HMDB0113337 RDKit 3D PE-NMe(20:2(11Z,14Z)/14:0) 126125 0 0 0 0 0 0 0 0999 V2000 16.2113 2.4440 3.5855 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9430 2.0083 2.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2955 0.9307 3.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1031 0.2518 3.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8308 0.9623 2.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7847 2.0275 1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0554 1.9841 0.7224 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1899 0.8616 0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7923 1.3225 0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 0.8200 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8538 -0.2454 1.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0515 -1.4894 1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5888 -2.0593 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8757 -3.2894 -0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4261 -3.0933 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1204 -2.0751 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6144 -2.0439 -1.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 -1.0073 -2.8375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8945 -0.9056 -3.2194 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 23 87 1 0 24 88 1 0 25 89 1 0 25 90 1 0 29 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 34 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END