HMDB0115368 RDKit 3D PA(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)) 137136 0 0 0 0 0 0 0 0999 V2000 -4.9300 0.1412 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7515 1.2058 1.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3591 2.2423 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3844 1.8861 0.0675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9341 0.9449 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0112 0.7155 -1.9978 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5544 -0.4104 -2.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3312 -1.7150 -1.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3893 -1.9971 -0.6481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3648 -2.8014 -0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0152 -3.5614 -1.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -3.2087 -2.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7447 -4.1449 -2.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 -5.5718 -2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9438 -6.0607 -1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2549 -6.5910 -0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5817 -6.7853 0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0589 -6.1784 1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4635 -5.3938 2.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1087 -4.8883 2.2481 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -3.3333 2.2846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8366 -2.7409 2.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8822 -3.5409 2.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6808 -1.3756 2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -0.7143 2.2284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 -0.8788 0.9291 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6426 -0.2384 -0.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 1.0788 0.2365 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8690 1.8712 -0.9112 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8741 2.8127 -0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6503 0.7741 -1.9659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 2.8109 -1.8751 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.1891 0.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9078 -2.5282 0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7612 -1.6239 0.3111 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 -3.9027 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 -3.9691 -0.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 -3.1387 -1.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 -3.1880 -2.3866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4189 -2.3475 -3.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0229 -0.9230 -3.4048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8451 -0.2250 -2.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 1.1804 -2.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0323 1.9777 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 2.1787 -1.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 3.0031 -0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 4.2217 -0.3028 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5072 4.5576 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4208 3.7795 1.9559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9485 3.3638 2.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8182 2.5407 3.4137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4230 2.0775 3.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 3.1759 3.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8036 4.0526 5.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8199 5.1737 5.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6754 6.0927 4.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4101 -0.8437 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0707 -0.1188 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3663 0.4235 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0920 1.7389 2.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5473 0.6945 2.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6938 3.1379 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4906 2.6969 0.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7453 2.8114 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3204 1.5219 0.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1787 1.5905 -1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3415 0.0977 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3635 1.6290 -2.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3683 -0.3720 -3.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3657 -2.1530 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1686 -2.4472 -2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5223 -1.5286 0.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7193 -2.9490 0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9800 -4.6348 -1.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7500 -3.5526 -2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -2.1381 -2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7537 -3.7810 -2.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9158 -5.9706 -2.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5930 -6.0447 -3.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8721 -5.9588 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -6.9790 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7448 -7.9369 0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 -6.6535 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 -6.4588 1.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1125 -5.0824 3.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5194 -5.0477 1.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4593 -5.1991 3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 -3.0648 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 -3.0616 3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6787 0.3609 2.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2283 -1.0430 3.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1868 -0.2804 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0869 -0.2137 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5713 -0.7991 -0.2892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0681 0.5940 -2.7608 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1605 3.2426 -1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2569 -4.5459 0.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 -4.3521 -0.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3943 -3.5767 0.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9779 -5.0130 -0.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5231 -2.1019 -1.7244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -3.6243 -2.6696 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9553 -2.8422 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5323 -4.2274 -2.6877 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4798 -2.3764 -3.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7324 -2.7656 -4.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9482 -0.8344 -3.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1677 -0.3976 -4.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8943 -0.1208 -2.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8357 -0.7866 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 1.0915 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 1.6925 -3.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5274 2.9289 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9582 1.3958 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 2.8169 -2.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0334 1.2248 -1.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1284 3.2153 -0.5337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9551 2.3195 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1996 4.9134 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8998 5.4910 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6993 4.4628 2.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 2.8720 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6700 2.7614 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 4.3091 2.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2055 3.0860 4.2959 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4461 1.6369 3.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4618 1.5395 4.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1032 1.3237 2.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 3.7217 2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 2.6843 4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8179 4.4664 4.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 3.4431 5.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 5.7710 6.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8197 4.7925 5.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 6.6141 3.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 6.9124 4.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2187 5.6362 3.1895 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 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 26 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 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 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 32 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 56135 1 0 56136 1 0 56137 1 0 M END