HMDB0113338 RDKit 3D PE-NMe(20:2(11Z,14Z)/14:1(9Z)) 124123 0 0 0 0 0 0 0 0999 V2000 -12.4221 3.4359 -2.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3509 3.6892 -1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4665 2.8348 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3912 1.3439 -0.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4812 0.4859 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5366 -0.3490 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3025 -0.4838 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0685 -0.1361 0.7212 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1559 1.2578 1.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9612 1.5839 2.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6863 1.5112 1.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4948 1.8382 2.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2307 1.8132 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8818 0.5443 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8771 0.4118 -0.5736 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5277 -0.6083 1.3941 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1734 -1.8029 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7727 -2.2454 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1362 -1.2342 0.7074 O 0 0 0 0 0 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28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 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 40113 1 0 41114 1 0 41115 1 0 45116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END