HMDB0114016 RDKit 3D PE-NMe2(18:1(11Z)/18:0) 137136 0 0 0 0 0 0 0 0999 V2000 -9.1849 -3.3428 -1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3314 -4.0139 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6466 -5.1923 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7627 -5.9404 -0.1453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6603 -5.0729 0.4324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8004 -4.4896 -0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1528 -5.5037 -1.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 -5.5792 -1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8562 -4.7049 -1.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8297 -5.4685 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 -6.4583 -1.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9787 -7.2372 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 -6.2799 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2347 -7.0361 0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3199 -6.1010 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8426 -5.2478 2.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9071 -4.2409 2.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1505 -3.3248 1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9501 -3.6664 0.6370 O 0 0 0 0 0 0 0 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0 31 32 1 0 31 33 1 0 22 34 1 0 34 35 1 0 35 36 2 0 35 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 32 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 33102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 53137 1 0 M END