HMDB0009020 RDKit 3D PE(18:1(11Z)/14:1(9Z)) 117116 0 0 0 0 0 0 0 0999 V2000 -9.1562 6.4038 -2.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2311 5.8750 -1.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8066 4.7571 -0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3005 3.5551 -1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3307 3.0300 -1.9217 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8178 1.8194 -1.8658 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3965 0.7627 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8573 -0.3666 -1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4049 -1.5929 -1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2747 -1.6780 -0.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2771 -0.9336 1.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0372 -1.3403 1.9901 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7637 -1.0252 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6248 -1.4619 2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 -1.8493 3.2703 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3397 -1.4545 1.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2707 -1.8878 2.4026 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0798 -0.9890 2.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6153 -0.9674 1.0178 O 0 0 0 0 0 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23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 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 17 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 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 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 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 17 73 1 1 18 74 1 0 18 75 1 0 22 76 1 0 22 77 1 0 23 78 1 0 23 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 43111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 M END