@MOLECULE (3e)-5-(hydroxymethyl)-3-(hydroxy{1,3,6-trimethyl-2-[(1e,3e)-1,3-pentadien-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}methylene)-1-methyl-2,4-pyrrolidinedione 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.3569 -0.8551 1.5428 O.2 1 UNL1111111111 -0.4353 2 O 2.6593 0.2027 2.3657 O.2 1 UNL1111111111 -0.5230 3 O 1.3109 1.9141 -1.7837 O.2 1 UNL1111111111 -0.5294 4 O 4.9270 0.2162 -0.4454 O.3 1 UNL1111111111 -0.5269 5 N 3.0217 2.4195 -0.3467 N.am 1 UNL1111111111 -0.4753 6 C -1.4603 1.0620 -0.5914 C.3 1 UNL1111111111 -0.1231 7 C -0.7193 -0.3023 -0.4779 C.3 1 UNL1111111111 0.0224 8 C -1.9000 1.4987 0.8249 C.3 1 UNL1111111111 -0.1148 9 C -2.6529 0.9887 -1.5576 C.3 1 UNL1111111111 -0.2679 10 C -1.7237 -1.3797 0.0413 C.3 1 UNL1111111111 -0.1277 11 C -2.7085 2.8067 0.7640 C.3 1 UNL1111111111 -0.2858 12 C -3.8966 2.6976 -0.2046 C.3 1 UNL1111111111 -0.0727 13 C -3.3798 2.3373 -1.6068 C.3 1 UNL1111111111 -0.2805 14 C -2.6479 0.4099 1.5257 C.2 1 UNL1111111111 -0.2196 15 C -2.5443 -0.8852 1.2047 C.2 1 UNL1111111111 0.0142 16 C -0.1503 -0.7542 -1.8264 C.3 1 UNL1111111111 -0.4681 17 C 0.4527 -0.0940 0.4623 C.2 1 UNL1111111111 0.5058 18 C -4.6727 4.0180 -0.2436 C.3 1 UNL1111111111 -0.4621 19 C -1.0314 -2.6724 0.3581 C.2 1 UNL1111111111 -0.1343 20 C -3.2986 -1.9317 1.9569 C.3 1 UNL1111111111 -0.4536 21 C 1.5361 0.7418 0.3328 C.2 1 UNL1111111111 -0.5962 22 C 2.5875 0.8258 1.3271 C.2 1 UNL1111111111 0.5062 23 C 1.8817 1.6830 -0.7435 C.2 1 UNL1111111111 0.6418 24 C -0.8550 -3.6379 -0.5549 C.2 1 UNL1111111111 -0.1835 25 C 3.6440 1.8345 0.8539 C.3 1 UNL1111111111 -0.0861 26 C 4.9897 1.1214 0.6298 C.3 1 UNL1111111111 -0.0271 27 C -0.1675 -4.8816 -0.2426 C.2 1 UNL1111111111 -0.1867 28 C 3.8688 3.0360 -1.3614 C.3 1 UNL1111111111 -0.2256 29 C 0.0487 -5.8318 -1.1632 C.2 1 UNL1111111111 -0.1156 30 C 0.7552 -7.1063 -0.8643 C.3 1 UNL1111111111 -0.4507 31 H -0.7490 1.8276 -0.9966 H 1 UNL1111111111 0.1765 32 H -0.9761 1.7135 1.4305 H 1 UNL1111111111 0.1417 33 H -3.3639 0.2019 -1.2436 H 1 UNL1111111111 0.1396 34 H -2.3021 0.7148 -2.5699 H 1 UNL1111111111 0.1384 35 H -2.4542 -1.5627 -0.8001 H 1 UNL1111111111 0.1608 36 H -3.0660 3.0761 1.7742 H 1 UNL1111111111 0.1347 37 H -2.0433 3.6326 0.4462 H 1 UNL1111111111 0.1437 38 H -4.5759 1.8858 0.1503 H 1 UNL1111111111 0.1342 39 H -2.7009 3.1253 -1.9803 H 1 UNL1111111111 0.1444 40 H -4.2178 2.2912 -2.3242 H 1 UNL1111111111 0.1305 41 H -3.2784 0.7423 2.3465 H 1 UNL1111111111 0.1482 42 H -0.9445 -1.0617 -2.5157 H 1 UNL1111111111 0.1563 43 H 0.5330 -1.6043 -1.7175 H 1 UNL1111111111 0.1585 44 H 0.4029 0.0541 -2.3311 H 1 UNL1111111111 0.1908 45 H -4.0439 4.8444 -0.5920 H 1 UNL1111111111 0.1452 46 H -5.0514 4.2864 0.7480 H 1 UNL1111111111 0.1414 47 H -5.5336 3.9525 -0.9170 H 1 UNL1111111111 0.1413 48 H -0.6847 -2.7838 1.3856 H 1 UNL1111111111 0.1615 49 H -3.6149 -2.7610 1.3095 H 1 UNL1111111111 0.1554 50 H -4.2023 -1.5326 2.4355 H 1 UNL1111111111 0.1513 51 H -2.6750 -2.3645 2.7541 H 1 UNL1111111111 0.1610 52 H 1.1248 -0.7185 2.2058 H 1 UNL1111111111 0.3798 53 H -1.2166 -3.5307 -1.5781 H 1 UNL1111111111 0.1471 54 H 3.7729 2.6459 1.6177 H 1 UNL1111111111 0.1782 55 H 5.7816 1.8270 0.3135 H 1 UNL1111111111 0.1519 56 H 5.3106 0.5931 1.5484 H 1 UNL1111111111 0.1388 57 H 0.1698 -5.0015 0.7875 H 1 UNL1111111111 0.1504 58 H 4.4444 3.8636 -0.9164 H 1 UNL1111111111 0.1391 59 H 3.2257 3.4546 -2.1618 H 1 UNL1111111111 0.1704 60 H 4.5673 2.3174 -1.8287 H 1 UNL1111111111 0.1490 61 H -0.2827 -5.7218 -2.1950 H 1 UNL1111111111 0.1401 62 H 4.2732 -0.4923 -0.2689 H 1 UNL1111111111 0.3171 63 H 1.6596 -7.2123 -1.4822 H 1 UNL1111111111 0.1564 64 H 1.0703 -7.1873 0.1847 H 1 UNL1111111111 0.1522 65 H 0.1145 -7.9749 -1.0774 H 1 UNL1111111111 0.1550 @BOND 1 1 17 1 2 1 52 1 3 2 22 2 4 3 23 2 5 4 26 1 6 4 62 1 7 5 23 am 8 5 25 1 9 5 28 1 10 6 7 1 11 6 8 1 12 6 9 1 13 6 31 1 14 7 10 1 15 7 16 1 16 7 17 1 17 8 11 1 18 8 14 1 19 8 32 1 20 9 13 1 21 9 33 1 22 9 34 1 23 10 15 1 24 10 19 1 25 10 35 1 26 11 12 1 27 11 36 1 28 11 37 1 29 12 13 1 30 12 18 1 31 12 38 1 32 13 39 1 33 13 40 1 34 14 15 2 35 14 41 1 36 15 20 1 37 16 42 1 38 16 43 1 39 16 44 1 40 17 21 2 41 18 45 1 42 18 46 1 43 18 47 1 44 19 24 2 45 19 48 1 46 20 49 1 47 20 50 1 48 20 51 1 49 21 22 1 50 21 23 1 51 22 25 1 52 24 27 1 53 24 53 1 54 25 26 1 55 25 54 1 56 26 55 1 57 26 56 1 58 27 29 2 59 27 57 1 60 28 58 1 61 28 59 1 62 28 60 1 63 29 30 1 64 29 61 1 65 30 63 1 66 30 64 1 67 30 65 1