@MOLECULE methyl (3e,5z,11alpha,13e,16r)-11,16-dihydroxy-16-methyl-9-oxoprosta-3,5,13-trien-1-oate 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.4425 2.9776 0.8767 O.3 1 UNL1111111111 -0.5555 2 O 5.6604 -1.0582 -0.7328 O.2 1 UNL1111111111 -0.4412 3 O -1.6103 2.8564 -0.9868 O.3 1 UNL1111111111 -0.5722 4 O -3.2506 -1.7402 0.7143 O.3 1 UNL1111111111 -0.4258 5 O -2.8642 -3.9553 0.7506 O.2 1 UNL1111111111 -0.4943 6 C 3.0660 1.1875 0.2356 C.3 1 UNL1111111111 -0.1462 7 C 3.4388 -0.2335 -0.2476 C.3 1 UNL1111111111 -0.2220 8 C 4.2141 1.6186 1.1853 C.3 1 UNL1111111111 0.1643 9 C 5.4449 0.7743 0.8052 C.3 1 UNL1111111111 -0.4637 10 C 4.9516 -0.2886 -0.1480 C.2 1 UNL1111111111 0.4818 11 C 2.9168 -0.5247 -1.6572 C.3 1 UNL1111111111 -0.2749 12 C 1.7282 1.1726 0.8936 C.2 1 UNL1111111111 -0.2204 13 C -1.7751 1.6933 -0.1936 C.3 1 UNL1111111111 0.3447 14 C -0.7007 1.7096 0.9253 C.3 1 UNL1111111111 -0.3590 15 C 0.6705 1.7765 0.3440 C.2 1 UNL1111111111 -0.1059 16 C -3.1764 1.6875 0.4489 C.3 1 UNL1111111111 -0.3551 17 C 2.6973 -1.9908 -1.8562 C.2 1 UNL1111111111 -0.1075 18 C -4.2802 1.8476 -0.6008 C.3 1 UNL1111111111 -0.2588 19 C -1.5749 0.5435 -1.1784 C.3 1 UNL1111111111 -0.4791 20 C -5.6503 2.0104 0.0693 C.3 1 UNL1111111111 -0.2556 21 C 1.7289 -2.7065 -1.2655 C.2 1 UNL1111111111 -0.1970 22 C -6.7621 2.0646 -0.9783 C.3 1 UNL1111111111 -0.4399 23 C 0.7463 -2.1594 -0.3414 C.2 1 UNL1111111111 -0.1438 24 C -0.0891 -2.9380 0.3595 C.2 1 UNL1111111111 -0.1597 25 C -1.0909 -2.3834 1.3186 C.3 1 UNL1111111111 -0.3557 26 C -2.4637 -2.8333 0.9023 C.2 1 UNL1111111111 0.6108 27 C -4.5810 -1.9853 0.2714 C.3 1 UNL1111111111 -0.1714 28 H 3.0738 1.8995 -0.6323 H 1 UNL1111111111 0.1791 29 H 3.0275 -0.9960 0.4654 H 1 UNL1111111111 0.1789 30 H 3.9457 1.5308 2.2549 H 1 UNL1111111111 0.1183 31 H 6.2146 1.4001 0.3091 H 1 UNL1111111111 0.1940 32 H 5.9447 0.3225 1.6771 H 1 UNL1111111111 0.1746 33 H 3.6255 -0.1272 -2.4138 H 1 UNL1111111111 0.1569 34 H 1.9666 0.0295 -1.8280 H 1 UNL1111111111 0.1620 35 H 1.6645 0.6139 1.8228 H 1 UNL1111111111 0.1450 36 H -0.8614 2.5883 1.5845 H 1 UNL1111111111 0.1564 37 H -0.8310 0.8251 1.5764 H 1 UNL1111111111 0.1502 38 H 0.7457 2.3627 -0.5769 H 1 UNL1111111111 0.1678 39 H 5.0786 3.3790 1.4974 H 1 UNL1111111111 0.3152 40 H -3.2531 2.4954 1.1983 H 1 UNL1111111111 0.1369 41 H -3.3207 0.7405 1.0059 H 1 UNL1111111111 0.1592 42 H 3.4100 -2.4679 -2.5317 H 1 UNL1111111111 0.1520 43 H -4.2903 0.9736 -1.2793 H 1 UNL1111111111 0.1413 44 H -4.0646 2.7193 -1.2495 H 1 UNL1111111111 0.1499 45 H -0.5365 0.4838 -1.5252 H 1 UNL1111111111 0.1583 46 H -1.8493 -0.4201 -0.7351 H 1 UNL1111111111 0.1626 47 H -2.1919 0.6911 -2.0754 H 1 UNL1111111111 0.1660 48 H -5.6651 2.9305 0.6833 H 1 UNL1111111111 0.1324 49 H -5.8334 1.1771 0.7732 H 1 UNL1111111111 0.1306 50 H -1.8002 3.6646 -0.4790 H 1 UNL1111111111 0.3131 51 H 1.6431 -3.7789 -1.4637 H 1 UNL1111111111 0.1532 52 H -7.7442 2.1929 -0.5104 H 1 UNL1111111111 0.1399 53 H -6.7979 1.1464 -1.5749 H 1 UNL1111111111 0.1422 54 H -6.6169 2.9010 -1.6718 H 1 UNL1111111111 0.1451 55 H 0.7213 -1.0688 -0.2466 H 1 UNL1111111111 0.1620 56 H -0.0888 -4.0253 0.2754 H 1 UNL1111111111 0.1642 57 H -0.8849 -2.7565 2.3488 H 1 UNL1111111111 0.1849 58 H -1.0362 -1.2735 1.3861 H 1 UNL1111111111 0.1795 59 H -5.1342 -2.5408 1.0350 H 1 UNL1111111111 0.1386 60 H -4.9871 -0.9747 0.1351 H 1 UNL1111111111 0.1504 61 H -4.5708 -2.5404 -0.6729 H 1 UNL1111111111 0.1427 @BOND 1 1 8 1 2 1 39 1 3 2 10 2 4 3 13 1 5 3 50 1 6 4 26 1 7 4 27 1 8 5 26 2 9 6 7 1 10 6 8 1 11 6 12 1 12 6 28 1 13 7 10 1 14 7 11 1 15 7 29 1 16 8 9 1 17 8 30 1 18 9 10 1 19 9 31 1 20 9 32 1 21 11 17 1 22 11 33 1 23 11 34 1 24 12 15 2 25 12 35 1 26 13 14 1 27 13 16 1 28 13 19 1 29 14 15 1 30 14 36 1 31 14 37 1 32 15 38 1 33 16 18 1 34 16 40 1 35 16 41 1 36 17 21 2 37 17 42 1 38 18 20 1 39 18 43 1 40 18 44 1 41 19 45 1 42 19 46 1 43 19 47 1 44 20 22 1 45 20 48 1 46 20 49 1 47 21 23 1 48 21 51 1 49 22 52 1 50 22 53 1 51 22 54 1 52 23 24 2 53 23 55 1 54 24 25 1 55 24 56 1 56 25 26 1 57 25 57 1 58 25 58 1 59 27 59 1 60 27 60 1 61 27 61 1