HMDB0002776 RDKit 3D 13,14-Dihydro-15-keto-PGE2 57 57 0 0 0 0 0 0 0 0999 V2000 -7.3286 1.0175 -0.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1881 0.5537 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9727 -0.9387 0.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 -1.4449 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5176 -0.8619 1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0145 -1.0758 -0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 -1.6927 -0.9568 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7067 -0.6003 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 0.1292 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4253 0.5885 -0.2254 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3436 1.5092 -1.3746 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1666 1.0057 -2.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 2.8468 -0.9213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2069 2.6995 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4627 3.6493 1.2279 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2117 1.2745 0.8440 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6505 0.7965 0.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 1.0153 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 0.1002 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9232 -1.3146 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2995 -1.8888 -0.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0931 -1.2671 0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3611 0.1703 0.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0898 0.9640 1.3549 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 0.6957 -0.7624 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1012 1.9974 -0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2835 1.1249 0.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5625 0.2697 -0.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 0.8586 1.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 1.0533 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9160 -1.4091 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9402 -1.2512 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1206 -1.2432 2.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8532 -2.5611 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 0.2546 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8320 -1.1965 1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1242 -1.4956 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 0.0809 -1.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 1.0723 0.6352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6711 -0.4912 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 -0.3487 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 1.5925 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9274 0.0497 -2.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 3.5687 -0.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6426 3.2532 -1.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 1.1695 1.8491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1253 1.5220 1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7632 -0.1747 1.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4939 2.0484 -0.6556 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4934 0.3892 -1.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -1.8358 -1.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2561 -1.5762 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8830 -1.8367 -1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2599 -2.9858 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0734 -1.8392 0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5470 -1.4220 1.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 0.1805 -1.6411 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 2 0 6 8 1 0 8 9 1 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 16 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 6 11 42 1 6 12 43 1 0 13 44 1 0 13 45 1 0 16 46 1 1 17 47 1 0 17 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 22 55 1 0 22 56 1 0 25 57 1 0 M END