@MOLECULE (3r,5r)-7-[(1s,2s,6r,8s,8ar)-2,6-dimethyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]-3,5-dihydroxyheptanoic acid 68 69 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.2479 -0.6090 -0.8873 O.3 1 UNL11111111 -0.4108 2 O 1.4794 -2.9357 0.2070 O.3 1 UNL11111111 -0.6139 3 O -0.4820 -1.9108 -1.3311 O.2 1 UNL11111111 -0.5823 4 O 5.1784 -1.2297 1.1655 O.3 1 UNL11111111 -0.5616 5 O 4.8551 1.9094 -2.3459 O.3 1 UNL11111111 -0.5661 6 O 3.4984 2.1084 -0.5928 O.2 1 UNL11111111 -0.5198 7 C -1.3085 1.4802 -0.1547 C.3 1 UNL11111111 -0.1685 8 C -0.4957 0.7829 0.9606 C.3 1 UNL11111111 -0.1168 9 C -1.5640 0.5610 -1.3639 C.3 1 UNL11111111 0.1213 10 C -0.2441 1.7720 2.1271 C.3 1 UNL11111111 -0.0979 11 C -2.6123 1.9899 0.4017 C.2 1 UNL11111111 -0.0055 12 C 0.8263 0.1846 0.4618 C.3 1 UNL11111111 -0.3056 13 C -2.5163 1.2075 -2.3723 C.3 1 UNL11111111 -0.3164 14 C -3.8672 1.5992 -1.7483 C.3 1 UNL11111111 -0.0634 15 C -3.7351 2.0573 -0.3303 C.2 1 UNL11111111 -0.1978 16 C -1.5483 2.3450 2.5927 C.2 1 UNL11111111 -0.1452 17 C -2.6151 2.4451 1.7900 C.2 1 UNL11111111 -0.1936 18 C 1.3746 -0.8536 1.4475 C.3 1 UNL11111111 -0.3319 19 C 0.6817 2.9396 1.7588 C.3 1 UNL11111111 -0.4434 20 C -4.8599 0.4261 -1.7917 C.3 1 UNL11111111 -0.4449 21 C 2.2619 -1.9269 0.7907 C.3 1 UNL11111111 0.1950 22 C 3.2334 -1.3768 -0.2713 C.3 1 UNL11111111 -0.4053 23 C -1.5817 -1.7741 -0.8380 C.2 1 UNL11111111 0.6189 24 C -2.4083 -2.8362 -0.1529 C.3 1 UNL11111111 -0.1573 25 C 4.2864 -0.4814 0.3733 C.3 1 UNL11111111 0.1902 26 C -2.4701 -2.5510 1.3590 C.3 1 UNL11111111 -0.2463 27 C 5.1103 0.2836 -0.6858 C.3 1 UNL11111111 -0.4255 28 C -1.7649 -4.1953 -0.4231 C.3 1 UNL11111111 -0.4463 29 C -3.4739 -1.4532 1.6966 C.3 1 UNL11111111 -0.4577 30 C 4.3810 1.4990 -1.1394 C.2 1 UNL11111111 0.6612 31 H -0.7186 2.3616 -0.5229 H 1 UNL11111111 0.1655 32 H -1.1342 -0.0477 1.3590 H 1 UNL11111111 0.1468 33 H -0.6087 0.2691 -1.8595 H 1 UNL11111111 0.1481 34 H 0.2311 1.1947 2.9607 H 1 UNL11111111 0.1408 35 H 0.6862 -0.2820 -0.5322 H 1 UNL11111111 0.1587 36 H 1.5742 0.9855 0.2895 H 1 UNL11111111 0.1633 37 H -2.0267 2.1062 -2.7956 H 1 UNL11111111 0.1482 38 H -2.6806 0.5178 -3.2226 H 1 UNL11111111 0.1545 39 H -4.2938 2.4412 -2.3551 H 1 UNL11111111 0.1349 40 H -4.6601 2.4457 0.0947 H 1 UNL11111111 0.1446 41 H -1.5657 2.6942 3.6213 H 1 UNL11111111 0.1403 42 H -3.5503 2.8754 2.1488 H 1 UNL11111111 0.1467 43 H 0.5424 -1.3773 1.9602 H 1 UNL11111111 0.1496 44 H 1.9414 -0.3459 2.2505 H 1 UNL11111111 0.1463 45 H 0.8729 3.5802 2.6255 H 1 UNL11111111 0.1391 46 H 0.2461 3.5694 0.9755 H 1 UNL11111111 0.1469 47 H 1.6546 2.5873 1.3895 H 1 UNL11111111 0.1625 48 H -5.8445 0.7232 -1.4177 H 1 UNL11111111 0.1391 49 H -4.5086 -0.4067 -1.1678 H 1 UNL11111111 0.1613 50 H -4.9880 0.0467 -2.8095 H 1 UNL11111111 0.1402 51 H 2.8256 -2.4920 1.5729 H 1 UNL11111111 0.1361 52 H 3.6992 -2.2324 -0.7980 H 1 UNL11111111 0.1592 53 H 2.6752 -0.8325 -1.0563 H 1 UNL11111111 0.1686 54 H -3.4457 -2.8163 -0.5745 H 1 UNL11111111 0.1699 55 H 3.8471 0.2286 1.1183 H 1 UNL11111111 0.1651 56 H 0.8079 -2.5844 -0.4155 H 1 UNL11111111 0.3582 57 H -1.4629 -2.2875 1.7390 H 1 UNL11111111 0.1459 58 H -2.7465 -3.4831 1.8930 H 1 UNL11111111 0.1498 59 H 6.0884 0.5807 -0.2381 H 1 UNL11111111 0.2007 60 H 5.3794 -0.3689 -1.5417 H 1 UNL11111111 0.1878 61 H -1.6499 -4.3836 -1.4981 H 1 UNL11111111 0.1567 62 H -2.3591 -5.0128 -0.0018 H 1 UNL11111111 0.1496 63 H -0.7547 -4.2579 0.0137 H 1 UNL11111111 0.1741 64 H 5.4541 -2.0555 0.7234 H 1 UNL11111111 0.3190 65 H -4.4975 -1.7429 1.4374 H 1 UNL11111111 0.1443 66 H -3.4580 -1.2129 2.7654 H 1 UNL11111111 0.1466 67 H -3.2618 -0.5169 1.1552 H 1 UNL11111111 0.1721 68 H 4.4125 2.7223 -2.6921 H 1 UNL11111111 0.3560 @BOND 1 38 13 1 2 50 20 1 3 37 13 1 4 68 5 1 5 13 14 1 6 13 9 1 7 39 14 1 8 5 30 1 9 33 9 1 10 20 14 1 11 20 48 1 12 20 49 1 13 14 15 1 14 60 27 1 15 61 28 1 16 9 1 1 17 9 7 1 18 3 23 2 19 30 27 1 20 30 6 2 21 53 22 1 22 1 23 1 23 23 24 1 24 52 22 1 25 27 59 1 26 27 25 1 27 54 24 1 28 35 12 1 29 31 7 1 30 28 24 1 31 28 62 1 32 28 63 1 33 56 2 1 34 15 40 1 35 15 11 2 36 22 25 1 37 22 21 1 38 7 11 1 39 7 8 1 40 24 26 1 41 2 21 1 42 36 12 1 43 25 55 1 44 25 4 1 45 11 17 1 46 12 8 1 47 12 18 1 48 64 4 1 49 21 18 1 50 21 51 1 51 8 32 1 52 8 10 1 53 46 19 1 54 67 29 1 55 26 29 1 56 26 57 1 57 26 58 1 58 47 19 1 59 65 29 1 60 18 43 1 61 18 44 1 62 29 66 1 63 19 10 1 64 19 45 1 65 17 42 1 66 17 16 2 67 10 16 1 68 10 34 1 69 16 41 1