HMDB0284882 RDKit 3D PE(DiMe(13,5)/PGE2) 147148 0 0 0 0 0 0 0 0999 V2000 15.8637 -2.0957 5.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7974 -1.5641 4.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9848 -2.2113 3.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9676 -1.7556 2.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0704 -0.2773 1.8716 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0861 0.2475 0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9986 0.9025 1.1229 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3436 1.2291 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0773 1.9740 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 1.2086 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4441 0.4226 -1.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 1.2286 -2.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 2.2934 -2.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7761 2.0625 -2.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 1.3544 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7603 1.2843 -1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 2.6013 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6366 2.5650 -0.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 2.1118 -1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9582 0.7560 -2.5531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7402 -0.3363 -1.5916 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 -1.5353 -2.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5181 -0.1343 -0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2809 -1.0280 0.7469 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0010 -1.7770 0.7685 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2047 -2.8141 -0.2909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3079 -3.6104 0.1068 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 -4.8489 -0.9621 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.3407 -5.3305 -1.6235 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 -6.1753 -0.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 -4.5232 -2.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6657 -3.2882 -2.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7198 -3.1001 -3.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0637 -3.2212 -3.3129 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1345 -0.9100 0.8962 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9492 -0.8716 1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6577 -1.6852 2.9339 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1236 -0.0219 2.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4680 0.8372 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8637 0.1128 -0.1852 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0248 -0.7352 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1449 -0.5770 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3126 0.4704 -1.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3847 1.4453 -1.3269 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3968 2.5410 -2.4081 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5190 2.6995 -3.1951 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6472 3.2650 -2.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5362 2.3723 -1.3559 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.8233 2.3299 -1.8339 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8106 1.0288 -1.4830 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3747 0.0173 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4092 0.2764 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9782 -0.7590 1.0818 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9897 -1.4058 1.8135 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0526 -0.1485 1.9826 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4845 0.9141 2.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3737 1.6583 3.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1059 0.9393 4.8143 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0942 -0.0443 4.2634 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0653 0.7491 -1.0548 C 0 0 0 0 0 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9 75 1 0 9 76 1 0 10 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 24 99 1 0 24100 1 0 25101 1 1 26102 1 0 26103 1 0 30104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 41117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 1 47122 1 0 47123 1 0 48124 1 1 49125 1 0 50126 1 6 51127 1 0 52128 1 0 53129 1 6 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 57135 1 0 57136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 61142 1 0 61143 1 0 61144 1 0 63145 1 0 63146 1 0 63147 1 0 M END