HMDB0116726 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -13.7459 5.7074 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5486 5.1970 0.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9659 4.1412 1.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5994 2.9601 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7356 2.1826 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5558 1.7001 0.5563 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2980 1.9450 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8418 2.7421 -0.8578 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9762 2.0929 -1.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5633 0.8691 -1.8976 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8271 -0.2300 -1.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7899 -0.8713 -0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5407 -0.5883 -0.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7953 0.5065 -0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1666 1.4219 0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2338 0.7055 1.2659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1041 0.1033 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1177 -0.6129 1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3665 -0.6235 2.5955 O 0 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17 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 32 93 1 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 47115 1 0 48116 1 0 48117 1 0 49118 1 0 49119 1 0 50120 1 0 50121 1 0 51122 1 0 51123 1 0 52124 1 0 52125 1 0 52126 1 0 M END