HMDB0113442 RDKit 3D PE-NMe(20:4(5Z,8Z,11Z,14Z)/22:1(13Z)) 144143 0 0 0 0 0 0 0 0999 V2000 -17.7183 -5.0343 -0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3746 -5.1163 -1.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5547 -3.9041 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3421 -3.7844 0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5149 -2.5640 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1442 -1.3120 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5466 -0.4810 -0.6358 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1899 -0.6629 -1.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3634 0.4657 -0.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2734 0.3318 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7370 -0.9974 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7346 -1.0275 1.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6983 -1.1942 2.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3254 -1.3840 2.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4456 -0.3111 2.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7506 0.5432 1.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6827 0.6334 0.4957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2523 0.4335 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1090 0.5586 -1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6488 0.3246 -1.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3512 -0.7314 -2.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 1.1801 -1.3826 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2676 0.9644 -1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 2.1225 -1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8009 2.2009 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1470 2.3701 0.7506 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 2.4535 2.4092 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2305 1.1935 2.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 2.4157 3.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 3.7651 2.7146 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7449 4.9284 3.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7607 6.0033 3.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 7.2786 3.5671 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 7.8240 2.4333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8523 1.9402 -1.2627 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 2.8372 -1.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2127 3.9179 -2.2660 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1156 2.4365 -2.0601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7852 3.5929 -2.7391 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 3.3419 -2.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3920 2.1326 -3.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 1.8647 -4.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6895 1.6035 -2.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2378 0.4103 -2.1755 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1692 0.2372 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7558 -0.9517 -0.1678 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6733 -1.1590 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 -1.3900 0.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0073 -1.5969 1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7254 -2.6951 1.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7316 -3.8555 1.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0265 -4.2942 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7846 -3.3763 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2568 -2.1093 0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0818 -1.2944 -0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3144 -1.9428 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3944 -2.2523 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1494 -3.1855 0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5322 -5.3065 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8902 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1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 25 93 1 0 25 94 1 0 29 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 34102 1 0 34103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 53132 1 0 53133 1 0 54134 1 0 54135 1 0 55136 1 0 55137 1 0 56138 1 0 56139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 58144 1 0 M END