HMDB0008957 RDKit 3D PE(16:1(9Z)/16:1(9Z)) 117116 0 0 0 0 0 0 0 0999 V2000 -10.7018 4.3860 -3.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0505 4.1796 -2.4196 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9278 3.2815 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3779 1.9465 -1.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1963 0.9680 -0.5112 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2425 1.5125 0.5417 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0706 0.5365 1.6046 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9050 0.0201 1.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6743 0.3675 1.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0728 -0.8972 0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7333 -1.9485 1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7436 -1.4629 2.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4746 -0.9936 2.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5172 -0.4868 3.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2451 0.0342 2.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5579 -1.0580 1.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5411 -1.5437 2.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9001 -1.5867 0.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2231 -2.6035 -0.1743 C 0 0 0 0 0 0 0 0 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1 0 26 27 1 0 27 28 1 0 28 29 1 0 20 30 1 0 30 31 1 0 31 32 2 0 31 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 2 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 6 60 1 0 7 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 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 19 77 1 0 19 78 1 0 20 79 1 6 21 80 1 0 21 81 1 0 25 82 1 0 27 83 1 0 27 84 1 0 28 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 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 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