HMDB0011456 RDKit 3D PE(P-18:1(9Z)/22:2(13Z,16Z)) 138137 0 0 0 0 0 0 0 0999 V2000 -5.7106 -0.3257 7.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1106 1.0166 8.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5660 2.1155 7.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2495 1.8931 5.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7373 1.7452 5.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9904 2.8939 6.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2358 3.6356 5.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 3.3757 3.8387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 4.6383 3.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 5.3594 2.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 4.9800 2.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0615 4.6822 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 5.6748 -0.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1253 6.4347 -0.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 7.3569 -1.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3157 6.5232 -3.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 5.6913 -3.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 4.7586 -4.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 4.1151 -5.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 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25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 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 1 0 36 37 2 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 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 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 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 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 20 90 1 0 20 91 1 0 21 92 1 0 21 93 1 0 25 94 1 6 26 95 1 0 26 96 1 0 28 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 35110 1 0 36111 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 45127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 50132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 M END