HMDB0266323 RDKit 3D PA(24:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 140139 0 0 0 0 0 0 0 0999 V2000 -16.9329 -1.4151 2.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0529 -0.4101 2.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0873 0.9287 2.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7630 1.0501 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4163 0.6544 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0781 -0.7478 0.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7808 -1.5649 -0.5682 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7743 -1.0697 -1.9638 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4229 -1.2589 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6696 -0.2740 -2.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0533 1.1044 -2.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3774 2.1385 -2.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4011 1.9848 -1.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7572 0.7510 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7271 0.7302 -0.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0812 -0.5048 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5279 -1.5885 -0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9406 -0.5733 1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1616 0.6823 1.3244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5103 1.2269 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5495 0.2381 -0.4375 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3622 -0.9021 0.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 0.5232 -1.5719 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 -0.4121 -2.0893 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4140 -0.0337 -2.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8484 0.2422 -0.8861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0976 1.2388 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9757 2.1040 -0.3578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4828 1.4670 1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 0.2649 1.8476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 -0.2195 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5145 0.7934 0.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 0.1882 0.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1570 -1.0900 0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 -1.0239 2.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8892 -0.1193 2.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0317 -0.5462 1.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4381 -1.9316 1.5733 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5377 -2.5883 0.8639 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9486 -2.1917 0.9759 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2790 -0.8129 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8102 -0.5636 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4138 -0.8106 1.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8707 -0.5533 2.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8306 -1.3421 1.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8233 -1.4186 -0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9473 -0.2596 -1.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1758 0.5527 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5437 1.3677 0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5466 2.4864 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0228 3.2000 1.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3375 -0.9125 -3.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4508 0.0963 -4.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9962 -0.5674 -5.8412 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.4737 -0.9659 -5.7232 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 -1.9836 -6.2503 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8971 0.5792 -7.0748 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.0141 -1.2712 2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6126 -2.4418 2.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8291 -1.3977 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0977 -0.8072 3.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6206 -0.2693 3.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4638 1.6363 2.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1312 1.3685 2.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9681 2.1112 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5273 0.4627 0.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6224 1.2073 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3046 1.0924 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0209 -1.2275 1.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5353 -2.6249 -0.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2670 -0.1333 -2.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4168 -1.8041 -2.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0050 -2.2903 -2.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6587 -0.5491 -3.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0055 1.3971 -4.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1636 1.2724 -2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7048 3.2082 -2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9586 2.8870 -0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0314 -0.2335 -1.3248 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3830 1.6545 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4129 -0.7679 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3576 -1.4789 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3254 0.4542 2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7482 1.4801 1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9300 2.1285 0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2166 1.5839 -0.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9015 -1.3650 -1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 -0.9526 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 0.7711 -2.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 1.6806 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1518 2.3838 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5362 -0.5705 1.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4555 0.3695 2.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -1.1427 1.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1363 -0.5041 0.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 1.0131 1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1439 1.6619 0.3844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -0.0190 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3966 0.9787 0.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 -1.8487 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9167 -1.4730 -0.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9494 -0.5960 2.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9234 -2.0439 2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2087 -0.0872 3.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 0.9257 1.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 -0.5559 0.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7848 0.2253 1.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5254 -2.6301 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6218 -2.0004 2.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 -3.7288 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2410 -2.5843 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5249 -2.9308 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2946 -2.4421 2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9116 -0.5333 -0.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8477 -0.1344 1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1746 -1.1231 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8776 0.5293 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 -0.0955 2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1512 -1.8245 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0682 0.5488 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -0.6071 3.1648 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8727 -1.1032 1.6574 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7638 -2.4525 1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0360 -2.1383 -0.5551 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7683 -2.1189 -0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 0.3895 -0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7972 -0.6261 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0352 -0.1597 -1.2681 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2236 1.2224 -1.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8532 0.8350 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4874 1.9376 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5046 2.1915 0.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6321 3.2620 -0.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2756 3.9014 2.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9948 3.7262 1.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3174 2.3991 2.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6088 -1.7055 -3.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3065 -1.4338 -3.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1299 -2.6135 -5.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1532 1.4651 -6.6843 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 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 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 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 1 0 48 49 1 0 49 50 1 0 50 51 1 0 24 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 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 3 64 1 0 4 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 18 81 1 0 18 82 1 0 19 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 24 87 1 1 25 88 1 0 25 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 56139 1 0 57140 1 0 M END