HMDB0270763 RDKit 3D PG(PGE2/a-17:0) 134134 0 0 0 0 0 0 0 0999 V2000 -2.8883 -5.5247 -1.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 -5.9661 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2138 -7.3862 -1.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6089 -7.6054 0.1905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 -6.6827 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5982 -6.7977 1.1344 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9485 -8.0883 1.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 -5.7729 2.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4995 -4.9309 2.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -3.8625 3.5847 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3644 -4.1633 5.0101 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9974 -3.9063 5.0506 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1458 -3.2188 5.8893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3438 -2.8321 5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -2.0405 5.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -3.5986 3.8471 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0944 -2.8523 2.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 -1.5528 2.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 -0.3832 2.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 -0.0873 3.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3599 0.6757 2.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9675 2.0396 1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9300 1.9584 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1207 1.1243 0.0054 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 2.7215 0.9378 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9364 2.5037 -0.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7171 3.1352 -1.3663 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5907 4.6667 -1.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1598 5.3146 -2.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9583 7.0047 -2.0131 P 0 0 0 0 0 5 0 0 0 0 0 0 3.7203 7.4637 -0.8009 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 7.8260 -3.3776 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2933 7.2321 -1.6884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 7.6286 -2.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 7.7955 -2.5843 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4130 6.5808 -2.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 8.8022 -1.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4449 8.3319 -0.3282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 2.8776 -2.5869 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7111 2.2637 -3.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 1.9528 -3.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1362 1.9669 -4.9598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 0.5918 -5.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8397 -0.5645 -4.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4124 -0.7883 -4.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 0.2538 -3.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7773 -0.0973 -3.4927 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 1.0056 -2.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 0.7912 -2.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4967 1.8695 -1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8378 1.9282 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9619 0.5737 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3225 0.6323 1.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3873 -0.6850 2.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 -1.7656 1.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7849 -1.1192 2.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5395 -0.1530 3.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -6.3232 -1.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2184 -4.9051 -2.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9460 -4.8087 -0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 -5.2518 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 -5.9529 -2.7844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1384 -7.5721 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7795 -8.0378 -1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4697 -8.6775 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7109 -7.4076 0.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 -5.6257 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2843 -6.8251 2.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 -6.6705 0.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7817 -8.3922 1.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -5.7052 2.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6223 -5.0024 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3529 -2.9145 3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6586 -5.1834 5.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4318 -4.7111 4.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5305 -2.3626 6.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5205 -3.7563 6.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 -4.5933 4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1359 -3.5302 1.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1463 -2.7220 3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4836 -1.5691 2.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4265 0.4845 2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9005 -0.9938 3.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 0.5120 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7192 0.0810 1.5332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2934 0.7873 3.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 2.5251 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 2.7127 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 1.4307 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 2.9766 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8090 -1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1369 4.8564 -0.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5323 4.9194 -0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9267 7.4956 -4.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8176 6.9423 -3.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 8.6433 -3.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3598 8.0588 -3.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1342 6.4790 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 8.8828 -1.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7539 9.8282 -1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 8.8687 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 2.6267 -5.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 2.4612 -5.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 0.4565 -5.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0605 0.5154 -6.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -0.6209 -3.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2952 -1.4856 -5.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1699 -1.0567 -5.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -1.7397 -3.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2762 1.2668 -4.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1696 0.2387 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8615 -1.0959 -3.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2364 -0.0659 -4.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1749 1.9706 -3.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8517 0.9954 -1.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 -0.2189 -2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3298 0.9328 -3.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3521 2.8343 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5858 1.6963 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3723 2.6896 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 2.2224 -0.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4077 -0.1328 -0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0237 0.2864 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 0.9357 1.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8014 1.4507 2.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -0.5702 3.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8214 -2.7504 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 -1.8514 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 -1.5218 1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3497 -1.3785 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7087 -2.0891 3.3805 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5305 0.0979 3.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 0.7745 3.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8160 -0.6206 4.6775 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 1 0 11 13 1 0 13 14 1 0 14 15 2 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 35 37 1 0 37 38 1 0 27 39 1 0 39 40 1 0 40 41 2 0 40 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 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 16 10 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 6 7 70 1 0 8 71 1 0 9 72 1 0 10 73 1 6 11 74 1 1 12 75 1 0 13 76 1 0 13 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 6 28 92 1 0 28 93 1 0 32 94 1 0 34 95 1 0 34 96 1 0 35 97 1 6 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 48114 1 0 48115 1 0 49116 1 0 49117 1 0 50118 1 0 50119 1 0 51120 1 0 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 57132 1 0 57133 1 0 57134 1 0 M END