@MOLECULE prost-13-en-1-oic acid, 11,15-dihydroxy-17,20-dimethyl-6,9-dioxo-, methyl ester, (11alpha,13e,15r,17s)- 67 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.8286 -0.2186 -0.2352 O.3 1 UNL1111111111 -0.5558 2 O -3.0176 -3.7202 0.0769 O.2 1 UNL1111111111 -0.4318 3 O -3.1628 4.2012 -0.3710 O.3 1 UNL1111111111 -0.5555 4 O -0.0857 -2.6843 -0.4089 O.2 1 UNL1111111111 -0.4434 5 O 5.7987 -1.0107 -1.3458 O.3 1 UNL1111111111 -0.4200 6 O 3.8990 0.1859 -1.4521 O.2 1 UNL1111111111 -0.5158 7 C -3.4925 -0.2324 0.0208 C.3 1 UNL1111111111 -0.1581 8 C -2.4523 -1.3665 -0.1120 C.3 1 UNL1111111111 -0.2042 9 C -4.6696 -0.6880 -0.8846 C.3 1 UNL1111111111 0.1644 10 C -4.6331 -2.2281 -0.8955 C.3 1 UNL1111111111 -0.4657 11 C -3.3107 -2.6129 -0.2710 C.2 1 UNL1111111111 0.4825 12 C -1.4930 -1.4493 1.0640 C.3 1 UNL1111111111 -0.3831 13 C -2.9317 1.0851 -0.3912 C.2 1 UNL1111111111 -0.1453 14 C -0.2661 -2.2574 0.7016 C.2 1 UNL1111111111 0.4882 15 C -2.6473 2.0398 0.4976 C.2 1 UNL1111111111 -0.2131 16 C -2.1059 3.3894 0.1118 C.3 1 UNL1111111111 0.1492 17 C -1.0017 3.3424 -0.9559 C.3 1 UNL1111111111 -0.3425 18 C 0.1569 2.4053 -0.5717 C.3 1 UNL1111111111 -0.0700 19 C 0.7317 -2.4607 1.8169 C.3 1 UNL1111111111 -0.3870 20 C 0.9352 2.9619 0.6330 C.3 1 UNL1111111111 -0.2876 21 C 2.1249 -2.7322 1.2469 C.3 1 UNL1111111111 -0.2444 22 C 1.8191 1.8798 1.2655 C.3 1 UNL1111111111 -0.2739 23 C 1.0793 2.2276 -1.7813 C.3 1 UNL1111111111 -0.4642 24 C 2.6810 -1.5045 0.5176 C.3 1 UNL1111111111 -0.2605 25 C 2.5485 2.4182 2.5027 C.3 1 UNL1111111111 -0.2499 26 C 3.9907 -1.8894 -0.1778 C.3 1 UNL1111111111 -0.3530 27 C 3.4570 1.3485 3.1095 C.3 1 UNL1111111111 -0.4431 28 C 4.4921 -0.7769 -1.0414 C.2 1 UNL1111111111 0.6095 29 C 6.4205 -0.0491 -2.1917 C.3 1 UNL1111111111 -0.1678 30 H -3.8764 -0.1867 1.0739 H 1 UNL1111111111 0.1760 31 H -1.8613 -1.2358 -1.0604 H 1 UNL1111111111 0.1930 32 H -4.6228 -0.2536 -1.9033 H 1 UNL1111111111 0.1202 33 H -5.4715 -2.6494 -0.3062 H 1 UNL1111111111 0.1920 34 H -4.7336 -2.6560 -1.9056 H 1 UNL1111111111 0.1774 35 H -1.1806 -0.4271 1.3722 H 1 UNL1111111111 0.1773 36 H -1.9890 -1.8959 1.9503 H 1 UNL1111111111 0.1741 37 H -2.7543 1.2086 -1.4578 H 1 UNL1111111111 0.1496 38 H -2.8267 1.9128 1.5635 H 1 UNL1111111111 0.1534 39 H -1.7726 3.9660 1.0086 H 1 UNL1111111111 0.1417 40 H -0.6247 4.3694 -1.1189 H 1 UNL1111111111 0.1550 41 H -1.4325 3.0328 -1.9257 H 1 UNL1111111111 0.1450 42 H -0.2663 1.4069 -0.2967 H 1 UNL1111111111 0.1337 43 H -6.6279 -0.3915 -0.7681 H 1 UNL1111111111 0.3187 44 H 0.4052 -3.3235 2.4348 H 1 UNL1111111111 0.1698 45 H 0.7498 -1.5921 2.5008 H 1 UNL1111111111 0.1593 46 H 0.2448 3.3652 1.3911 H 1 UNL1111111111 0.1323 47 H 1.5569 3.8212 0.3158 H 1 UNL1111111111 0.1419 48 H 2.8126 -3.0498 2.0500 H 1 UNL1111111111 0.1342 49 H 2.0583 -3.5887 0.5345 H 1 UNL1111111111 0.1606 50 H 2.5564 1.5181 0.5196 H 1 UNL1111111111 0.1531 51 H 1.2050 1.0032 1.5405 H 1 UNL1111111111 0.1264 52 H 0.5672 1.7513 -2.6222 H 1 UNL1111111111 0.1407 53 H 1.9356 1.5790 -1.5428 H 1 UNL1111111111 0.1691 54 H 1.4912 3.1814 -2.1244 H 1 UNL1111111111 0.1448 55 H 1.9500 -1.1471 -0.2399 H 1 UNL1111111111 0.1680 56 H 2.8329 -0.6603 1.2157 H 1 UNL1111111111 0.1474 57 H -3.7456 3.7012 -0.9733 H 1 UNL1111111111 0.3145 58 H 3.1479 3.3082 2.2275 H 1 UNL1111111111 0.1353 59 H 1.8173 2.7665 3.2536 H 1 UNL1111111111 0.1312 60 H 3.8413 -2.7905 -0.8192 H 1 UNL1111111111 0.1853 61 H 4.7591 -2.1867 0.5658 H 1 UNL1111111111 0.1755 62 H 2.8875 0.4658 3.4190 H 1 UNL1111111111 0.1378 63 H 3.9805 1.7283 3.9938 H 1 UNL1111111111 0.1397 64 H 4.2208 1.0209 2.3950 H 1 UNL1111111111 0.1436 65 H 6.2870 0.9552 -1.7857 H 1 UNL1111111111 0.1427 66 H 7.4654 -0.3516 -2.1863 H 1 UNL1111111111 0.1430 67 H 5.9875 -0.1091 -3.1965 H 1 UNL1111111111 0.1386 @BOND 1 1 9 1 2 1 43 1 3 2 11 2 4 3 16 1 5 3 57 1 6 4 14 2 7 5 28 1 8 5 29 1 9 6 28 2 10 7 8 1 11 7 9 1 12 7 13 1 13 7 30 1 14 8 11 1 15 8 12 1 16 8 31 1 17 9 10 1 18 9 32 1 19 10 11 1 20 10 33 1 21 10 34 1 22 12 14 1 23 12 35 1 24 12 36 1 25 13 15 2 26 13 37 1 27 14 19 1 28 15 16 1 29 15 38 1 30 16 17 1 31 16 39 1 32 17 18 1 33 17 40 1 34 17 41 1 35 18 20 1 36 18 23 1 37 18 42 1 38 19 21 1 39 19 44 1 40 19 45 1 41 20 22 1 42 20 46 1 43 20 47 1 44 21 24 1 45 21 48 1 46 21 49 1 47 22 25 1 48 22 50 1 49 22 51 1 50 23 52 1 51 23 53 1 52 23 54 1 53 24 26 1 54 24 55 1 55 24 56 1 56 25 27 1 57 25 58 1 58 25 59 1 59 26 28 1 60 26 60 1 61 26 61 1 62 27 62 1 63 27 63 1 64 27 64 1 65 29 65 1 66 29 66 1 67 29 67 1