HMDB0113168 RDKit 3D PE-NMe(18:2(9Z,12Z)/16:1(9Z)) 124123 0 0 0 0 0 0 0 0999 V2000 -16.0565 4.8673 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2085 4.2422 -0.4878 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1738 3.3386 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3050 2.6898 -0.8899 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2972 1.8000 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4084 1.1228 -1.0851 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1227 1.2974 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3699 2.1830 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4408 1.2703 0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1415 1.4439 0.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4320 2.4981 -0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5133 1.8971 -1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4826 0.9872 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5544 1.6781 0.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5732 0.6082 0.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 1.2249 1.7544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6800 0.1207 2.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0269 -0.4618 1.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1367 -0.0201 0.6946 O 0 0 0 0 0 0 0 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0 32 94 1 0 32 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END