@MOLECULE 7-{(1r,4s,5r,6r)-6-[(1e,3s)-3-hydroxy-1-octen-1-yl]-3-oxo-2-oxabicyclo[2.2.1]hept-5-yl}heptanoic acid 60 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.2680 1.4144 -0.9646 O.3 1 UNL1111111111 -0.4118 2 O 5.1082 -0.4159 -1.9681 O.2 1 UNL1111111111 -0.4368 3 O -1.8575 3.1423 1.4911 O.3 1 UNL1111111111 -0.5596 4 O -5.4306 1.2226 -1.9377 O.3 1 UNL1111111111 -0.5584 5 O -3.6703 1.9202 -0.7701 O.2 1 UNL1111111111 -0.5486 6 C 2.5411 -0.5730 0.2134 C.3 1 UNL1111111111 -0.1009 7 C 4.0967 -0.5523 0.3029 C.3 1 UNL1111111111 -0.2272 8 C 2.1882 0.9575 0.0989 C.3 1 UNL1111111111 -0.1756 9 C 3.5762 1.6357 0.2898 C.3 1 UNL1111111111 0.1219 10 C 4.3274 0.6652 1.2411 C.3 1 UNL1111111111 -0.3263 11 C 2.0061 -1.3921 -0.9580 C.3 1 UNL1111111111 -0.2977 12 C 4.5757 0.0602 -1.0128 C.2 1 UNL1111111111 0.5837 13 C 1.1943 1.3541 1.1313 C.2 1 UNL1111111111 -0.1914 14 C 0.4871 -1.5673 -0.8254 C.3 1 UNL1111111111 -0.2796 15 C -0.1744 -1.8203 -2.1841 C.3 1 UNL1111111111 -0.2651 16 C -0.0395 1.7572 0.8161 C.2 1 UNL1111111111 -0.1814 17 C -1.7051 -1.7962 -2.0685 C.3 1 UNL1111111111 -0.2711 18 C -1.0975 2.0104 1.8526 C.3 1 UNL1111111111 0.1559 19 C -2.0309 0.7876 1.9725 C.3 1 UNL1111111111 -0.3369 20 C -2.2216 -0.3652 -1.8754 C.3 1 UNL1111111111 -0.2572 21 C -1.3048 -0.4602 2.4800 C.3 1 UNL1111111111 -0.2723 22 C -3.7330 -0.3612 -1.6314 C.3 1 UNL1111111111 -0.3527 23 C -1.9984 -1.7338 1.9797 C.3 1 UNL1111111111 -0.2734 24 C -1.2090 -2.9830 2.3921 C.3 1 UNL1111111111 -0.2531 25 C -4.2099 1.0318 -1.3791 C.2 1 UNL1111111111 0.6675 26 C -1.7926 -4.2346 1.7370 C.3 1 UNL1111111111 -0.4425 27 H 2.1378 -0.9884 1.1634 H 1 UNL1111111111 0.1469 28 H 4.5657 -1.4984 0.5751 H 1 UNL1111111111 0.1693 29 H 1.8175 1.1897 -0.9273 H 1 UNL1111111111 0.1704 30 H 3.5994 2.7079 0.4807 H 1 UNL1111111111 0.1569 31 H 5.3832 0.9233 1.3865 H 1 UNL1111111111 0.1583 32 H 3.8737 0.5616 2.2316 H 1 UNL1111111111 0.1598 33 H 2.5010 -2.3814 -0.9947 H 1 UNL1111111111 0.1480 34 H 2.2605 -0.9082 -1.9218 H 1 UNL1111111111 0.1566 35 H 1.5254 1.2561 2.1638 H 1 UNL1111111111 0.1477 36 H 0.2582 -2.3972 -0.1302 H 1 UNL1111111111 0.1379 37 H 0.0431 -0.6651 -0.3561 H 1 UNL1111111111 0.1513 38 H 0.1574 -2.7960 -2.5865 H 1 UNL1111111111 0.1373 39 H 0.1604 -1.0643 -2.9208 H 1 UNL1111111111 0.1452 40 H -0.3672 1.9117 -0.2112 H 1 UNL1111111111 0.1580 41 H -2.0283 -2.4421 -1.2303 H 1 UNL1111111111 0.1363 42 H -2.1541 -2.2391 -2.9781 H 1 UNL1111111111 0.1381 43 H -0.6784 2.3118 2.8395 H 1 UNL1111111111 0.1453 44 H -2.8705 1.0463 2.6465 H 1 UNL1111111111 0.1565 45 H -2.5002 0.5974 0.9870 H 1 UNL1111111111 0.1517 46 H -1.6990 0.1201 -1.0238 H 1 UNL1111111111 0.1575 47 H -1.9719 0.2496 -2.7627 H 1 UNL1111111111 0.1516 48 H -1.2621 -0.4559 3.5845 H 1 UNL1111111111 0.1387 49 H -0.2505 -0.4621 2.1394 H 1 UNL1111111111 0.1417 50 H -2.4142 2.9569 0.7001 H 1 UNL1111111111 0.3364 51 H -3.9925 -0.9974 -0.7561 H 1 UNL1111111111 0.1791 52 H -4.2722 -0.8151 -2.4926 H 1 UNL1111111111 0.1860 53 H -2.0931 -1.7008 0.8766 H 1 UNL1111111111 0.1365 54 H -3.0293 -1.7878 2.3739 H 1 UNL1111111111 0.1379 55 H -1.2180 -3.0899 3.4931 H 1 UNL1111111111 0.1362 56 H -0.1447 -2.8729 2.1090 H 1 UNL1111111111 0.1323 57 H -2.8435 -4.3781 2.0119 H 1 UNL1111111111 0.1435 58 H -1.7410 -4.1771 0.6440 H 1 UNL1111111111 0.1403 59 H -1.2478 -5.1346 2.0442 H 1 UNL1111111111 0.1427 60 H -5.8101 2.1225 -1.7828 H 1 UNL1111111111 0.3587 @BOND 1 1 9 1 2 1 12 1 3 2 12 2 4 3 18 1 5 3 50 1 6 4 25 1 7 4 60 1 8 5 25 2 9 6 7 1 10 6 8 1 11 6 11 1 12 6 27 1 13 7 10 1 14 7 12 1 15 7 28 1 16 8 9 1 17 8 13 1 18 8 29 1 19 9 10 1 20 9 30 1 21 10 31 1 22 10 32 1 23 11 14 1 24 11 33 1 25 11 34 1 26 13 16 2 27 13 35 1 28 14 15 1 29 14 36 1 30 14 37 1 31 15 17 1 32 15 38 1 33 15 39 1 34 16 18 1 35 16 40 1 36 17 20 1 37 17 41 1 38 17 42 1 39 18 19 1 40 18 43 1 41 19 21 1 42 19 44 1 43 19 45 1 44 20 22 1 45 20 46 1 46 20 47 1 47 21 23 1 48 21 48 1 49 21 49 1 50 22 25 1 51 22 51 1 52 22 52 1 53 23 24 1 54 23 53 1 55 23 54 1 56 24 26 1 57 24 55 1 58 24 56 1 59 26 57 1 60 26 58 1 61 26 59 1