@MOLECULE (1s,7s,8s,8as)-8-{2-[(2r,4r)-4-hydroxy-6-oxotetrahydro-2h-pyran-2-yl]ethyl}-3,7-dimethyl-6-oxo-1,2,6,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate 67 69 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.2001 1.4653 -0.2694 O.3 1 UNL1111111111 -0.4632 2 O 3.6000 -1.7978 1.1217 O.3 1 UNL1111111111 -0.4162 3 O -2.7777 -4.6780 -0.4104 O.2 1 UNL1111111111 -0.4637 4 O 4.2270 1.1699 -1.4056 O.3 1 UNL1111111111 -0.5729 5 O -1.1586 3.0998 1.2577 O.2 1 UNL1111111111 -0.5235 6 O 5.6957 -2.1397 1.6496 O.2 1 UNL1111111111 -0.4493 7 C -1.1803 -1.5098 0.2742 C.3 1 UNL1111111111 -0.0926 8 C -2.3358 -0.5852 -0.1928 C.3 1 UNL1111111111 -0.1913 9 C -1.2667 -2.8528 -0.4806 C.3 1 UNL1111111111 -0.2075 10 C -2.2670 0.8167 0.4414 C.3 1 UNL1111111111 0.1505 11 C 0.1918 -0.8451 0.0935 C.3 1 UNL1111111111 -0.2784 12 C -3.6495 -1.2612 0.1120 C.2 1 UNL1111111111 0.1206 13 C -3.5308 1.6501 0.1881 C.3 1 UNL1111111111 -0.3685 14 C 1.3529 -1.7617 0.4892 C.3 1 UNL1111111111 -0.3059 15 C -2.6401 -3.4824 -0.2905 C.2 1 UNL1111111111 0.4710 16 C -3.7643 -2.6010 0.0364 C.2 1 UNL1111111111 -0.3633 17 C -4.8011 -0.4504 0.4684 C.2 1 UNL1111111111 -0.2926 18 C -4.7691 0.8915 0.5167 C.2 1 UNL1111111111 0.1249 19 C 2.6745 -0.9982 0.3731 C.3 1 UNL1111111111 0.1348 20 C -1.0189 -2.7431 -1.9859 C.3 1 UNL1111111111 -0.4342 21 C 3.1785 -0.8845 -1.0651 C.3 1 UNL1111111111 -0.3686 22 C 4.5383 -0.1814 -1.1038 C.3 1 UNL1111111111 0.1874 23 C -5.9559 1.7089 0.8855 C.3 1 UNL1111111111 -0.4697 24 C -0.7199 2.6286 0.2402 C.2 1 UNL1111111111 0.5958 25 C 0.3946 3.1834 -0.6328 C.3 1 UNL1111111111 0.0343 26 C 5.2717 -0.2340 0.2462 C.3 1 UNL1111111111 -0.4627 27 C 4.9133 -1.4540 1.0470 C.2 1 UNL1111111111 0.6049 28 C 1.7325 2.5841 -0.1548 C.3 1 UNL1111111111 -0.2712 29 C 0.3777 4.7079 -0.4847 C.3 1 UNL1111111111 -0.4520 30 C 0.1589 2.8005 -2.0981 C.3 1 UNL1111111111 -0.4501 31 C 1.9692 2.7283 1.3456 C.3 1 UNL1111111111 -0.4414 32 H -1.3240 -1.7191 1.3653 H 1 UNL1111111111 0.1464 33 H -2.2612 -0.4524 -1.3066 H 1 UNL1111111111 0.1791 34 H -0.5100 -3.5567 -0.0449 H 1 UNL1111111111 0.1689 35 H -2.0125 0.7759 1.5224 H 1 UNL1111111111 0.1484 36 H 0.3051 -0.4983 -0.9514 H 1 UNL1111111111 0.1465 37 H 0.2367 0.0720 0.7182 H 1 UNL1111111111 0.1520 38 H -3.4661 2.5961 0.7716 H 1 UNL1111111111 0.1835 39 H -3.5593 1.9699 -0.8776 H 1 UNL1111111111 0.1743 40 H 1.2278 -2.1232 1.5320 H 1 UNL1111111111 0.1687 41 H 1.3823 -2.6753 -0.1338 H 1 UNL1111111111 0.1578 42 H -4.7065 -3.1156 0.2233 H 1 UNL1111111111 0.1822 43 H -5.7147 -0.9990 0.7032 H 1 UNL1111111111 0.1699 44 H 2.6205 -0.0041 0.8741 H 1 UNL1111111111 0.1381 45 H -1.7544 -2.1000 -2.4817 H 1 UNL1111111111 0.1451 46 H -1.0813 -3.7327 -2.4616 H 1 UNL1111111111 0.1588 47 H -0.0238 -2.3386 -2.2003 H 1 UNL1111111111 0.1488 48 H 3.2521 -1.8886 -1.5260 H 1 UNL1111111111 0.1667 49 H 2.4507 -0.3206 -1.6872 H 1 UNL1111111111 0.1813 50 H 5.1764 -0.5797 -1.9241 H 1 UNL1111111111 0.1211 51 H -6.1453 2.5076 0.1532 H 1 UNL1111111111 0.1629 52 H -6.8781 1.1155 0.9601 H 1 UNL1111111111 0.1618 53 H -5.8097 2.1972 1.8629 H 1 UNL1111111111 0.1702 54 H 6.3709 -0.1931 0.1043 H 1 UNL1111111111 0.1822 55 H 5.0195 0.6730 0.8424 H 1 UNL1111111111 0.1946 56 H 1.7859 1.5152 -0.4465 H 1 UNL1111111111 0.1524 57 H 2.5627 3.0622 -0.7142 H 1 UNL1111111111 0.1559 58 H 0.4405 5.0096 0.5707 H 1 UNL1111111111 0.1665 59 H 1.2211 5.1667 -1.0116 H 1 UNL1111111111 0.1515 60 H -0.5440 5.1445 -0.8860 H 1 UNL1111111111 0.1503 61 H 0.9378 3.2211 -2.7448 H 1 UNL1111111111 0.1524 62 H 0.1667 1.7119 -2.2407 H 1 UNL1111111111 0.1586 63 H -0.8081 3.1661 -2.4616 H 1 UNL1111111111 0.1521 64 H 5.0344 1.6984 -1.5453 H 1 UNL1111111111 0.3184 65 H 2.9482 2.3273 1.6308 H 1 UNL1111111111 0.1411 66 H 1.2091 2.2025 1.9372 H 1 UNL1111111111 0.1533 67 H 1.9436 3.7790 1.6601 H 1 UNL1111111111 0.1526 @BOND 1 1 10 1 2 1 24 1 3 2 19 1 4 2 27 1 5 3 15 2 6 4 22 1 7 4 64 1 8 5 24 2 9 6 27 2 10 7 8 1 11 7 9 1 12 7 11 1 13 7 32 1 14 8 10 1 15 8 12 1 16 8 33 1 17 9 15 1 18 9 20 1 19 9 34 1 20 10 13 1 21 10 35 1 22 11 14 1 23 11 36 1 24 11 37 1 25 12 16 2 26 12 17 1 27 13 18 1 28 13 38 1 29 13 39 1 30 14 19 1 31 14 40 1 32 14 41 1 33 15 16 1 34 16 42 1 35 17 18 2 36 17 43 1 37 18 23 1 38 19 21 1 39 19 44 1 40 20 45 1 41 20 46 1 42 20 47 1 43 21 22 1 44 21 48 1 45 21 49 1 46 22 26 1 47 22 50 1 48 23 51 1 49 23 52 1 50 23 53 1 51 24 25 1 52 25 28 1 53 25 29 1 54 25 30 1 55 26 27 1 56 26 54 1 57 26 55 1 58 28 31 1 59 28 56 1 60 28 57 1 61 29 58 1 62 29 59 1 63 29 60 1 64 30 61 1 65 30 62 1 66 30 63 1 67 31 65 1 68 31 66 1 69 31 67 1