@MOLECULE methyl (5z,11alpha,13e,15r)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.7898 0.5914 1.8870 O.3 1 UNL1111111111 -0.5622 2 O 3.8161 1.9242 -2.2601 O.2 1 UNL1111111111 -0.4561 3 O 0.8280 -4.5580 0.9157 O.3 1 UNL1111111111 -0.5659 4 O -0.7934 0.9754 2.1726 O.3 1 UNL1111111111 -0.4188 5 O -3.0294 1.1613 2.3040 O.2 1 UNL1111111111 -0.5131 6 C 2.1570 0.0377 0.2970 C.3 1 UNL1111111111 -0.1481 7 C 2.1165 1.2218 -0.6950 C.3 1 UNL1111111111 -0.2110 8 C 3.6566 -0.1305 0.6795 C.3 1 UNL1111111111 0.1665 9 C 4.4901 0.5162 -0.4360 C.3 1 UNL1111111111 -0.4598 10 C 3.5162 1.3080 -1.2753 C.2 1 UNL1111111111 0.4861 11 C 1.0678 1.1633 -1.8089 C.3 1 UNL1111111111 -0.2718 12 C 1.6417 -1.2554 -0.2437 C.2 1 UNL1111111111 -0.1550 13 C 1.1661 -2.2164 0.5516 C.2 1 UNL1111111111 -0.2318 14 C -0.3095 1.1781 -1.2338 C.2 1 UNL1111111111 -0.1692 15 C 0.5624 -3.4829 0.0223 C.3 1 UNL1111111111 0.1524 16 C -0.9735 -3.3837 0.0081 C.3 1 UNL1111111111 -0.2943 17 C -1.1759 2.1700 -1.4561 C.2 1 UNL1111111111 -0.1590 18 C -1.4561 -2.5056 -1.1482 C.3 1 UNL1111111111 -0.2789 19 C -2.5496 2.1759 -0.8692 C.3 1 UNL1111111111 -0.2920 20 C -2.9019 -2.0499 -0.9190 C.3 1 UNL1111111111 -0.2694 21 C -2.6736 3.2380 0.2349 C.3 1 UNL1111111111 -0.2393 22 C -3.3773 -1.1626 -2.0768 C.3 1 UNL1111111111 -0.2560 23 C -1.6926 2.9762 1.3836 C.3 1 UNL1111111111 -0.3478 24 C -4.7745 -0.6094 -1.7983 C.3 1 UNL1111111111 -0.4421 25 C -1.9686 1.6363 1.9927 C.2 1 UNL1111111111 0.6128 26 C -0.8760 -0.3249 2.7412 C.3 1 UNL1111111111 -0.1786 27 H 1.5812 0.3245 1.2194 H 1 UNL1111111111 0.1895 28 H 1.9428 2.1606 -0.1028 H 1 UNL1111111111 0.1787 29 H 3.9337 -1.1853 0.8713 H 1 UNL1111111111 0.1215 30 H 5.0188 -0.2311 -1.0537 H 1 UNL1111111111 0.1789 31 H 5.2777 1.1807 -0.0334 H 1 UNL1111111111 0.1841 32 H 1.2093 0.2666 -2.4460 H 1 UNL1111111111 0.1513 33 H 1.2337 2.0222 -2.4991 H 1 UNL1111111111 0.1644 34 H 1.6746 -1.3654 -1.3268 H 1 UNL1111111111 0.1530 35 H 4.7069 0.5663 2.2183 H 1 UNL1111111111 0.3165 36 H 1.1515 -2.1316 1.6372 H 1 UNL1111111111 0.1623 37 H -0.5545 0.3230 -0.6013 H 1 UNL1111111111 0.1571 38 H 0.9622 -3.7749 -0.9742 H 1 UNL1111111111 0.1197 39 H -1.3319 -2.9976 0.9810 H 1 UNL1111111111 0.1517 40 H -1.3995 -4.4039 -0.0683 H 1 UNL1111111111 0.1592 41 H -0.9292 3.0346 -2.0671 H 1 UNL1111111111 0.1463 42 H -0.8022 -1.6169 -1.2565 H 1 UNL1111111111 0.1427 43 H -1.3771 -3.0549 -2.1046 H 1 UNL1111111111 0.1374 44 H -3.5685 -2.9257 -0.8136 H 1 UNL1111111111 0.1407 45 H -2.9799 -1.4956 0.0362 H 1 UNL1111111111 0.1410 46 H -2.8219 1.1797 -0.4559 H 1 UNL1111111111 0.1585 47 H -3.3032 2.3682 -1.6608 H 1 UNL1111111111 0.1492 48 H 1.7818 -4.6257 1.1010 H 1 UNL1111111111 0.3131 49 H -2.4908 4.2453 -0.1860 H 1 UNL1111111111 0.1437 50 H -3.7133 3.2472 0.6221 H 1 UNL1111111111 0.1529 51 H -2.6652 -0.3290 -2.2342 H 1 UNL1111111111 0.1369 52 H -3.3785 -1.7385 -3.0209 H 1 UNL1111111111 0.1339 53 H -0.6426 3.0366 1.0184 H 1 UNL1111111111 0.1847 54 H -1.7863 3.7596 2.1645 H 1 UNL1111111111 0.1714 55 H -5.5137 -1.4138 -1.7144 H 1 UNL1111111111 0.1440 56 H -4.8038 -0.0426 -0.8597 H 1 UNL1111111111 0.1473 57 H -5.1046 0.0603 -2.5992 H 1 UNL1111111111 0.1383 58 H -1.5632 -0.3442 3.5944 H 1 UNL1111111111 0.1485 59 H -1.2034 -1.0311 1.9697 H 1 UNL1111111111 0.1381 60 H 0.1530 -0.5267 3.0595 H 1 UNL1111111111 0.1461 @BOND 1 1 8 1 2 1 35 1 3 2 10 2 4 3 15 1 5 3 48 1 6 4 25 1 7 4 26 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 27 1 13 7 10 1 14 7 11 1 15 7 28 1 16 8 9 1 17 8 29 1 18 9 10 1 19 9 30 1 20 9 31 1 21 11 14 1 22 11 32 1 23 11 33 1 24 12 13 2 25 12 34 1 26 13 15 1 27 13 36 1 28 14 17 2 29 14 37 1 30 15 16 1 31 15 38 1 32 16 18 1 33 16 39 1 34 16 40 1 35 17 19 1 36 17 41 1 37 18 20 1 38 18 42 1 39 18 43 1 40 19 21 1 41 19 46 1 42 19 47 1 43 20 22 1 44 20 44 1 45 20 45 1 46 21 23 1 47 21 49 1 48 21 50 1 49 22 24 1 50 22 51 1 51 22 52 1 52 23 25 1 53 23 53 1 54 23 54 1 55 24 55 1 56 24 56 1 57 24 57 1 58 26 58 1 59 26 59 1 60 26 60 1