HMDB0263774 RDKit 3D PA(PGE1/18:1(11Z)) 126126 0 0 0 0 0 0 0 0999 V2000 14.4860 3.1990 2.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9991 1.8676 2.7669 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1327 0.9402 1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7649 0.7736 0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9209 -0.1539 -0.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6267 -0.3999 -0.9681 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 -1.0018 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4760 -0.5036 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 0.7633 -0.2684 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7456 0.7768 -1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6816 -0.0381 -2.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7846 -1.5045 -2.1785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6727 -2.1659 -1.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 -1.9156 -2.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -2.5890 -1.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0668 -2.1357 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7252 -0.6744 0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5076 -0.4173 -0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5572 -0.0677 -1.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2277 -0.5341 -0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 -0.2596 -0.8897 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2726 0.8954 -0.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7583 1.0604 -1.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 2.0785 -1.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5835 2.7506 -0.1113 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 2.2115 -2.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 3.3074 -1.8503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4698 3.0430 -0.5996 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3006 1.7672 -0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2769 1.8309 -1.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1437 0.6131 -1.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9808 0.4244 -0.7237 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8677 1.5785 -0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6423 2.4927 0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0790 1.4034 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0770 -0.0408 -1.7268 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.8100 -0.1451 -3.1022 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 -0.6807 -0.8926 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4685 -1.0277 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7103 -0.9033 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0858 -1.2814 2.3334 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.0881 -2.0978 2.8469 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2676 -0.0292 3.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3436 0.8611 2.6227 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6979 0.2392 2.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2272 -0.2091 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6137 -0.8056 3.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2727 -1.5207 -1.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1927 -1.9581 0.2382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -3.3502 0.0381 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5676 -2.8689 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0193 -4.3918 1.3536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6648 -4.1449 -1.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0306 4.0253 2.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6389 3.2514 1.1889 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3875 3.2574 2.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3248 1.3917 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9710 2.0052 3.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5546 -0.0352 1.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7814 1.4117 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3578 1.7343 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0618 0.2979 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2556 -1.1377 0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7362 0.2004 -0.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8815 -1.2214 -1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3003 0.4269 -1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9364 -1.9719 0.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8541 -1.0945 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7660 1.4119 0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8158 1.3837 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5951 1.8519 -1.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8316 0.5991 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 0.2408 -2.8107 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.2985 -3.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7698 -1.9144 -1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6094 -1.9010 -3.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8553 -3.2588 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6107 -1.8591 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3341 -2.3645 -3.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1379 -0.8344 -2.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 -2.5112 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5552 -3.6827 -1.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1867 -2.6797 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 -2.3977 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5559 -0.0430 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5378 -0.3847 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4471 0.0554 -1.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 0.7217 0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9522 1.7922 -0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 1.2286 -2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2654 2.4627 -3.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 4.2346 -1.6559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3840 3.5534 -2.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1755 3.8890 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8271 2.9524 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8167 1.6735 0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6397 0.8989 -0.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9863 2.6913 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7797 2.1010 -2.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4395 -0.2664 -2.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7029 0.6856 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3396 0.1287 0.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0255 1.5973 -0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0834 2.0870 -2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0481 -0.5497 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4373 0.5064 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5442 -1.5577 -1.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6982 -1.4182 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4744 -0.5212 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0465 -1.8119 2.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9776 -1.8859 3.8283 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3048 0.5185 3.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4810 -0.2554 4.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0403 1.3152 1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4211 1.7257 3.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7626 -0.6307 1.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4007 1.0501 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2769 0.5964 4.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5862 -1.0676 4.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1216 -0.1499 2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4276 -1.7668 3.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1904 -0.9539 4.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8205 -2.3183 -1.5398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6321 -1.2580 -1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -3.8678 2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0904 -4.9045 -1.1001 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 2 0 8 9 1 0 9 10 1 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 2 0 18 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 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 21 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 38 32 1 0 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 3 60 1 0 4 61 1 0 4 62 1 0 5 63 1 0 5 64 1 0 6 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 21 87 1 6 22 88 1 0 22 89 1 0 26 90 1 0 26 91 1 0 27 92 1 0 27 93 1 0 28 94 1 0 28 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 1 35103 1 0 35104 1 0 36105 1 6 37106 1 0 38107 1 6 39108 1 0 40109 1 0 41110 1 6 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 52125 1 0 53126 1 0 M END