HMDB0114078 RDKit 3D PE-NMe2(18:2(9Z,12Z)/20:1(11Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -3.6534 -9.8176 -2.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6716 -8.8434 -1.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7194 -7.6137 -2.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6809 -6.6045 -1.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4511 -5.9144 -0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3745 -6.7456 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3492 -6.7873 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1328 -5.9651 1.1122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9297 -5.0317 2.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8861 -4.9630 3.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 -5.8621 2.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5706 -5.3877 2.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3645 -4.4406 3.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7743 -3.0324 3.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7686 -2.1717 4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 -0.7764 4.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 0.1486 3.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1263 -0.0943 2.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 -0.8764 2.9655 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3168 0.5794 1.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 0.2773 0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7904 0.9479 -0.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2434 2.3770 -0.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 3.2178 -0.1263 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7211 4.7871 0.0042 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.5825 5.7947 -0.0811 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7209 5.1466 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5885 5.1264 1.3812 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9342 4.9196 2.5695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 5.3220 3.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2736 6.6989 3.5881 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0941 6.9152 2.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0084 7.0954 4.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 0.8115 -1.6261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0709 -0.0280 -2.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 -0.7417 -2.6855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1411 -0.1172 -3.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 -1.3787 -4.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4718 -2.5977 -4.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -3.2300 -2.8096 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6371 -2.5760 -1.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 -2.1782 -1.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3473 -1.5300 -0.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7535 -1.0496 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1473 -0.0012 -1.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5371 0.4460 -0.8228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 1.6872 -0.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 2.8071 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1925 3.9104 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1828 5.0298 -1.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4295 6.1556 -2.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4145 7.2569 -2.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6282 8.4011 -2.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 9.4435 -2.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6791 10.6393 -3.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8507 -10.7951 -1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6244 -9.4755 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8962 -9.8738 -3.3444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4178 -8.6995 -0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6423 -9.4113 -1.6592 H 0 0 0 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1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 32 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 33102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M END