HMDB0284989 RDKit 3D PE(PGD2/DiMe(9,3)) 129130 0 0 0 0 0 0 0 0999 V2000 14.9077 0.8667 1.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4877 1.4837 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 0.6105 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2963 0.3160 0.1438 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6222 1.6182 0.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2604 2.4498 -0.7019 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6521 3.6261 -0.1944 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1741 1.7974 -1.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9330 1.7215 -1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7773 1.1362 -1.7112 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9584 0.4436 -2.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7068 0.7010 -3.8839 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -0.7300 -3.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1599 -0.5164 -1.7311 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2088 0.4418 -2.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2287 -0.0006 -0.8421 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9086 0.4185 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3603 -0.7530 1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2285 -0.7941 1.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3010 0.3200 2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9283 0.1536 1.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7718 -0.0593 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2762 -0.1920 -0.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7476 -1.3173 -0.2943 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 0.8961 -0.4453 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 1.1190 -0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7385 0.7904 0.4287 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9229 -0.6824 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2973 -1.3206 -0.4373 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5275 -2.9734 -0.2264 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.5638 -3.4683 0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0953 -3.2138 0.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3934 -3.7888 -1.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0454 -3.9644 -1.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 -4.6949 -3.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6227 -5.9778 -3.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 1.1865 0.0247 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7738 2.0014 0.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1653 2.3329 1.9729 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1567 2.5186 0.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7206 3.1555 1.9256 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8314 2.1316 3.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8091 1.0405 2.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9644 -0.0180 3.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9233 -1.0791 3.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7114 -1.9402 2.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6867 -1.4317 0.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9343 -0.7115 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0597 0.5878 0.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3078 0.9147 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8050 2.2929 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7854 2.6654 -1.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6029 1.8408 -2.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9995 -0.2704 -0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4104 -0.4892 -0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1283 -1.3232 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4621 -2.7736 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0851 -0.2074 1.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8499 1.3861 1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1372 1.0475 2.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9820 2.4575 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3833 1.6645 -0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3463 1.1503 -1.5741 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0488 -0.3817 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5476 -0.1672 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6017 -0.3319 -0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6745 1.3294 1.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1940 2.1961 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1072 2.7480 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1899 3.4276 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3842 1.3671 -2.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7802 2.1749 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9384 1.8932 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5036 -1.6915 -2.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2993 -0.6230 -3.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7337 -1.4576 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4053 0.0604 -2.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 -0.7724 -0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2285 1.2878 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8522 0.7364 1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9489 -1.6957 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8995 -1.7411 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1772 0.5266 3.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6782 1.3060 1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3584 -0.6674 2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3487 1.0751 1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0572 0.8452 -0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 -0.9379 -0.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0159 2.1556 -1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1111 0.3878 -1.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4653 1.2565 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -1.1463 1.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -0.6997 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 -4.1923 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 -2.9880 -2.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6057 -4.5336 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4684 -4.1686 -4.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 -4.8591 -3.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0120 -6.5343 -2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 -5.7605 -2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 1.8468 0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9985 3.4019 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0524 3.9666 2.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6874 3.6695 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 1.6160 3.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1862 2.5573 3.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7573 1.5812 2.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3288 0.6568 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -0.4345 3.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2313 0.5088 4.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9864 -1.7394 4.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9759 -0.6220 3.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7306 -2.5377 2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4677 -2.7896 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 -2.4039 0.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7888 -0.9609 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0964 2.9898 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8310 2.4125 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1230 3.7390 -1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7273 2.6498 -2.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6006 2.2622 -3.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1170 0.8540 -2.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6482 1.7187 -2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8887 -1.2649 -0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9977 0.4413 -0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5355 -0.7169 -1.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3452 -2.9402 -0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7783 -3.1422 0.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6296 -3.3376 -0.4946 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 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 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 30 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 27 37 1 0 37 38 1 0 38 39 2 0 38 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 51 52 1 0 52 53 1 0 50 54 2 0 54 55 1 0 54 56 1 0 56 57 1 0 16 10 1 0 56 48 2 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 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 6 13 74 1 0 13 75 1 0 14 76 1 1 15 77 1 0 16 78 1 1 17 79 1 0 17 80 1 0 18 81 1 0 19 82 1 0 20 83 1 0 20 84 1 0 21 85 1 0 21 86 1 0 22 87 1 0 22 88 1 0 26 89 1 0 26 90 1 0 27 91 1 1 28 92 1 0 28 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 53121 1 0 53122 1 0 53123 1 0 55124 1 0 55125 1 0 55126 1 0 57127 1 0 57128 1 0 57129 1 0 M END