@MOLECULE (5z)-7-{(2r,3s,4s)-4-hydroxy-2-[(1e,5z)-3-hydroxy-1,5-octadien-1-yl]-6-oxotetrahydro-2h-pyran-3-yl}-5-heptenoic acid 56 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4936 -1.6097 0.3764 O.3 1 UNL1111111111 -0.4247 2 O 1.5344 -0.4022 2.0461 O.3 1 UNL1111111111 -0.5763 3 O -1.0172 -3.7238 0.2560 O.2 1 UNL1111111111 -0.4640 4 O -3.5237 3.8977 0.2237 O.3 1 UNL1111111111 -0.5607 5 O 4.2562 -1.6425 -0.8747 O.3 1 UNL1111111111 -0.5857 6 O 5.9297 -0.4525 -1.7284 O.2 1 UNL1111111111 -0.5032 7 C 0.3155 -0.0657 -0.0270 C.3 1 UNL1111111111 -0.2113 8 C 1.3161 -0.9406 0.7509 C.3 1 UNL1111111111 0.1625 9 C -1.0658 -0.2642 0.6185 C.3 1 UNL1111111111 0.1213 10 C 0.7309 1.4123 -0.0088 C.3 1 UNL1111111111 -0.2883 11 C 0.7771 -2.3458 1.0337 C.3 1 UNL1111111111 -0.4227 12 C -0.6038 -2.6257 0.5301 C.2 1 UNL1111111111 0.6090 13 C -2.1310 0.5580 -0.0350 C.2 1 UNL1111111111 -0.1859 14 C 2.1090 1.5721 -0.5605 C.2 1 UNL1111111111 -0.1679 15 C -2.5181 1.7441 0.4354 C.2 1 UNL1111111111 -0.2065 16 C 3.1096 2.1341 0.1232 C.2 1 UNL1111111111 -0.1703 17 C -3.5820 2.5624 -0.2358 C.3 1 UNL1111111111 0.1649 18 C 4.4916 2.2447 -0.4334 C.3 1 UNL1111111111 -0.2855 19 C -4.9919 1.9897 0.0207 C.3 1 UNL1111111111 -0.3281 20 C 5.5015 1.4767 0.4341 C.3 1 UNL1111111111 -0.2446 21 C 5.1587 -0.0125 0.5475 C.3 1 UNL1111111111 -0.3484 22 C -5.2125 0.7726 -0.8150 C.2 1 UNL1111111111 -0.2071 23 C -5.2703 -0.4571 -0.2948 C.2 1 UNL1111111111 -0.1190 24 C 5.2048 -0.6664 -0.7947 C.2 1 UNL1111111111 0.6547 25 C -5.4641 -1.6847 -1.1243 C.3 1 UNL1111111111 -0.2648 26 C -4.5622 -2.8172 -0.6314 C.3 1 UNL1111111111 -0.4384 27 H 0.2742 -0.4204 -1.0878 H 1 UNL1111111111 0.1679 28 H 2.2994 -0.9833 0.2251 H 1 UNL1111111111 0.1420 29 H -1.0235 -0.1319 1.7251 H 1 UNL1111111111 0.1536 30 H 0.0150 2.0096 -0.6205 H 1 UNL1111111111 0.1726 31 H 0.6365 1.8306 1.0134 H 1 UNL1111111111 0.1480 32 H 1.4750 -3.1156 0.6363 H 1 UNL1111111111 0.1908 33 H 0.7873 -2.5141 2.1426 H 1 UNL1111111111 0.2109 34 H -2.5848 0.0942 -0.9155 H 1 UNL1111111111 0.1806 35 H 2.2436 1.1875 -1.5716 H 1 UNL1111111111 0.1533 36 H 1.9477 0.4820 1.9927 H 1 UNL1111111111 0.3216 37 H -2.0813 2.1994 1.3222 H 1 UNL1111111111 0.1546 38 H 2.9835 2.5416 1.1236 H 1 UNL1111111111 0.1417 39 H -3.3862 2.6927 -1.3276 H 1 UNL1111111111 0.1536 40 H 4.5447 1.8776 -1.4806 H 1 UNL1111111111 0.1583 41 H 4.7895 3.3134 -0.4931 H 1 UNL1111111111 0.1542 42 H -5.1272 1.7781 1.0986 H 1 UNL1111111111 0.1486 43 H -5.7452 2.7683 -0.2270 H 1 UNL1111111111 0.1620 44 H 5.5476 1.9226 1.4465 H 1 UNL1111111111 0.1446 45 H 6.5173 1.5946 0.0006 H 1 UNL1111111111 0.1580 46 H 5.8764 -0.5266 1.2252 H 1 UNL1111111111 0.1794 47 H 4.1613 -0.1512 1.0230 H 1 UNL1111111111 0.1859 48 H -5.3129 0.9582 -1.8814 H 1 UNL1111111111 0.1458 49 H -3.7499 3.9633 1.1702 H 1 UNL1111111111 0.3132 50 H -5.1703 -0.6379 0.7753 H 1 UNL1111111111 0.1478 51 H -6.5284 -1.9995 -1.0759 H 1 UNL1111111111 0.1461 52 H -5.2635 -1.4857 -2.1961 H 1 UNL1111111111 0.1406 53 H -4.8234 -3.1349 0.3836 H 1 UNL1111111111 0.1447 54 H -4.6258 -3.6958 -1.2811 H 1 UNL1111111111 0.1433 55 H -3.5050 -2.5116 -0.6041 H 1 UNL1111111111 0.1679 56 H 4.2585 -2.1324 -1.7330 H 1 UNL1111111111 0.3588 @BOND 1 1 9 1 2 1 12 1 3 2 8 1 4 2 36 1 5 3 12 2 6 4 17 1 7 4 49 1 8 5 24 1 9 5 56 1 10 6 24 2 11 7 8 1 12 7 9 1 13 7 10 1 14 7 27 1 15 8 11 1 16 8 28 1 17 9 13 1 18 9 29 1 19 10 14 1 20 10 30 1 21 10 31 1 22 11 12 1 23 11 32 1 24 11 33 1 25 13 15 2 26 13 34 1 27 14 16 2 28 14 35 1 29 15 17 1 30 15 37 1 31 16 18 1 32 16 38 1 33 17 19 1 34 17 39 1 35 18 20 1 36 18 40 1 37 18 41 1 38 19 22 1 39 19 42 1 40 19 43 1 41 20 21 1 42 20 44 1 43 20 45 1 44 21 24 1 45 21 46 1 46 21 47 1 47 22 23 2 48 22 48 1 49 23 25 1 50 23 50 1 51 25 26 1 52 25 51 1 53 25 52 1 54 26 53 1 55 26 54 1 56 26 55 1