HMDB0009692 RDKit 3D PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z)) 137136 0 0 0 0 0 0 0 0999 V2000 18.0415 3.3680 -0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6220 3.9143 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8807 3.5302 -1.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8023 2.7937 -1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2106 2.2555 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1422 0.7572 -0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0181 0.0946 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 0.8342 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8463 0.4752 -1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 -0.0633 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0852 -0.3515 0.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8513 -1.8155 0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6813 -2.3281 0.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4328 -1.5973 0.9671 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8764 -2.0261 2.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5867 -1.3514 3.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 0.0640 3.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2617 0.9654 2.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 1.9414 2.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 2.2846 2.3483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 2.2089 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 0.8484 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0735 0.4717 -0.2326 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1717 -0.0419 0.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0856 -1.3266 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9312 -2.1341 0.8231 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9851 -3.5004 0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8401 -3.4056 -1.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8478 -4.8747 -1.9979 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1032 -5.8733 -1.3734 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4006 -5.5547 -1.8781 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5154 -4.6431 -3.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -3.4350 -3.9165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3179 -3.3998 -5.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 -3.5132 -6.1468 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -1.6176 0.5096 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3036 -1.3491 1.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9615 -1.5709 2.6618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6234 -0.8413 1.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 -0.8785 -0.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1144 -0.4225 -0.9257 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2022 -1.3147 -0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5299 -0.8643 -0.8972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6566 -1.7356 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7103 -1.6115 1.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9556 -0.2326 1.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2723 0.3963 1.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6622 0.5387 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7459 0.0412 -0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7155 -0.7572 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1128 -0.1460 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1469 1.2338 0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5869 1.7079 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8004 3.0774 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1669 4.2128 0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5730 4.5159 -0.9139 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3196 3.4274 -1.8888 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9689 2.2800 -0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4861 3.8191 -1.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6212 3.7447 0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7891 5.0569 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1733 3.8006 0.9141 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2400 3.8766 -2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2888 2.5481 -2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0043 2.4096 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3465 2.7607 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0723 0.1710 -0.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9616 -1.0017 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8063 1.9141 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2655 0.5866 1.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2230 0.6735 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1019 -0.2962 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6232 -0.0205 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0880 0.1850 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 -2.4700 0.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6070 -3.4318 0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3999 -0.5466 0.7491 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6898 -2.0476 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6977 -3.1563 2.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1690 -1.9700 4.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7311 0.4855 4.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3615 0.1727 4.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3527 0.8289 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1377 2.5514 1.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6879 1.7636 3.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1937 3.3855 2.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2894 2.6042 1.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6845 2.9152 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1559 -1.3206 -0.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0215 -1.8654 0.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0183 -2.2974 1.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9552 -3.9998 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -4.1586 0.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -6.5162 -2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.5650 -3.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1067 -3.3588 -3.4597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 -4.2435 -5.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7864 -2.4393 -5.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9166 -2.9150 -7.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7455 -3.1629 -5.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 0.1825 1.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -1.5532 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 -1.9339 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9683 -0.2625 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 0.6147 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1174 -0.5776 -2.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2408 -1.2205 0.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0815 -2.3756 -0.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5345 -0.8998 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6731 0.1977 -0.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5999 -1.5148 -0.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4186 -2.8077 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5935 -2.2583 1.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8030 -2.0737 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1147 0.4686 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8582 -0.2840 2.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2388 1.4653 1.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0217 -0.0976 1.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9917 1.1256 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9217 0.2267 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4220 -1.0250 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8556 -1.7797 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7994 -0.7897 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5090 -0.1308 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8975 1.2020 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4431 1.9514 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9981 1.4692 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1405 1.0149 1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4408 3.1314 2.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9077 3.2943 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0397 4.1630 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3711 5.1347 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9430 5.3981 -1.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6160 4.9247 -0.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4853 2.7516 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2596 2.8665 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0178 3.8693 -2.9060 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 2 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 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 1 58 1 0 1 59 1 0 1 60 1 0 2 61 1 0 2 62 1 0 3 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 25 89 1 0 25 90 1 0 26 91 1 1 27 92 1 0 27 93 1 0 31 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 52125 1 0 52126 1 0 53127 1 0 53128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 57137 1 0 M END