HMDB0113557 RDKit 3D PE-NMe(22:1(13Z)/22:2(13Z,16Z)) 154153 0 0 0 0 0 0 0 0999 V2000 -10.3301 -1.4693 6.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4953 -0.3653 5.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5116 -0.4452 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6436 0.6520 3.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7100 0.5735 1.9516 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2242 -0.7172 1.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2124 -0.9426 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3116 -0.0420 0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3849 1.3890 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 2.2323 0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 1.8045 1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2796 2.3803 2.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0723 1.9320 3.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0781 2.5782 4.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8605 2.0319 5.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5841 2.2510 4.9462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1987 3.6945 4.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1192 3.6110 3.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7048 4.9521 3.5595 C 0 0 0 0 0 0 0 0 0 0 0 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25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 26101 1 0 26102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 50143 1 0 51144 1 0 51145 1 0 55146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 60153 1 0 60154 1 0 M END