HMDB0284584 RDKit 3D PE(24:1(15Z)/TXB2) 153153 0 0 0 0 0 0 0 0999 V2000 4.6262 4.8637 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2717 3.4710 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8982 3.4885 -2.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0072 3.9878 -2.8981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5803 4.0059 -4.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 2.6987 -4.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2954 1.6905 -4.9276 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 2.1051 -5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 2.3739 -7.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5620 1.7861 -8.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5483 0.6956 -8.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 -0.5834 -8.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8056 -1.0979 -7.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 -2.3138 -8.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1022 -2.9369 -7.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 -2.0339 -7.4686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9463 -2.8882 -6.6995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8041 -2.0779 -6.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2222 -2.9318 -5.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2716 -2.0043 -4.8917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 -2.7292 -4.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2534 -1.6707 -3.5198 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4033 -2.1588 -2.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1306 -1.0085 -2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6301 0.1294 -2.4071 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1886 -1.0178 -1.2641 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8343 0.0380 -0.6379 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1816 0.6805 0.5153 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7791 1.2240 0.2757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3452 1.9380 1.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 2.4898 1.0951 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9520 2.5464 2.3747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 4.0433 0.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1251 1.3987 -0.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1203 0.6055 0.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6111 -0.3853 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4556 -1.2078 -0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0818 -0.2005 1.6531 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5029 0.2416 2.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9605 1.4417 2.9371 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4997 -0.5186 4.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2658 0.4938 5.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3211 0.0191 6.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4080 -1.0639 6.9229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 -1.1110 7.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 0.0243 8.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5763 0.4218 8.4500 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4301 1.6458 9.3197 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2514 1.5215 10.4392 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 1.9294 9.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2552 0.7199 10.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8939 0.6866 9.3496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0328 -0.3832 10.1061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -0.6937 8.9617 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7536 -1.2746 7.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.4818 7.5107 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -3.1606 6.5654 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7501 -3.9389 5.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0059 -2.3534 5.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -1.2673 4.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7372 -0.6234 4.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 0.4884 3.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6282 1.0957 2.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4294 5.6365 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 4.9297 0.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1112 5.1133 0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3974 3.1522 0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 2.7451 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0154 4.1643 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6432 2.4481 -2.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9011 3.3254 -2.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2269 5.0355 -2.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7577 4.7473 -4.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4738 4.3860 -4.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 2.2713 -4.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 2.8848 -5.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5384 1.4054 -3.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 0.7515 -5.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2820 1.3273 -5.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9303 3.0325 -5.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3991 3.1954 -7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1491 2.1439 -9.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9802 0.4388 -7.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3973 0.9921 -8.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7350 -1.3834 -8.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6357 -0.4454 -9.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 -1.2665 -6.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 -0.2905 -7.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8945 -2.1194 -9.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0285 -3.1015 -8.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6666 -3.7320 -8.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4136 -3.4895 -6.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2183 -1.2061 -6.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5400 -1.6210 -8.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 -3.7074 -7.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5326 -3.3116 -5.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -1.1729 -5.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2439 -1.7330 -7.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6984 -3.5843 -6.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2842 -3.5468 -4.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8100 -1.3061 -4.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -1.4481 -5.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 -3.3748 -3.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -3.4007 -4.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -0.9827 -2.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 -1.0258 -4.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 -2.9542 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1413 -2.5915 -3.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8857 -0.2212 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9779 0.8300 -1.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7504 1.5670 0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7262 1.9505 -0.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1023 0.3798 0.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9229 4.6867 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4614 0.1235 1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 1.2852 0.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4249 -1.1202 -0.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2682 0.0622 -1.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8484 -1.8002 -0.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1372 -1.7761 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6918 -1.2686 4.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4593 -1.0558 4.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2654 0.9697 4.9918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 1.3282 5.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1607 0.9332 7.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3955 -0.2900 6.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5696 -1.9890 6.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8293 -2.0175 7.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6175 0.9422 8.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1140 -0.3029 9.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 0.6324 7.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8110 2.5273 8.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4284 2.4533 10.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0595 2.6118 10.6627 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4845 2.5405 8.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1359 0.8260 11.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 0.6395 9.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3904 -1.5614 9.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1059 -0.6795 7.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 -3.0566 7.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6261 -3.9515 7.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3422 -3.9635 4.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -3.0924 5.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -2.0082 6.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1156 -1.7660 4.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0893 -0.4821 5.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 -1.4310 3.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 -0.1620 5.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 -0.0077 2.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6823 1.2212 3.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 1.3865 1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4363 0.3175 2.7299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 1.9525 3.2926 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 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 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 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 28 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 54 47 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 20101 1 0 20102 1 0 21103 1 0 21104 1 0 22105 1 0 22106 1 0 23107 1 0 23108 1 0 27109 1 0 27110 1 0 28111 1 1 29112 1 0 29113 1 0 33114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 6 48132 1 6 49133 1 0 50134 1 0 50135 1 0 51136 1 0 52137 1 0 54138 1 1 55139 1 0 56140 1 0 57141 1 1 58142 1 0 59143 1 0 59144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 62149 1 0 62150 1 0 63151 1 0 63152 1 0 63153 1 0 M END