HMDB0011444 RDKit 3D PE(P-18:1(9Z)/18:3(9Z,12Z,15Z)) 124123 0 0 0 0 0 0 0 0999 V2000 -9.5348 3.6360 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9984 3.6410 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8837 3.8224 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8131 2.9984 0.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2435 1.7334 0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2109 0.5896 1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5927 -0.5200 1.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7801 -0.9245 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4380 -1.3628 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2922 -0.8721 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0172 0.2015 -0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2239 -0.1163 -2.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8404 -0.5824 -2.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7569 0.2285 -1.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6241 0.6016 -0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4024 -0.5510 0.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -1.3234 0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8970 -0.5478 0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9106 0.5817 1.1091 O 0 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29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 33 98 1 0 34 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 41115 1 0 42116 1 0 42117 1 0 46118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 M END