HMDB0009607 RDKit 3D PE(22:4(7Z,10Z,13Z,16Z)/24:1(15Z)) 153152 0 0 0 0 0 0 0 0999 V2000 -2.0821 6.7437 -3.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0739 5.6856 -4.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4358 5.0262 -3.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5492 4.0050 -3.4443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1071 2.8871 -4.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 2.2506 -3.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3654 2.0620 -3.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 2.5258 -4.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5929 1.2924 -5.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8148 1.1212 -5.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8757 2.1507 -5.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9751 1.6943 -4.7652 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5491 2.2302 -3.7458 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3548 3.4702 -3.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3533 4.4537 -3.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4803 4.9019 -2.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3325 4.5572 -1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0154 4.0001 -0.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0065 3.7474 0.7831 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0029 2.7415 1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 2.5227 2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6104 2.0295 3.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2936 1.9600 4.4153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6358 1.6142 2.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3809 1.1553 2.6991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3374 -0.0311 3.5777 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1568 -0.3267 3.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8014 0.8115 4.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 0.4817 4.5525 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5688 0.1012 6.0202 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9705 -0.8448 3.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 1.8388 4.2488 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 2.5619 5.4135 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4756 3.7516 5.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 4.6144 4.1025 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8845 -1.2147 3.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 -2.0382 3.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0874 -1.6767 4.9346 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3302 -3.3037 3.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9262 -3.6549 1.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -3.8030 1.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1303 -4.1301 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -5.4315 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 -5.7981 -1.5596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0144 -5.8903 -1.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6082 -6.9426 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 -6.9483 -1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -7.9578 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2360 -8.0385 -0.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0635 -6.8388 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -6.1557 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 -5.5982 1.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7718 -4.3153 1.7952 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7574 -3.2695 1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0664 -2.2932 0.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -1.1582 0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1851 -0.2638 -0.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9572 0.9184 -1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1859 0.5309 -2.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8110 -0.2899 -3.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 0.5215 -4.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8183 6.8553 -4.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5228 7.6975 -3.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5152 6.4505 -2.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2783 6.2215 -4.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5754 5.0260 -4.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0284 5.8136 -2.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 4.5371 -2.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3114 4.4492 -4.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 3.6000 -2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7396 2.1690 -4.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4934 3.3320 -5.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6912 1.8745 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9764 1.5601 -2.7977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7539 3.2558 -4.5251 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2791 2.9060 -5.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8571 0.4705 -5.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1408 0.1644 -6.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4773 3.1391 -5.4463 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3345 2.2225 -6.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4108 0.6782 -5.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3934 1.5898 -3.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3012 3.2076 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3741 4.0299 -3.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3411 4.8804 -4.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 5.6460 -2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1375 3.9686 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3917 5.5783 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7279 3.0908 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1947 4.7617 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 3.5639 1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2597 4.7634 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 3.0316 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7985 1.7699 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7689 1.8802 3.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 3.5192 3.2173 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9247 2.0044 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6733 1.0340 1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7393 0.1514 4.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6529 -0.6535 2.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2965 -1.1239 4.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -0.6762 3.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 1.9715 6.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6486 2.9530 5.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6013 4.3381 5.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4560 3.4527 4.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0087 5.6262 4.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1631 4.4429 3.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4473 -3.1358 3.2444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1253 -4.1460 3.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3237 -2.9505 1.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3903 -4.6602 1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8538 -2.9061 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0904 -4.6957 2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 -3.3388 -0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0355 -4.0956 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 -6.2773 0.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8723 -5.4019 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8796 -4.9822 -2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0021 -6.7239 -1.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1822 -6.2970 -2.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4878 -4.9118 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1818 -7.9074 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -6.6965 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1990 -7.1932 -2.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4654 -5.9277 -1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3769 -8.9756 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 -7.9662 0.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -8.5276 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6285 -8.8052 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8464 -6.0630 -1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1249 -7.1553 -0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5578 -6.9754 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0187 -5.4346 0.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1029 -6.2309 1.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8247 -3.9628 2.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 -2.6808 2.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6933 -3.5576 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 -2.8058 -0.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1715 -1.8771 1.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 -0.5776 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8448 -1.5858 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7754 -0.8915 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3006 0.1334 -0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3279 1.4718 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3335 1.6344 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6428 1.4741 -2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8558 -0.0532 -1.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7559 -0.4577 -3.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 -1.2728 -3.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5869 -0.1237 -4.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9815 0.8490 -3.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4632 1.4159 -4.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 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 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 1 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 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 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M END