HMDB0285016 RDKit 3D PE(DiMe(9,3)/18:1(12Z)-2OH(9,10)) 128128 0 0 0 0 0 0 0 0999 V2000 13.3377 1.1957 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4939 -0.2539 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2010 -0.9920 -0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4261 -2.4315 0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 -3.1555 0.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1072 -2.4382 0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0245 -1.8229 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6327 -1.7719 -0.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2140 -2.4280 -0.9854 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4831 -3.7665 -0.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8501 -2.4169 -2.4223 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9275 -3.5827 -2.5588 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9199 -1.3162 -2.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 0.1036 -2.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 0.7158 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 0.6314 -0.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 1.2161 -0.7153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 0.5960 -1.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7623 1.3350 -2.0598 C 0 0 0 0 0 0 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9 70 1 1 10 71 1 0 11 72 1 6 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 1 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 41113 1 0 43114 1 0 43115 1 0 43116 1 0 45117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 50122 1 0 52123 1 0 52124 1 0 53125 1 0 53126 1 0 54127 1 0 54128 1 0 M END