@MOLECULE (3s)-5-{[(1s,6r)-2,5-dioxo-6-{[(1s,4as,8as)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]methyl}-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy}-3-hydroxy-3-methyl-5-oxopentanoic acid 74 77 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3137 -4.1121 1.0862 O.3 1 UNL11 -0.2804 2 O 1.1216 -2.8083 -1.8160 O.2 1 UNL11 -0.3659 3 O -2.8414 -3.4854 1.7057 O.2 1 UNL11 -0.3727 4 O -4.1770 -1.6547 -0.4118 O.3 1 UNL11 -0.3972 5 O -3.1678 -0.5032 -2.0598 O.2 1 UNL11 -0.5374 6 O -3.4123 2.2127 -1.8641 O.3 1 UNL11 -0.5792 7 O -3.8979 5.0485 1.4166 O.3 1 UNL11 -0.5858 8 O -2.0517 4.4217 0.3581 O.2 1 UNL11 -0.4954 9 C 3.3986 -0.1993 0.2844 C.3 1 UNL11 0.0863 10 C 3.2769 1.2828 -0.1832 C.3 1 UNL11 -0.1466 11 C 1.9280 -0.7045 0.5429 C.3 1 UNL11 -0.1496 12 C 4.5735 1.9305 -0.7408 C.3 1 UNL11 0.1028 13 C 4.0231 -1.0157 -0.8671 C.3 1 UNL11 -0.2993 14 C 2.6370 2.1327 0.9252 C.3 1 UNL11 -0.2748 15 C 1.8877 -2.2062 0.8729 C.3 1 UNL11 -0.2994 16 C 5.1950 0.9996 -1.8076 C.3 1 UNL11 -0.2971 17 C 0.5784 -2.8365 0.4922 C.3 1 UNL11 0.0601 18 C 5.3687 -0.4342 -1.3069 C.3 1 UNL11 -0.2587 19 C 1.2962 0.1599 1.6031 C.2 1 UNL11 0.0728 20 C 4.2110 -0.3945 1.5670 C.3 1 UNL11 -0.4672 21 C 1.2254 1.6110 1.2257 C.3 1 UNL11 -0.3024 22 C -0.5423 -3.0314 1.4594 C.3 1 UNL11 -0.1142 23 C 5.6126 2.2740 0.3329 C.3 1 UNL11 -0.4642 24 C 4.1940 3.2478 -1.4596 C.3 1 UNL11 -0.4719 25 C 0.2518 -2.8032 -0.9844 C.2 1 UNL11 0.4190 26 C -1.9507 -3.1827 0.9554 C.2 1 UNL11 0.4262 27 C 0.8438 -0.2583 2.7869 C.2 1 UNL11 -0.4090 28 C -1.1812 -2.7518 -1.3635 C.2 1 UNL11 -0.1835 29 C -2.1794 -2.9372 -0.4939 C.2 1 UNL11 -0.1196 30 C -3.6188 -2.8719 -0.9062 C.3 1 UNL11 -0.0220 31 C -3.8307 -0.5111 -1.0502 C.2 1 UNL11 0.6269 32 C -4.3875 0.6619 -0.3125 C.3 1 UNL11 -0.4407 33 C -3.4563 1.8967 -0.4937 C.3 1 UNL11 0.3866 34 C -4.1372 3.1218 0.1504 C.3 1 UNL11 -0.3936 35 C -2.0562 1.6042 0.0266 C.3 1 UNL11 -0.5215 36 C -3.2087 4.2029 0.5932 C.2 1 UNL11 0.6649 37 H 2.5629 1.2677 -1.0520 H 1 UNL11 0.1413 38 H 1.3616 -0.5441 -0.4124 H 1 UNL11 0.1511 39 H 4.1641 -2.0705 -0.5640 H 1 UNL11 0.1379 40 H 3.3270 -1.0454 -1.7285 H 1 UNL11 0.1501 41 H 3.2564 2.1100 1.8401 H 1 UNL11 0.1436 42 H 2.5818 3.1948 0.6223 H 1 UNL11 0.1425 43 H 2.6979 -2.7448 0.3256 H 1 UNL11 0.1793 44 H 2.1190 -2.3813 1.9435 H 1 UNL11 0.1694 45 H 4.5535 0.9958 -2.7100 H 1 UNL11 0.1396 46 H 6.1698 1.4067 -2.1323 H 1 UNL11 0.1348 47 H 6.0942 -0.4676 -0.4735 H 1 UNL11 0.1363 48 H 5.8045 -1.0622 -2.1076 H 1 UNL11 0.1319 49 H 3.7382 0.0981 2.4248 H 1 UNL11 0.1529 50 H 4.3177 -1.4552 1.8166 H 1 UNL11 0.1432 51 H 5.2225 0.0161 1.4723 H 1 UNL11 0.1508 52 H 0.7624 2.2213 2.0247 H 1 UNL11 0.1470 53 H 0.5766 1.7484 0.3362 H 1 UNL11 0.1534 54 H -0.4631 -2.7035 2.5030 H 1 UNL11 0.1910 55 H 6.4583 2.8218 -0.0973 H 1 UNL11 0.1433 56 H 5.1866 2.8998 1.1232 H 1 UNL11 0.1442 57 H 6.0204 1.3741 0.8068 H 1 UNL11 0.1470 58 H 3.8493 4.0083 -0.7521 H 1 UNL11 0.1465 59 H 5.0550 3.6676 -1.9890 H 1 UNL11 0.1428 60 H 3.3981 3.0944 -2.1947 H 1 UNL11 0.1457 61 H 0.8943 -1.2710 3.1431 H 1 UNL11 0.1442 62 H 0.3983 0.4001 3.5144 H 1 UNL11 0.1478 63 H -1.3628 -2.5411 -2.4259 H 1 UNL11 0.1978 64 H -4.2437 -3.6354 -0.3905 H 1 UNL11 0.1762 65 H -3.7689 -2.9423 -2.0001 H 1 UNL11 0.1531 66 H -5.3996 0.8932 -0.7118 H 1 UNL11 0.1928 67 H -4.5258 0.4293 0.7639 H 1 UNL11 0.1926 68 H -4.7810 2.8165 1.0042 H 1 UNL11 0.1880 69 H -4.8432 3.5615 -0.6026 H 1 UNL11 0.2099 70 H -1.6477 0.6701 -0.3753 H 1 UNL11 0.1620 71 H -1.3598 2.4041 -0.2880 H 1 UNL11 0.1990 72 H -2.0198 1.5468 1.1185 H 1 UNL11 0.1629 73 H -3.0478 1.4580 -2.3850 H 1 UNL11 0.3544 74 H -3.3615 5.8103 1.7411 H 1 UNL11 0.3573 @BOND 1 1 17 1 2 1 22 1 3 2 25 2 4 3 26 2 5 4 30 1 6 4 31 1 7 5 31 2 8 6 73 1 9 7 36 1 10 7 74 1 11 8 36 2 12 9 10 1 13 9 13 1 14 9 20 1 15 10 12 1 16 10 14 1 17 10 37 1 18 11 9 1 19 11 15 1 20 11 19 1 21 11 38 1 22 12 16 1 23 12 23 1 24 12 24 1 25 13 18 1 26 13 39 1 27 13 40 1 28 14 21 1 29 14 41 1 30 14 42 1 31 15 17 1 32 15 43 1 33 15 44 1 34 16 18 1 35 16 45 1 36 16 46 1 37 17 22 1 38 17 25 1 39 18 47 1 40 18 48 1 41 19 21 1 42 19 27 2 43 20 49 1 44 20 50 1 45 20 51 1 46 21 52 1 47 21 53 1 48 22 26 1 49 22 54 1 50 23 55 1 51 23 56 1 52 23 57 1 53 24 58 1 54 24 59 1 55 24 60 1 56 25 28 1 57 26 29 1 58 27 61 1 59 27 62 1 60 28 29 2 61 28 63 1 62 29 30 1 63 30 64 1 64 30 65 1 65 31 32 1 66 32 33 1 67 32 66 1 68 32 67 1 69 33 6 1 70 33 34 1 71 33 35 1 72 34 36 1 73 34 68 1 74 34 69 1 75 35 70 1 76 35 71 1 77 35 72 1