HMDB0008974 RDKit 3D PE(16:1(9Z)/22:1(13Z)) 135134 0 0 0 0 0 0 0 0999 V2000 -15.5882 -0.6081 1.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1251 -0.2965 0.2371 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9963 0.7569 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6381 0.9606 -1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5865 1.9505 -1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2145 1.6978 -0.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6489 0.4381 -1.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2711 -0.5015 -0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3789 -0.3708 0.9122 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0062 -0.4909 1.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0602 0.5748 1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7613 0.3995 1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7263 1.4227 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3521 1.3421 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3464 2.3761 -0.4006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 2.2114 0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8553 1.2827 1.1493 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 3.0952 0.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7627 3.1583 0.6765 C 0 0 0 0 0 0 0 0 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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 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 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 19 83 1 0 19 84 1 0 20 85 1 1 21 86 1 0 21 87 1 0 25 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 53135 1 0 M END