HMDB0113314 RDKit 3D PE-NMe(20:1(11Z)/18:1(11Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -18.0761 1.8372 1.7556 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8369 1.2611 1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8581 2.3747 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6371 1.8237 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9622 1.1588 -1.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6048 0.6600 -1.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7985 1.8599 -1.9118 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6540 2.0598 -1.3241 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0395 1.0941 -0.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6751 0.7463 -1.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9412 -0.2295 -0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6079 -0.5121 -0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8075 0.7664 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5228 1.4136 0.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6879 0.5016 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4060 1.1094 2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.3188 3.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1440 0.1350 2.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2368 -0.3925 3.5879 O 0 0 0 0 0 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21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 15 83 1 0 16 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 0 27 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 36110 1 0 37111 1 0 37112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 49130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 54136 1 0 54137 1 0 54138 1 0 M END