HMDB0114132 RDKit 3D PE-NMe2(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) 127126 0 0 0 0 0 0 0 0999 V2000 4.1663 -1.4086 -9.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1803 -0.3499 -9.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 0.7860 -10.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8478 2.0033 -9.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9376 2.4915 -8.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6896 3.1378 -7.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 2.8324 -6.2982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7483 1.8293 -5.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6053 0.9008 -4.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5910 -0.3849 -4.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6722 -1.1126 -5.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8491 -2.0244 -4.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 -2.8503 -5.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 -2.1442 -6.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 -1.2313 -5.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 -2.0408 -4.4158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 -1.3116 -3.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9921 -0.2062 -2.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8601 0.2113 -3.0416 O 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0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 21 84 1 0 22 85 1 0 23 86 1 0 23 87 1 0 27 88 1 0 29 89 1 0 29 90 1 0 30 91 1 0 30 92 1 0 32 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 33 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 48116 1 0 49117 1 0 49118 1 0 50119 1 0 50120 1 0 51121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 53127 1 0 M END