HMDB0113156 RDKit 3D PE-NMe(18:1(9Z)/22:1(13Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -3.2106 5.5046 5.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 4.1049 5.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0477 3.2658 4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2994 1.9030 4.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6406 0.8327 3.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5727 0.8597 2.7902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4089 -0.3684 1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 -0.1252 0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0001 -1.3880 0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 -1.8577 0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4585 -1.2155 0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -1.9610 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5840 -1.0259 1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 -0.8773 0.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 -2.1613 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5929 -2.2186 -1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3234 -1.0054 -1.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3827 -1.3841 -3.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6416 -0.3299 -4.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 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1 0 21 97 1 0 25 98 1 0 26 99 1 0 26100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 51136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 55141 1 0 56142 1 0 56143 1 0 56144 1 0 M END