HMDB0011459 RDKit 3D PE(P-18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -15.9268 4.7259 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1760 3.5234 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4450 2.3318 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5007 1.6743 -0.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0514 2.0156 -0.9379 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6069 2.2257 -2.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7210 1.5191 -2.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9484 0.3867 -2.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1066 -0.2077 -1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1940 -0.2729 -0.2346 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8375 0.2580 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5675 1.3254 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6368 1.2076 1.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7317 0.0677 1.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2851 0.4609 1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5148 -0.0901 0.6956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8782 -1.1257 -0.2893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0908 -2.3879 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 -2.2796 -0.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 -1.8497 -1.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 -1.7794 -1.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1134 -0.7732 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9252 0.0857 -0.2307 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -0.6607 -0.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 0.3696 0.6408 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6820 1.1824 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.5201 -0.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 -0.5512 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7577 -1.6427 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -1.5751 0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7267 -1.6927 1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 -2.8953 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5957 -3.5040 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2376 -2.8038 -1.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6206 -1.5564 -2.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4689 -1.0848 -3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0714 0.0553 -3.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9925 1.0168 -2.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4031 2.3131 -2.6882 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1953 3.2896 -1.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2929 3.8613 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1595 3.0022 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1562 3.9451 0.7616 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0084 3.0162 1.5911 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7465 2.0400 0.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 -0.1954 2.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5848 -0.7602 2.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -1.4421 3.9325 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6182 -0.8994 4.6853 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9776 -1.0236 4.7906 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 -3.1112 3.8618 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -3.6736 2.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8943 -5.1824 2.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -5.8850 1.7382 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.0277 4.6569 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9220 4.7904 0.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3787 5.6602 0.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1490 3.8069 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6039 3.3755 1.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4896 1.9983 -0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8500 0.7899 -1.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0386 3.0885 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5240 1.3673 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0837 3.0654 -2.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4908 1.8285 -3.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8489 0.5841 -2.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1338 -0.4233 -3.2879 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0749 -0.6978 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4348 -0.7571 0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -0.5630 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5753 0.7362 -1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1689 2.2440 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4975 2.0359 2.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7988 -0.1795 2.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9854 -0.8655 1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 1.2207 2.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 0.2645 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9312 -1.3874 -0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6189 -0.7376 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4141 -2.7831 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5233 -3.1441 -0.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 -3.3221 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -1.6063 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 -0.8453 -1.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5237 -2.6035 -2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2775 -1.6809 -2.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2797 -2.7800 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 1.0360 0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9109 2.0272 0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 1.7109 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 -0.5833 -2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8728 -2.4686 -1.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8237 -0.7111 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7998 -2.4668 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8682 -1.5812 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2263 -0.7399 0.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2335 -3.7175 1.4762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5611 -2.6782 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5797 -3.9108 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2388 -4.4873 -0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 -3.5543 -2.6316 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3152 -2.6252 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 -1.8734 -2.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4556 -0.8357 -1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 -1.7828 -4.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6764 0.3283 -4.3101 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0934 1.2158 -2.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5867 0.6545 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 2.1769 -3.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0379 2.7683 -3.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4180 2.8094 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5133 4.1409 -2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9640 4.4464 -1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8381 4.6879 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8940 2.4305 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6631 2.4168 0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7433 4.5179 0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 4.5771 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6974 3.5806 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3104 2.4502 2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6739 1.7257 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0676 2.5288 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1153 1.1454 0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5898 -0.9519 2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 0.5985 2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 -0.9693 4.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -3.3664 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1529 -3.4837 2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4529 -5.4733 3.7802 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 -5.4516 3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9219 -6.8040 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4627 -6.1078 1.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 25 88 1 1 26 89 1 0 26 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 50126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 M END