@MOLECULE (3r,5r)-3,5-dihydroxy-7-[(1r,2r,3s,6r,8ar)-3-hydroxy-2,6-dimethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]heptanoic acid 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0957 0.5774 2.9792 O.3 1 UNL1111111111 -0.5631 2 O 1.7664 2.0065 -2.4535 O.3 1 UNL1111111111 -0.5641 3 O 4.0042 -1.0507 -1.2335 O.3 1 UNL1111111111 -0.5707 4 O 6.8308 -0.8101 1.8781 O.3 1 UNL1111111111 -0.5520 5 O 5.6308 -2.2052 0.6209 O.2 1 UNL1111111111 -0.5344 6 C -2.7872 -0.0037 -0.6199 C.3 1 UNL1111111111 -0.1434 7 C -1.4680 0.4722 0.0368 C.3 1 UNL1111111111 -0.1241 8 C -1.6829 1.7308 0.8998 C.3 1 UNL1111111111 -0.1528 9 C -3.9777 0.1372 0.2879 C.2 1 UNL1111111111 0.0653 10 C -2.6380 -1.4798 -1.0451 C.3 1 UNL1111111111 -0.2687 11 C -0.3939 0.6923 -1.0428 C.3 1 UNL1111111111 -0.2752 12 C -5.1192 -1.8844 -0.6991 C.3 1 UNL1111111111 -0.0643 13 C -5.2625 -0.4170 -0.2529 C.3 1 UNL1111111111 -0.3129 14 C -2.7101 1.4103 2.0104 C.3 1 UNL1111111111 0.1557 15 C -3.9303 -2.0165 -1.6652 C.3 1 UNL1111111111 -0.2847 16 C -3.9437 0.7613 1.4707 C.2 1 UNL1111111111 -0.3198 17 C -2.1584 2.9453 0.1028 C.3 1 UNL1111111111 -0.4484 18 C 0.9884 0.9342 -0.4279 C.3 1 UNL1111111111 -0.3358 19 C -4.9667 -2.8051 0.5157 C.3 1 UNL1111111111 -0.4520 20 C 2.0547 0.9786 -1.5308 C.3 1 UNL1111111111 0.1781 21 C 3.4675 1.2127 -0.9644 C.3 1 UNL1111111111 -0.3763 22 C 3.9813 -0.0403 -0.2517 C.3 1 UNL1111111111 0.1942 23 C 5.4082 0.1898 0.2993 C.3 1 UNL1111111111 -0.4280 24 C 5.9249 -1.0694 0.9062 C.2 1 UNL1111111111 0.6610 25 H -2.9789 0.6187 -1.5306 H 1 UNL1111111111 0.1536 26 H -1.1091 -0.3376 0.7216 H 1 UNL1111111111 0.1358 27 H -0.7158 1.9822 1.4021 H 1 UNL1111111111 0.1481 28 H -2.3572 -2.0958 -0.1701 H 1 UNL1111111111 0.1410 29 H -1.8065 -1.5820 -1.7684 H 1 UNL1111111111 0.1405 30 H -0.6688 1.5363 -1.7038 H 1 UNL1111111111 0.1503 31 H -0.3481 -0.1910 -1.7115 H 1 UNL1111111111 0.1455 32 H -6.0497 -2.1774 -1.2451 H 1 UNL1111111111 0.1264 33 H -6.0796 -0.3361 0.4916 H 1 UNL1111111111 0.1491 34 H -5.5869 0.2032 -1.1148 H 1 UNL1111111111 0.1501 35 H -2.9432 2.3223 2.6094 H 1 UNL1111111111 0.1420 36 H -4.1522 -1.4721 -2.6025 H 1 UNL1111111111 0.1369 37 H -3.7964 -3.0754 -1.9548 H 1 UNL1111111111 0.1386 38 H -4.8140 0.8324 2.1160 H 1 UNL1111111111 0.1587 39 H -3.1281 2.7582 -0.3738 H 1 UNL1111111111 0.1514 40 H -2.2739 3.8241 0.7472 H 1 UNL1111111111 0.1436 41 H -1.4481 3.2103 -0.6878 H 1 UNL1111111111 0.1451 42 H 0.9933 1.8756 0.1502 H 1 UNL1111111111 0.1406 43 H 1.2253 0.1297 0.2952 H 1 UNL1111111111 0.1519 44 H -5.8700 -2.7987 1.1350 H 1 UNL1111111111 0.1424 45 H -4.7792 -3.8402 0.2124 H 1 UNL1111111111 0.1431 46 H -4.1337 -2.4896 1.1549 H 1 UNL1111111111 0.1508 47 H 2.0308 0.0681 -2.1770 H 1 UNL1111111111 0.1651 48 H -2.0726 -0.3500 2.6757 H 1 UNL1111111111 0.3140 49 H 4.1357 1.4626 -1.8165 H 1 UNL1111111111 0.1748 50 H 3.4839 2.0829 -0.2886 H 1 UNL1111111111 0.1450 51 H 3.2966 -0.3666 0.5653 H 1 UNL1111111111 0.1241 52 H 1.6233 2.8605 -2.0085 H 1 UNL1111111111 0.3090 53 H 5.4249 1.0294 1.0241 H 1 UNL1111111111 0.1907 54 H 6.0860 0.4995 -0.5296 H 1 UNL1111111111 0.1997 55 H 4.4155 -1.8702 -0.8714 H 1 UNL1111111111 0.3481 56 H 7.2104 -1.6232 2.2992 H 1 UNL1111111111 0.3604 @BOND 1 1 14 1 2 1 48 1 3 2 20 1 4 2 52 1 5 3 22 1 6 3 55 1 7 4 24 1 8 4 56 1 9 5 24 2 10 6 7 1 11 6 9 1 12 6 10 1 13 6 25 1 14 7 8 1 15 7 11 1 16 7 26 1 17 8 14 1 18 8 17 1 19 8 27 1 20 9 13 1 21 9 16 2 22 10 15 1 23 10 28 1 24 10 29 1 25 11 18 1 26 11 30 1 27 11 31 1 28 12 13 1 29 12 15 1 30 12 19 1 31 12 32 1 32 13 33 1 33 13 34 1 34 14 16 1 35 14 35 1 36 15 36 1 37 15 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1 42 18 20 1 43 18 42 1 44 18 43 1 45 19 44 1 46 19 45 1 47 19 46 1 48 20 21 1 49 20 47 1 50 21 22 1 51 21 49 1 52 21 50 1 53 22 23 1 54 22 51 1 55 23 24 1 56 23 53 1 57 23 54 1