HMDB0113014 RDKit 3D PE-NMe(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 124123 0 0 0 0 0 0 0 0999 V2000 17.2509 1.2969 -2.7318 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3544 1.1007 -1.5127 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0278 1.4758 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6075 2.3999 0.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3783 3.1929 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4336 3.0359 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 2.5793 1.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6180 2.1387 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2189 0.7374 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9922 0.3141 0.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8650 1.2217 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0668 0.8356 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8008 0.5477 -1.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0599 0.5791 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4095 -0.7569 0.2304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1088 -0.8175 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1843 0.3210 0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 0.1918 -0.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 1.4300 -0.7216 C 0 0 0 0 0 0 0 0 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89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 47116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 52122 1 0 52123 1 0 52124 1 0 M END