HMDB0113402 RDKit 3D PE-NMe(20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) 132131 0 0 0 0 0 0 0 0999 V2000 0.4251 -0.4323 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 1.0303 0.8659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0955 1.3351 2.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 0.9913 2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5356 1.6220 1.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 1.4354 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3224 2.4005 -0.8343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3087 3.8513 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 4.4826 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 5.4834 -1.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4632 6.2338 -2.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5521 6.1876 -3.8236 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 5.8174 -4.6141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2793 5.3814 -4.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 4.0464 -4.7003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1235 3.5934 -6.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 3.1154 -6.4963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5781 1.8605 -5.6427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 0.7681 -6.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7407 -0.4375 -5.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3352 -0.4178 -4.0751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1846 -1.6554 -5.5826 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2065 -2.8244 -4.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8107 -2.8758 -3.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2909 -1.5470 -3.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6472 -1.6678 -2.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1882 -0.1303 -2.4173 P 0 0 0 0 0 5 0 0 0 0 0 0 3.5803 -0.0453 -0.9421 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0185 1.0472 -2.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5529 0.3322 -3.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 1.7377 -3.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 2.1516 -4.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7553 1.5936 -5.5835 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9306 1.9805 -6.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 -3.9120 -2.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 -4.9867 -2.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 -5.0960 -3.4217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3963 -6.0672 -1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9702 -5.4732 -0.3508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 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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 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 0 25 91 1 0 25 92 1 0 29 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 34101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M END