@MOLECULE (3as,4as,6r,6as,7ar,8e,11ar)-1,1,3a,6,9-pentamethyl-1,2,4a,5,6,6a,11,11a-octahydrocyclopenta[4',5']cyclonona[1',2':2,3]cyclopenta[1,2-b]oxirene-3,4,10(3ah)-trione 50 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2589 -0.3769 1.7288 O.3 1 UNL111111111111 -0.3568 2 O -0.3179 1.0045 -1.4642 O.2 1 UNL111111111111 -0.4659 3 O 1.3874 3.2079 0.3690 O.2 1 UNL111111111111 -0.4437 4 O 0.9915 -3.7989 -0.0623 O.2 1 UNL111111111111 -0.4254 5 C -2.1852 -0.3990 0.7848 C.3 1 UNL111111111111 0.1507 6 C -3.6074 -0.4907 0.3405 C.3 1 UNL111111111111 0.0064 7 C -1.6418 1.0073 0.5022 C.3 1 UNL111111111111 -0.2296 8 C -4.0347 0.8348 -0.2699 C.3 1 UNL111111111111 -0.1080 9 C -2.7512 1.7091 -0.3203 C.3 1 UNL111111111111 -0.2720 10 C 1.0150 0.8202 0.4647 C.3 1 UNL111111111111 -0.1604 11 C 1.8684 -0.3173 -0.1773 C.3 1 UNL111111111111 -0.1146 12 C -0.3320 0.9409 -0.2589 C.2 1 UNL111111111111 0.4743 13 C 3.3115 0.2764 -0.3543 C.3 1 UNL111111111111 0.1137 14 C -1.1808 -1.4533 0.9103 C.2 1 UNL111111111111 -0.2196 15 C 3.0695 1.7833 -0.5934 C.3 1 UNL111111111111 -0.4172 16 C 1.7840 2.1088 0.1032 C.2 1 UNL111111111111 0.4910 17 C -4.6330 0.6260 -1.6565 C.3 1 UNL111111111111 -0.4526 18 C 1.8847 -1.6739 0.5305 C.3 1 UNL111111111111 -0.3905 19 C 0.9116 0.7810 1.9786 C.3 1 UNL111111111111 -0.4451 20 C -0.5317 -1.9715 -0.1389 C.2 1 UNL111111111111 -0.0457 21 C 4.1941 0.0941 0.8838 C.3 1 UNL111111111111 -0.4678 22 C 3.9943 -0.3615 -1.5658 C.3 1 UNL111111111111 -0.4719 23 C 0.7875 -2.6230 0.0866 C.2 1 UNL111111111111 0.4571 24 C -0.9401 -1.8745 -1.5599 C.3 1 UNL111111111111 -0.4484 25 H -4.1189 -1.4041 0.0634 H 1 UNL111111111111 0.1598 26 H -1.5006 1.5477 1.4691 H 1 UNL111111111111 0.1826 27 H -4.7877 1.3180 0.3974 H 1 UNL111111111111 0.1544 28 H -2.9481 2.7181 0.0747 H 1 UNL111111111111 0.1449 29 H -2.4265 1.8554 -1.3692 H 1 UNL111111111111 0.1714 30 H 1.4727 -0.4790 -1.2173 H 1 UNL111111111111 0.1666 31 H -0.9179 -1.7067 1.9413 H 1 UNL111111111111 0.1747 32 H 2.9743 2.0180 -1.6737 H 1 UNL111111111111 0.1863 33 H 3.9029 2.4126 -0.2363 H 1 UNL111111111111 0.1776 34 H -4.8954 1.5831 -2.1240 H 1 UNL111111111111 0.1526 35 H -3.9307 0.1182 -2.3295 H 1 UNL111111111111 0.1523 36 H -5.5472 0.0225 -1.6145 H 1 UNL111111111111 0.1476 37 H 1.8263 -1.5585 1.6318 H 1 UNL111111111111 0.1787 38 H 2.8624 -2.1771 0.3518 H 1 UNL111111111111 0.1794 39 H 0.5059 1.7247 2.3778 H 1 UNL111111111111 0.1681 40 H 0.2631 -0.0268 2.3374 H 1 UNL111111111111 0.1618 41 H 1.8948 0.6417 2.4488 H 1 UNL111111111111 0.1575 42 H 5.1580 0.6030 0.7596 H 1 UNL111111111111 0.1491 43 H 3.7240 0.5050 1.7838 H 1 UNL111111111111 0.1489 44 H 4.4208 -0.9595 1.0792 H 1 UNL111111111111 0.1501 45 H 4.9860 0.0723 -1.7389 H 1 UNL111111111111 0.1517 46 H 4.1320 -1.4408 -1.4300 H 1 UNL111111111111 0.1530 47 H 3.4139 -0.2229 -2.4859 H 1 UNL111111111111 0.1532 48 H -1.8561 -1.2790 -1.7012 H 1 UNL111111111111 0.1725 49 H -1.1325 -2.8800 -1.9723 H 1 UNL111111111111 0.1748 50 H -0.1726 -1.4064 -2.1977 H 1 UNL111111111111 0.1724 @BOND 1 1 5 1 2 1 6 1 3 2 12 2 4 3 16 2 5 4 23 2 6 5 6 1 7 5 7 1 8 5 14 1 9 6 8 1 10 6 25 1 11 7 9 1 12 7 12 1 13 7 26 1 14 8 9 1 15 8 17 1 16 8 27 1 17 9 28 1 18 9 29 1 19 10 11 1 20 10 12 1 21 10 16 1 22 10 19 1 23 11 13 1 24 11 18 1 25 11 30 1 26 13 15 1 27 13 21 1 28 13 22 1 29 14 20 2 30 14 31 1 31 15 16 1 32 15 32 1 33 15 33 1 34 17 34 1 35 17 35 1 36 17 36 1 37 18 23 1 38 18 37 1 39 18 38 1 40 19 39 1 41 19 40 1 42 19 41 1 43 20 23 1 44 20 24 1 45 21 42 1 46 21 43 1 47 21 44 1 48 22 45 1 49 22 46 1 50 22 47 1 51 24 48 1 52 24 49 1 53 24 50 1