HMDB0113119 RDKit 3D PE-NMe(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -12.5302 3.2808 2.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0849 2.4580 1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7953 3.0922 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1295 2.6348 -0.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4787 1.3320 -0.9732 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5774 0.3150 0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6396 -0.1753 0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2319 0.1363 0.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6513 1.1639 -0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7189 0.9532 -0.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1362 -0.3278 -1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7305 -0.5999 -1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7548 0.1619 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9024 1.5239 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2771 2.6414 -0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8783 2.9737 -1.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8864 2.0561 -1.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 0.9613 -0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7068 0.9402 0.4699 O 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81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 31 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 36102 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 42115 1 0 43116 1 0 43117 1 0 47118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END