HMDB0009085 RDKit 3D PE(18:2(9Z,12Z)/14:0) 117116 0 0 0 0 0 0 0 0999 V2000 13.6888 2.1457 -2.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6072 2.1402 -0.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5344 0.7075 -0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4782 0.6620 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2637 1.3676 1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0038 0.7906 1.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0706 0.2385 1.9094 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1417 0.1130 3.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1720 0.7180 4.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1402 1.4662 3.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7383 1.8793 2.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 1.3120 2.2204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0794 1.8328 0.8528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 1.2902 0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8553 -0.2033 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6325 -0.8333 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -0.6121 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -1.3117 -0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 -0.6440 -1.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 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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 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 0 21 80 1 0 22 81 1 1 23 82 1 0 23 83 1 0 27 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 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 47117 1 0 M END