@MOLECULE (4as,4bs,6ar,9as,9bs)-7-ethynyl-7-hydroxy-4a,6a-dimethyl-4,4a,4b,6,6a,7,8,9,9a,9b,10,11-dodecahydrobenzo[h]cyclopenta[c]chromen-2(3h)-one 49 52 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1106 1.4048 0.0464 O.3 1 UNL1111111111 -0.4045 2 O 3.6132 0.2136 -1.8791 O.3 1 UNL1111111111 -0.5532 3 O -5.9369 0.2812 -0.9082 O.2 1 UNL1111111111 -0.4692 4 C 1.5406 -1.0119 -0.2815 C.3 1 UNL1111111111 -0.1316 5 C 2.2466 0.3149 0.1218 C.3 1 UNL1111111111 -0.0225 6 C 0.1437 -1.0382 0.3231 C.3 1 UNL1111111111 -0.1729 7 C -0.5870 0.2020 -0.2439 C.3 1 UNL1111111111 0.0863 8 C -1.9908 0.3895 0.3882 C.3 1 UNL1111111111 0.0213 9 C 3.6684 0.0594 -0.4677 C.3 1 UNL1111111111 0.3050 10 C 2.5542 -2.0976 0.1035 C.3 1 UNL1111111111 -0.2724 11 C 1.4264 1.4556 -0.4870 C.3 1 UNL1111111111 -0.0549 12 C 3.9179 -1.4647 -0.2574 C.3 1 UNL1111111111 -0.2873 13 C -0.6694 -2.2747 -0.0638 C.3 1 UNL1111111111 -0.2716 14 C -2.7696 -0.8952 0.2150 C.2 1 UNL1111111111 0.1006 15 C -2.0712 -2.1794 0.5541 C.3 1 UNL1111111111 -0.3024 16 C 2.3437 0.5350 1.6321 C.3 1 UNL1111111111 -0.4551 17 C -2.6666 1.5635 -0.3568 C.3 1 UNL1111111111 -0.2707 18 C -1.8842 0.7124 1.8842 C.3 1 UNL1111111111 -0.4443 19 C -4.1672 1.6312 -0.0913 C.3 1 UNL1111111111 -0.3807 20 C 4.7099 0.8905 0.0817 C.1 1 UNL1111111111 -0.1407 21 C -4.0535 -0.9069 -0.1714 C.2 1 UNL1111111111 -0.3635 22 C -4.8211 0.3176 -0.4452 C.2 1 UNL1111111111 0.4936 23 C 5.5934 1.5868 0.5283 C.1 1 UNL1111111111 -0.1723 24 H 1.4454 -1.0324 -1.4011 H 1 UNL1111111111 0.1581 25 H 0.2102 -0.9729 1.4330 H 1 UNL1111111111 0.1550 26 H -0.6742 0.1160 -1.3526 H 1 UNL1111111111 0.1252 27 H 2.3818 -3.0341 -0.4476 H 1 UNL1111111111 0.1404 28 H 2.4959 -2.3491 1.1739 H 1 UNL1111111111 0.1386 29 H 1.7695 2.4553 -0.1671 H 1 UNL1111111111 0.1435 30 H 1.3859 1.4088 -1.5886 H 1 UNL1111111111 0.1291 31 H 4.6688 -1.6405 0.5258 H 1 UNL1111111111 0.1466 32 H 4.3229 -1.8950 -1.1922 H 1 UNL1111111111 0.1664 33 H -0.1608 -3.1929 0.2836 H 1 UNL1111111111 0.1436 34 H -0.7414 -2.3689 -1.1641 H 1 UNL1111111111 0.1479 35 H -2.0009 -2.2623 1.6612 H 1 UNL1111111111 0.1590 36 H -2.6730 -3.0561 0.2363 H 1 UNL1111111111 0.1562 37 H 2.7784 -0.3268 2.1479 H 1 UNL1111111111 0.1484 38 H 2.9605 1.4100 1.8701 H 1 UNL1111111111 0.1504 39 H 1.3514 0.7218 2.0671 H 1 UNL1111111111 0.1641 40 H -2.4885 1.4694 -1.4469 H 1 UNL1111111111 0.1473 41 H -2.1756 2.5131 -0.0629 H 1 UNL1111111111 0.1603 42 H -1.4279 -0.1061 2.4498 H 1 UNL1111111111 0.1440 43 H -1.2599 1.6032 2.0425 H 1 UNL1111111111 0.1655 44 H -2.8682 0.9096 2.3233 H 1 UNL1111111111 0.1498 45 H -4.6311 2.4574 -0.6676 H 1 UNL1111111111 0.1719 46 H -4.3769 1.8638 0.9723 H 1 UNL1111111111 0.1689 47 H -4.6167 -1.8299 -0.3046 H 1 UNL1111111111 0.1776 48 H 3.7447 1.1447 -2.1416 H 1 UNL1111111111 0.3167 49 H 6.3451 2.1772 0.9098 H 1 UNL1111111111 0.1882 @BOND 1 1 7 1 2 1 11 1 3 2 9 1 4 2 48 1 5 3 22 2 6 4 5 1 7 4 6 1 8 4 10 1 9 4 24 1 10 5 9 1 11 5 11 1 12 5 16 1 13 6 7 1 14 6 13 1 15 6 25 1 16 7 8 1 17 7 26 1 18 8 14 1 19 8 17 1 20 8 18 1 21 9 12 1 22 9 20 1 23 10 12 1 24 10 27 1 25 10 28 1 26 11 29 1 27 11 30 1 28 12 31 1 29 12 32 1 30 13 15 1 31 13 33 1 32 13 34 1 33 14 15 1 34 14 21 2 35 15 35 1 36 15 36 1 37 16 37 1 38 16 38 1 39 16 39 1 40 17 19 1 41 17 40 1 42 17 41 1 43 18 42 1 44 18 43 1 45 18 44 1 46 19 22 1 47 19 45 1 48 19 46 1 49 20 23 3 50 21 22 1 51 21 47 1 52 23 49 1