HMDB0009601 RDKit 3D PE(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)) 145144 0 0 0 0 0 0 0 0999 V2000 5.9191 3.6976 7.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5382 3.4888 7.9403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3389 2.0581 8.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4924 1.0888 7.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4854 1.3886 6.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 0.4462 4.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 0.7728 3.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1384 2.1503 3.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 2.5762 2.3053 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5283 2.8776 1.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9253 2.8241 0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4150 4.1127 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8334 4.2122 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8446 3.0559 -2.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 3.3540 -3.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2002 3.3264 -4.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5033 3.0084 -4.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3354 1.6949 -5.8023 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0116 0.6068 -4.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6848 -0.7237 -5.3447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4343 -0.8078 -6.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2284 -0.4566 -5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4532 -0.0284 -4.2087 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9185 -0.5395 -5.7443 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8723 -0.1553 -4.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 -1.0137 -3.6541 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4629 -2.4132 -4.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -2.4524 -4.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -4.0687 -4.9689 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6858 -4.1019 -6.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3814 -4.6616 -3.9436 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2159 -5.0403 -4.8267 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -5.4549 -6.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -6.3344 -5.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5281 -7.5106 -5.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.5667 -2.6728 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3949 -0.2714 -1.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6484 -0.4796 -1.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 0.2134 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -0.7861 0.8766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -1.3452 1.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5931 -2.2266 2.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2804 -3.4127 2.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7349 -3.2623 2.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -2.7692 4.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9525 -1.5102 4.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -1.3373 5.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2469 -1.0887 5.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 0.2423 5.1707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1688 0.8557 3.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8109 1.1523 2.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2522 0.8645 2.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9131 2.1967 2.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5531 2.5516 1.4604 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7131 1.6904 0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9959 2.4122 -0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 2.5608 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7052 3.2587 -1.5174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2772 3.3088 -1.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7929 3.7010 6.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 2.8224 7.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3491 4.6420 7.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4965 4.1164 8.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7937 3.8672 7.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 1.9556 8.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0544 1.8348 9.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 0.0650 7.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5045 0.9864 6.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4712 1.2072 6.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 2.4406 5.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4437 -0.6194 5.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9666 -0.0115 3.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9275 2.8639 4.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 2.3144 3.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0886 2.6240 2.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 3.1961 0.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 2.0858 -0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 2.4335 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 4.9764 0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1824 5.1766 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7955 2.0666 -1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9089 3.0991 -2.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8289 3.6254 -2.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 3.5718 -5.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3655 2.9647 -4.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7191 3.7828 -5.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2816 1.5096 -6.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 1.8765 -6.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 1.0582 -4.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0104 0.4974 -4.2036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -0.9797 -6.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7363 -1.5500 -4.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5159 -0.0435 -6.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3203 -1.7693 -6.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9827 0.9426 -4.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1067 -0.2087 -5.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8817 -1.0961 -3.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.8409 -4.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4607 -3.0316 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4288 -4.1278 -3.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1910 -6.0396 -6.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8516 -4.5518 -6.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1293 -6.6673 -7.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6966 -5.8121 -5.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 -7.2579 -4.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 -8.0293 -5.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4164 0.4639 -0.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0513 1.1441 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 -0.2467 1.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 -1.5647 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2024 -1.8225 0.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2534 -0.4589 1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 -2.6806 2.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6309 -1.6004 3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 -4.1402 3.3941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1066 -3.9583 1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -2.7910 1.9002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1424 -4.3481 2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -2.6995 3.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 -3.5730 4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 -0.6323 4.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9115 -1.5607 5.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6454 -2.1852 6.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 -0.3946 6.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7518 -1.8585 5.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7873 -1.1995 6.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4209 0.9646 6.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8374 0.2342 5.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 1.1784 4.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2388 1.6374 2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7338 0.3506 3.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3282 0.2452 1.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8663 2.9461 3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0087 3.5485 1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4584 0.6524 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8108 1.7932 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4595 3.3987 -0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0757 1.8077 -1.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1145 1.5496 -0.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5166 3.1595 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6986 2.7093 -2.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0646 4.2987 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0276 4.3615 -0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 2.9211 -1.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 2.7451 -0.0672 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 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 27 99 1 0 31100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 49127 1 0 49128 1 0 50129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M END