@MOLECULE (4ar,6as,12ar,12bs)-11-hydroxy-4,4,6a,9,12b-pentamethyl-3-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2h-benzo[a]xanthene-8-carbaldehyde 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.1780 1.2478 -0.4003 O.3 1 UNL111111111 -0.3181 2 O 5.4565 -1.0938 0.4986 O.2 1 UNL111111111 -0.4724 3 O -2.6151 -3.2489 -0.6784 O.3 1 UNL111111111 -0.4693 4 O -3.1150 2.9648 0.3453 O.2 1 UNL111111111 -0.4324 5 C 1.4189 -0.5450 -0.1913 C.3 1 UNL111111111 0.0846 6 C 2.4398 0.6267 -0.2784 C.3 1 UNL111111111 -0.1404 7 C 0.4282 -0.3586 -1.3882 C.3 1 UNL111111111 -0.1888 8 C -0.2186 1.0385 -1.4574 C.3 1 UNL111111111 0.2816 9 C 3.6935 0.5122 0.6231 C.3 1 UNL111111111 -0.0126 10 C 1.7066 1.9584 -0.0669 C.3 1 UNL111111111 -0.2696 11 C 2.1866 -1.8710 -0.4191 C.3 1 UNL111111111 -0.2859 12 C 0.7516 2.2083 -1.2323 C.3 1 UNL111111111 -0.3109 13 C -0.6824 -1.4258 -1.4237 C.3 1 UNL111111111 -0.2379 14 C 0.6746 -0.6167 1.1408 C.3 1 UNL111111111 -0.4660 15 C 3.3109 -2.0655 0.5948 C.3 1 UNL111111111 -0.3798 16 C 4.2673 -0.9032 0.5554 C.2 1 UNL111111111 0.4628 17 C -0.9711 1.2424 -2.7789 C.3 1 UNL111111111 -0.5074 18 C 3.4497 0.8232 2.1031 C.3 1 UNL111111111 -0.4519 19 C 4.7725 1.4749 0.0936 C.3 1 UNL111111111 -0.4506 20 C -1.8650 -1.0498 -0.6030 C.ar 1 UNL111111111 -0.2699 21 C -2.0535 0.2646 -0.1539 C.ar 1 UNL111111111 0.3607 22 C -2.8235 -1.9886 -0.2228 C.ar 1 UNL111111111 0.3554 23 C -3.1445 0.6248 0.6594 C.ar 1 UNL111111111 -0.3785 24 C -4.0722 -0.3562 1.0286 C.ar 1 UNL111111111 0.2070 25 C -3.9214 -1.6686 0.5840 C.ar 1 UNL111111111 -0.4233 26 C -3.3041 2.0264 1.0805 C.2 1 UNL111111111 0.3791 27 C -5.2404 -0.0020 1.8862 C.3 1 UNL111111111 -0.4683 28 H 2.8306 0.6187 -1.3330 H 1 UNL111111111 0.1401 29 H 1.0367 -0.4737 -2.3230 H 1 UNL111111111 0.1483 30 H 1.1490 1.9532 0.8896 H 1 UNL111111111 0.1537 31 H 2.4260 2.7950 0.0114 H 1 UNL111111111 0.1407 32 H 1.4867 -2.7276 -0.3566 H 1 UNL111111111 0.1486 33 H 2.6023 -1.8975 -1.4445 H 1 UNL111111111 0.1412 34 H 1.3198 2.3988 -2.1619 H 1 UNL111111111 0.1499 35 H 0.1614 3.1310 -1.0405 H 1 UNL111111111 0.1666 36 H -1.0009 -1.6009 -2.4754 H 1 UNL111111111 0.1514 37 H -0.2875 -2.4104 -1.0894 H 1 UNL111111111 0.1626 38 H 0.1050 0.2997 1.3398 H 1 UNL111111111 0.1613 39 H 1.3533 -0.7671 1.9861 H 1 UNL111111111 0.1436 40 H -0.0431 -1.4461 1.1542 H 1 UNL111111111 0.1552 41 H 2.9075 -2.1773 1.6210 H 1 UNL111111111 0.1685 42 H 3.8554 -3.0110 0.3900 H 1 UNL111111111 0.1685 43 H -1.7663 0.4987 -2.9117 H 1 UNL111111111 0.1647 44 H -0.3043 1.1832 -3.6427 H 1 UNL111111111 0.1543 45 H -1.4652 2.2244 -2.7933 H 1 UNL111111111 0.1710 46 H 2.6992 0.1627 2.5513 H 1 UNL111111111 0.1503 47 H 4.3742 0.7183 2.6857 H 1 UNL111111111 0.1528 48 H 3.0986 1.8530 2.2387 H 1 UNL111111111 0.1558 49 H 5.7096 1.3594 0.6567 H 1 UNL111111111 0.1638 50 H 5.0163 1.2717 -0.9548 H 1 UNL111111111 0.1484 51 H 4.4634 2.5206 0.1756 H 1 UNL111111111 0.1446 52 H -4.6411 -2.4296 0.8559 H 1 UNL111111111 0.1673 53 H -3.6181 2.1984 2.1210 H 1 UNL111111111 0.1033 54 H -3.3185 -3.8754 -0.3786 H 1 UNL111111111 0.3299 55 H -4.9184 0.3610 2.8741 H 1 UNL111111111 0.1660 56 H -5.8524 0.7891 1.4252 H 1 UNL111111111 0.1700 57 H -5.9105 -0.8543 2.0648 H 1 UNL111111111 0.1603 @BOND 1 1 8 1 2 1 21 1 3 2 16 2 4 3 22 1 5 3 54 1 6 4 26 2 7 5 6 1 8 5 7 1 9 5 11 1 10 5 14 1 11 6 9 1 12 6 10 1 13 6 28 1 14 7 8 1 15 7 13 1 16 7 29 1 17 8 12 1 18 8 17 1 19 9 16 1 20 9 18 1 21 9 19 1 22 10 12 1 23 10 30 1 24 10 31 1 25 11 15 1 26 11 32 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 20 1 31 13 36 1 32 13 37 1 33 14 38 1 34 14 39 1 35 14 40 1 36 15 16 1 37 15 41 1 38 15 42 1 39 17 43 1 40 17 44 1 41 17 45 1 42 18 46 1 43 18 47 1 44 18 48 1 45 19 49 1 46 19 50 1 47 19 51 1 48 20 21 ar 49 20 22 ar 50 21 23 ar 51 22 25 ar 52 23 24 ar 53 23 26 1 54 24 25 ar 55 24 27 1 56 25 52 1 57 26 53 1 58 27 55 1 59 27 56 1 60 27 57 1