HMDB0008861 RDKit 3D PE(14:1(9Z)/18:1(9Z)) 117116 0 0 0 0 0 0 0 0999 V2000 -13.4976 4.1257 3.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5528 3.0456 2.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5880 3.3555 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1644 3.4415 1.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2261 3.7410 0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2319 2.9866 0.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9102 1.7084 0.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9656 0.6222 -0.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6532 -0.6947 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5526 -1.8617 -0.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3741 -2.1320 -1.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7013 -1.1478 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8541 -0.1129 -1.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7032 -0.8120 -0.8614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5189 -2.0308 -1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8589 -0.1252 -0.0525 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -0.4455 0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -0.7861 -0.0141 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5401 -1.9796 -0.9100 C 0 0 0 0 0 0 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24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 28 1 0 28 29 1 0 29 30 2 0 29 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 2 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 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 0 17 74 1 0 18 75 1 6 19 76 1 0 19 77 1 0 23 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 27 83 1 0 27 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 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 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