HMDB0009089 RDKit 3D PE(18:2(9Z,12Z)/16:1(9Z)) 121120 0 0 0 0 0 0 0 0999 V2000 9.3373 -0.3245 3.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3653 -1.4221 3.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4344 -1.0384 2.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7566 -0.8600 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7101 -0.4667 -0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3932 0.7956 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3046 1.8393 -0.5928 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5066 1.8357 -1.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4931 2.9070 -1.8211 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2278 2.7262 -1.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5942 1.3788 -1.9731 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 1.3200 -0.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9703 0.0129 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1647 -0.2459 -1.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3489 -1.5075 -1.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 -1.3921 -0.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5157 -0.1902 -0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4720 -0.0471 0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2146 -0.8829 0.9706 O 0 0 0 0 0 0 0 0 0 0 0 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1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 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 2 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 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 0 21 82 1 0 22 83 1 1 23 84 1 0 23 85 1 0 27 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END