@MOLECULE (5z)-7-{(1s,4r,5s,6r)-5-[(1e,3s)-3-hydroxy-1-octen-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}-5-heptenoic acid 59 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.5452 0.6736 0.0805 O.3 1 UNL1111111111 -0.4068 2 O 1.9890 4.3552 0.1198 O.3 1 UNL1111111111 -0.5732 3 O 1.9631 -1.8935 0.2777 O.3 1 UNL1111111111 -0.5708 4 O 0.9838 -0.9326 -1.4769 O.2 1 UNL1111111111 -0.5365 5 C -2.8398 2.2125 -0.4686 C.3 1 UNL1111111111 -0.1314 6 C -2.2420 -0.0681 0.1742 C.3 1 UNL1111111111 -0.1553 7 C -1.7890 1.4180 0.3762 C.3 1 UNL1111111111 -0.1378 8 C -3.5109 0.0875 -0.7179 C.3 1 UNL1111111111 0.1147 9 C -3.0964 1.2475 -1.6603 C.3 1 UNL1111111111 -0.3340 10 C -4.1885 2.0573 0.2753 C.3 1 UNL1111111111 -0.0594 11 C -2.5504 -0.7650 1.5002 C.3 1 UNL1111111111 -0.2866 12 C -0.4172 1.6995 -0.1386 C.2 1 UNL1111111111 -0.1468 13 C -3.1592 -2.1112 1.2704 C.2 1 UNL1111111111 -0.1420 14 C 0.3629 2.6318 0.4133 C.2 1 UNL1111111111 -0.2536 15 C 1.7226 2.9755 -0.1155 C.3 1 UNL1111111111 0.1617 16 C -2.4941 -3.2209 0.9360 C.2 1 UNL1111111111 -0.1864 17 C 2.8338 2.2431 0.6569 C.3 1 UNL1111111111 -0.2983 18 C -1.0218 -3.3032 0.7047 C.3 1 UNL1111111111 -0.2757 19 C 3.5021 1.1820 -0.2196 C.3 1 UNL1111111111 -0.2891 20 C -0.7565 -3.4292 -0.8045 C.3 1 UNL1111111111 -0.2435 21 C 4.4885 0.3426 0.6004 C.3 1 UNL1111111111 -0.2771 22 C 5.1139 -0.7621 -0.2617 C.3 1 UNL1111111111 -0.2531 23 C 0.7398 -3.3289 -1.1172 C.3 1 UNL1111111111 -0.3490 24 C 6.0778 -1.6156 0.5620 C.3 1 UNL1111111111 -0.4409 25 C 1.2055 -1.9339 -0.8440 C.2 1 UNL1111111111 0.6639 26 H -2.5500 3.2323 -0.7166 H 1 UNL1111111111 0.1453 27 H -1.4672 -0.6410 -0.3788 H 1 UNL1111111111 0.1510 28 H -1.8670 1.7010 1.4482 H 1 UNL1111111111 0.1475 29 H -3.9309 -0.8257 -1.1389 H 1 UNL1111111111 0.1388 30 H -2.2112 1.0434 -2.2698 H 1 UNL1111111111 0.1550 31 H -3.8986 1.5736 -2.3295 H 1 UNL1111111111 0.1497 32 H -5.0006 2.6537 -0.1618 H 1 UNL1111111111 0.1266 33 H -4.1353 2.2215 1.3584 H 1 UNL1111111111 0.1277 34 H -1.6267 -0.8431 2.1087 H 1 UNL1111111111 0.1467 35 H -3.2494 -0.1362 2.0945 H 1 UNL1111111111 0.1572 36 H -0.1033 1.1151 -1.0063 H 1 UNL1111111111 0.1687 37 H -4.2440 -2.1307 1.3918 H 1 UNL1111111111 0.1488 38 H 0.0657 3.2078 1.2880 H 1 UNL1111111111 0.1600 39 H 1.8049 2.8148 -1.2151 H 1 UNL1111111111 0.1253 40 H -3.0221 -4.1642 0.7956 H 1 UNL1111111111 0.1413 41 H 3.5831 2.9924 0.9940 H 1 UNL1111111111 0.1688 42 H 2.4321 1.7959 1.5837 H 1 UNL1111111111 0.1453 43 H -0.5919 -4.1711 1.2447 H 1 UNL1111111111 0.1449 44 H -0.4915 -2.4205 1.1177 H 1 UNL1111111111 0.1562 45 H 4.0329 1.6672 -1.0623 H 1 UNL1111111111 0.1468 46 H 2.7352 0.5377 -0.6958 H 1 UNL1111111111 0.1479 47 H 1.2746 4.9121 -0.2379 H 1 UNL1111111111 0.3131 48 H -1.1548 -4.3921 -1.1774 H 1 UNL1111111111 0.1442 49 H -1.3161 -2.6446 -1.3551 H 1 UNL1111111111 0.1562 50 H 5.2844 0.9938 1.0111 H 1 UNL1111111111 0.1447 51 H 3.9889 -0.0990 1.4828 H 1 UNL1111111111 0.1315 52 H 5.6457 -0.3137 -1.1223 H 1 UNL1111111111 0.1366 53 H 4.3242 -1.4035 -0.6979 H 1 UNL1111111111 0.1348 54 H 0.9321 -3.5780 -2.1826 H 1 UNL1111111111 0.1736 55 H 1.3140 -4.0672 -0.5169 H 1 UNL1111111111 0.1796 56 H 6.5378 -2.3984 -0.0510 H 1 UNL1111111111 0.1399 57 H 5.5642 -2.1112 1.3936 H 1 UNL1111111111 0.1436 58 H 6.8875 -1.0115 0.9862 H 1 UNL1111111111 0.1432 59 H 2.3106 -0.9885 0.5042 H 1 UNL1111111111 0.3663 @BOND 1 1 8 1 2 1 10 1 3 2 15 1 4 2 47 1 5 3 25 1 6 3 59 1 7 4 25 2 8 5 7 1 9 5 9 1 10 5 10 1 11 5 26 1 12 6 7 1 13 6 8 1 14 6 11 1 15 6 27 1 16 7 12 1 17 7 28 1 18 8 9 1 19 8 29 1 20 9 30 1 21 9 31 1 22 10 32 1 23 10 33 1 24 11 13 1 25 11 34 1 26 11 35 1 27 12 14 2 28 12 36 1 29 13 16 2 30 13 37 1 31 14 15 1 32 14 38 1 33 15 17 1 34 15 39 1 35 16 18 1 36 16 40 1 37 17 19 1 38 17 41 1 39 17 42 1 40 18 20 1 41 18 43 1 42 18 44 1 43 19 21 1 44 19 45 1 45 19 46 1 46 20 23 1 47 20 48 1 48 20 49 1 49 21 22 1 50 21 50 1 51 21 51 1 52 22 24 1 53 22 52 1 54 22 53 1 55 23 25 1 56 23 54 1 57 23 55 1 58 24 56 1 59 24 57 1 60 24 58 1