@MOLECULE (3r,5r)-3,5-dihydroxy-7-[(1r,2r,6s,8s,8ar)-3,5,6-trihydroxy-2-methyl-8-{[(2s)-2-methylbutanoyl]oxy}-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]heptanoic acid 70 71 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.6424 -1.6255 -0.4386 O.3 1 UNL11111111 -0.4516 2 O 4.3604 -0.9715 1.6660 O.3 1 UNL11111111 -0.5786 3 O 3.7062 -3.6210 1.4996 O.3 1 UNL11111111 -0.5556 4 O 4.5172 2.9271 -1.1758 O.2 1 UNL11111111 -0.4899 5 O -2.4072 4.5002 0.0348 O.3 1 UNL11111111 -0.5670 6 O -1.5314 -1.2259 -0.0424 O.2 1 UNL11111111 -0.5616 7 O -4.1173 1.3920 1.8568 O.3 1 UNL11111111 -0.5776 8 O -4.6042 -2.4161 0.1360 O.3 1 UNL11111111 -0.5652 9 O -4.3613 -1.3191 2.0592 O.2 1 UNL11111111 -0.5424 10 C 1.9735 0.1112 0.5175 C.3 1 UNL11111111 -0.1638 11 C 1.2920 1.3015 -0.1890 C.3 1 UNL11111111 -0.1088 12 C 3.1408 -0.3978 -0.3638 C.3 1 UNL11111111 -0.1459 13 C 1.0351 -1.0671 0.8256 C.3 1 UNL11111111 0.1286 14 C 3.9214 -1.4723 0.4149 C.3 1 UNL11111111 0.0880 15 C 2.2936 2.4870 -0.2661 C.3 1 UNL11111111 -0.1595 16 C 1.7705 -2.1892 1.5616 C.3 1 UNL11111111 -0.3637 17 C 2.9927 -2.6588 0.7630 C.3 1 UNL11111111 0.1509 18 C -0.0209 1.7159 0.4904 C.3 1 UNL11111111 -0.2908 19 C 4.0406 0.7152 -0.7765 C.2 1 UNL11111111 -0.3395 20 C 3.6265 1.9890 -0.7419 C.2 1 UNL11111111 0.2512 21 C -0.7515 2.8052 -0.2976 C.3 1 UNL11111111 -0.3392 22 C 2.4923 3.2056 1.0730 C.3 1 UNL11111111 -0.4428 23 C -2.1109 3.1499 0.3397 C.3 1 UNL11111111 0.1767 24 C -0.6667 -1.6672 -0.7582 C.2 1 UNL11111111 0.6310 25 C -3.2640 2.2564 -0.1434 C.3 1 UNL11111111 -0.3756 26 C -0.8450 -2.3335 -2.1018 C.3 1 UNL11111111 -0.1571 27 C -3.3940 0.9925 0.7129 C.3 1 UNL11111111 0.1971 28 C -1.5282 -1.3442 -3.0594 C.3 1 UNL11111111 -0.2512 29 C -1.7072 -3.5767 -1.8851 C.3 1 UNL11111111 -0.4499 30 C -4.1756 -0.1085 -0.0396 C.3 1 UNL11111111 -0.4119 31 C -0.6732 -0.1014 -3.2933 C.3 1 UNL11111111 -0.4477 32 C -4.3633 -1.2872 0.8524 C.2 1 UNL11111111 0.6850 33 H 2.3891 0.4643 1.4961 H 1 UNL11111111 0.1676 34 H 1.0588 0.9883 -1.2382 H 1 UNL11111111 0.1418 35 H 2.7167 -0.8702 -1.2909 H 1 UNL11111111 0.1660 36 H 0.1378 -0.7439 1.4017 H 1 UNL11111111 0.1540 37 H 4.8200 -1.8207 -0.1387 H 1 UNL11111111 0.1321 38 H 1.8911 3.2207 -1.0118 H 1 UNL11111111 0.1487 39 H 1.0941 -3.0462 1.7428 H 1 UNL11111111 0.1642 40 H 2.0913 -1.8354 2.5625 H 1 UNL11111111 0.1718 41 H 2.6942 -3.2125 -0.1557 H 1 UNL11111111 0.1469 42 H 0.1658 2.0480 1.5290 H 1 UNL11111111 0.1510 43 H -0.6873 0.8289 0.5772 H 1 UNL11111111 0.1631 44 H 5.0265 0.4479 -1.1424 H 1 UNL11111111 0.1738 45 H -0.8808 2.5009 -1.3505 H 1 UNL11111111 0.1351 46 H -0.1412 3.7313 -0.3236 H 1 UNL11111111 0.1548 47 H 3.3164 3.9266 1.0318 H 1 UNL11111111 0.1428 48 H 2.7258 2.4998 1.8804 H 1 UNL11111111 0.1562 49 H 1.5910 3.7576 1.3701 H 1 UNL11111111 0.1612 50 H 4.8247 -0.1182 1.5421 H 1 UNL11111111 0.3316 51 H -2.0588 3.1758 1.4539 H 1 UNL11111111 0.1596 52 H 4.1829 -3.1931 2.2453 H 1 UNL11111111 0.3334 53 H 4.1765 3.8452 -1.0814 H 1 UNL11111111 0.3247 54 H -3.1500 2.0009 -1.2086 H 1 UNL11111111 0.1423 55 H -4.2121 2.8365 -0.0570 H 1 UNL11111111 0.1825 56 H 0.1502 -2.6302 -2.5203 H 1 UNL11111111 0.1699 57 H -2.4044 0.6013 1.0509 H 1 UNL11111111 0.1417 58 H -2.5648 4.6283 -0.9166 H 1 UNL11111111 0.3082 59 H -2.5223 -1.0559 -2.6614 H 1 UNL11111111 0.1486 60 H -1.7316 -1.8516 -4.0229 H 1 UNL11111111 0.1444 61 H -1.9230 -4.0833 -2.8324 H 1 UNL11111111 0.1520 62 H -1.2127 -4.3046 -1.2298 H 1 UNL11111111 0.1557 63 H -2.6741 -3.3220 -1.4220 H 1 UNL11111111 0.1721 64 H -5.1664 0.2742 -0.3649 H 1 UNL11111111 0.1884 65 H -3.6306 -0.4023 -0.9634 H 1 UNL11111111 0.1933 66 H -0.5542 0.4838 -2.3717 H 1 UNL11111111 0.1507 67 H -1.1270 0.5573 -4.0424 H 1 UNL11111111 0.1460 68 H 0.3303 -0.3600 -3.6519 H 1 UNL11111111 0.1497 69 H -4.2812 0.6141 2.4395 H 1 UNL11111111 0.3471 70 H -4.7370 -3.2172 0.6995 H 1 UNL11111111 0.3555 @BOND 1 67 31 1 2 60 28 1 3 68 31 1 4 31 28 1 5 31 66 1 6 28 59 1 7 28 26 1 8 61 29 1 9 56 26 1 10 26 29 1 11 26 24 1 12 29 63 1 13 29 62 1 14 45 21 1 15 35 12 1 16 34 11 1 17 54 25 1 18 4 53 1 19 4 20 1 20 44 19 1 21 38 15 1 22 65 30 1 23 58 5 1 24 19 20 2 25 19 12 1 26 24 1 1 27 24 6 2 28 20 15 1 29 1 13 1 30 64 30 1 31 12 14 1 32 12 10 1 33 46 21 1 34 21 23 1 35 21 18 1 36 15 11 1 37 15 22 1 38 11 18 1 39 11 10 1 40 41 17 1 41 25 55 1 42 25 23 1 43 25 27 1 44 37 14 1 45 30 27 1 46 30 32 1 47 5 23 1 48 8 70 1 49 8 32 1 50 23 51 1 51 14 17 1 52 14 2 1 53 18 43 1 54 18 42 1 55 10 13 1 56 10 33 1 57 27 57 1 58 27 7 1 59 17 3 1 60 17 16 1 61 13 36 1 62 13 16 1 63 32 9 2 64 47 22 1 65 22 49 1 66 22 48 1 67 3 52 1 68 50 2 1 69 16 39 1 70 16 40 1 71 7 69 1