVSgmAIyAIAAAgCAAiBCAAACAAAgAAAIiAAACIgINiKAERCAcAAkwAEImAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > butan-1-ol;butan-2-ol;ethanol;methanol;2-methylpropan-1-ol;2-methylpropan-2-ol;phenylmethanol;propan-1-ol;propan-2-ol > 1-butanol;2-butanol;ethanol;methanol;2-methyl-1-propanol;2-methyl-2-propanol;phenylmethanol;1-propanol;2-propanol > butan-1-ol;butan-2-ol;ethanol;methanol;2-methylpropan-1-ol;2-methylpropan-2-ol;phenylmethanol;propan-1-ol;propan-2-ol > butan-1-ol;butan-2-ol;ethanol;methanol;2-methylpropan-1-ol;2-methylpropan-2-ol;phenylmethanol;propan-1-ol;propan-2-ol > butan-1-ol;butan-2-ol;ethanol;methanol;2-methylpropan-1-ol;2-methylpropan-2-ol;phenylmethanol;propan-1-ol;propan-2-ol > butan-1-ol;butan-2-ol;ethanol;methanol;2-methylpropan-1-ol;2-methylpropan-2-ol;phenylmethanol;propan-1-ol;propan-2-ol > InChI=1S/C7H8O.4C4H10O.2C3H8O.C2H6O.CH4O/c8-6-7-4-2-1-3-5-7;1-4(2,3)5;1-4(2)3-5;1-3-4(2)5;1-2-3-4-5;1-3(2)4;1-2-3-4;1-2-3;1-2/h1-5,8H,6H2;5H,1-3H3;2*4-5H,3H2,1-2H3;5H,2-4H2,1H3;3-4H,1-2H3;4H,2-3H2,1H3;3H,2H2,1H3;2H,1H3 > JQRONOKWXIXPKH-UHFFFAOYSA-N > 602.53328393 > C32H74O9 > 602.9 > CCCCO.CCCO.CCC(C)O.CCO.CC(C)CO.CC(C)O.CC(C)(C)O.CO.C1=CC=C(C=C1)CO > CCCCO.CCCO.CCC(C)O.CCO.CC(C)CO.CC(C)O.CC(C)(C)O.CO.C1=CC=C(C=C1)CO > 182 > 602.53328393 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 9 > -1 > 1 5 255 > 26 27 8 26 28 8 27 31 8 28 32 8 18 3 3 31 33 8 32 33 8 $$$$