HMDB0113145 RDKit 3D PE-NMe(18:1(9Z)/18:3(9Z,12Z,15Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -3.6557 -3.7632 3.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6124 -3.0346 4.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0129 -1.9095 3.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0947 -0.6805 4.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8210 -0.3139 5.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 0.3230 6.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9532 1.4963 6.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9921 2.4571 6.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2485 2.3816 6.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7466 3.1575 5.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0323 4.3024 4.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8647 4.2261 3.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 3.0392 2.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 3.1408 1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 1.9764 0.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 0.6363 0.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 -0.4796 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9249 -0.4379 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8913 -0.2348 -2.0719 O 0 0 0 0 0 0 0 0 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1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 21 82 1 0 22 83 1 0 22 84 1 0 26 85 1 0 26 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 47120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END