HMDB0113063 RDKit 3D PE-NMe(16:1(9Z)/15:0) 119118 0 0 0 0 0 0 0 0999 V2000 12.9849 -4.7297 -1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2532 -3.8905 -2.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4872 -2.4078 -2.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9813 -2.0407 -0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4918 -2.3132 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0704 -1.9169 0.7521 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3303 -0.5114 1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4016 0.3478 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9802 0.0041 1.4563 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2308 0.8510 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 0.6049 0.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3649 -0.7843 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -1.1654 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0693 -1.1464 1.2674 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7945 0.0812 2.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2102 1.2084 1.2299 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9708 2.2826 1.8258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 1.1000 -0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 1.9299 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0850 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0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 20 31 1 0 31 32 1 0 32 33 2 0 32 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 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 0 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 30 88 1 0 30 89 1 0 30 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 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 47119 1 0 M END