HMDB0284948 RDKit 3D PE(DiMe(13,5)/18:3(9,11,15)-OH(13)) 141141 0 0 0 0 0 0 0 0999 V2000 -3.4158 -0.1238 -3.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.7660 -3.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0079 -1.6353 -1.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1592 -1.3801 -0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1335 -2.2465 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2048 -2.9307 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2219 -2.0080 0.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0265 -3.8651 1.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9842 -4.5642 2.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6573 -5.4740 3.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5488 -6.2019 4.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3122 -7.1275 5.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1184 -7.0871 5.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5547 -5.7487 6.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9932 -5.7595 6.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6331 -4.5907 7.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8086 -3.3051 6.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5812 -2.6054 5.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8689 -1.2424 5.3663 C 0 0 0 0 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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 1 0 19 20 2 0 19 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 27 28 1 0 28 29 1 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 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 41 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 22 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 49 39 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 22 89 1 6 23 90 1 0 23 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 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