HMDB0113178 RDKit 3D PE-NMe(18:2(9Z,12Z)/20:2(11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 17.2249 -0.7911 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1452 -1.2499 -1.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2879 -2.4606 -1.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9008 -2.4151 -1.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9169 -1.4820 -1.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1390 -0.0477 -1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3687 0.8182 -0.9066 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1241 0.3896 -0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0253 1.1649 -0.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2560 1.9850 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4366 2.1902 1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3215 1.8413 2.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0569 2.5660 2.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2133 2.6288 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7163 1.3660 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8646 0.5048 1.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6325 1.1906 1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8388 0.2013 2.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 -0.9549 1.7493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5011 -0.4050 0.6754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 0.1688 -0.2997 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 -0.4771 0.6714 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2478 0.0251 -0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 0.7813 0.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 1.3121 -0.7680 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 1.9124 -0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 1.9243 0.7599 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7945 2.5298 -1.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2054 2.5865 -0.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1567 3.2682 -1.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5630 3.2274 -1.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0411 1.7965 -1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4331 1.6234 -0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6164 2.0556 0.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7400 1.2783 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1557 0.4844 2.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6209 0.2766 2.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8982 -1.1572 2.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7259 -1.6718 1.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5153 -0.8422 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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 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 24 91 1 0 24 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 44123 1 0 45124 1 0 45125 1 0 49126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M END