HMDB0113199 RDKit 3D PE-NMe(18:3(6Z,9Z,12Z)/18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -5.8393 -5.0783 4.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 -5.1599 5.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 -4.1313 5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 -4.3036 3.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 -3.2958 3.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8638 -3.3706 4.6926 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4965 -2.4062 5.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1055 -1.0426 5.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 -0.0754 5.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 0.6535 4.0654 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 0.6594 2.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4325 0.2221 1.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.9562 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 2.2857 0.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9672 2.7243 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0959 2.5623 -1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 1.3199 -2.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4957 0.1939 -2.3191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8395 -0.8019 -1.5571 O 0 0 0 0 0 0 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1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 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 43111 1 0 44112 1 0 44113 1 0 45114 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 51124 1 0 51125 1 0 52126 1 0 52127 1 0 52128 1 0 M END