HMDB0113321 RDKit 3D PE-NMe(20:1(11Z)/20:1(11Z)) 144143 0 0 0 0 0 0 0 0999 V2000 15.7080 -0.5510 5.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2541 -0.5551 4.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1149 0.0339 3.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7627 1.4004 3.6557 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6922 2.0468 2.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8422 2.3632 1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0145 1.3962 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9373 0.4159 0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5003 -0.4973 1.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2793 -0.5885 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1631 0.2552 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1197 -0.6161 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 0.1275 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1204 0.9036 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0048 1.5811 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1552 0.6886 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2444 -0.2942 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -1.2225 0.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 -2.2847 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4373 -1.6040 1.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -1.1930 2.5466 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.4158 0.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2068 -0.8256 0.5607 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.8902 -0.8609 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5601 -0.0866 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1807 -0.1753 -3.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2614 0.7744 -3.9906 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6775 0.5758 -3.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7971 2.4000 -3.7063 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0905 0.4057 -5.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2926 0.1957 -5.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4809 -0.1310 -7.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 -0.3632 -7.6725 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7065 0.7867 -7.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6888 -0.4222 -0.9703 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7021 -1.2983 -1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 -2.5040 -1.5043 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 -0.7301 -1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9772 -1.8851 -1.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3524 -1.6914 -2.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3828 -0.9979 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1278 0.4354 -1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2945 1.1500 -0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5168 1.1455 -1.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6186 1.9320 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8430 1.9945 -1.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7066 0.9570 -1.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8730 -0.2627 -1.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2985 -1.1663 -0.6148 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4625 -0.8985 0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2140 -0.0999 1.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3817 -0.8963 2.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1203 -0.1165 3.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2118 0.2202 4.3669 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6740 -1.0771 4.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7772 -0.6962 6.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 0.4193 5.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5907 -0.6679 5.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1096 -1.3762 6.1085 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3595 -1.6056 3.7353 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1 0 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 25 97 1 0 25 98 1 0 29 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 34105 1 0 34106 1 0 34107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 54138 1 0 54139 1 0 55140 1 0 55141 1 0 56142 1 0 56143 1 0 56144 1 0 M END