@MOLECULE (3s,3ar,5z,6as,10as)-3-isopropyl-6,9,10a-trimethyl-2,3,3a,4,6a,7,10,10a-octahydrodicyclopenta[a,d][8]annulene-1,8-dione 50 52 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.4735 3.0209 0.7831 O.2 1 UNL1111111111 -0.4564 2 O 5.0241 0.4184 -1.0828 O.2 1 UNL1111111111 -0.4495 3 C -0.7838 0.7734 0.1620 C.3 1 UNL1111111111 -0.0254 4 C -1.4970 -0.5142 0.6639 C.3 1 UNL1111111111 -0.1307 5 C -3.0288 -0.2200 0.5466 C.3 1 UNL1111111111 -0.1201 6 C -3.1129 1.2720 0.9295 C.3 1 UNL1111111111 -0.4074 7 C 0.5851 0.9837 0.8301 C.3 1 UNL1111111111 -0.3073 8 C -1.7574 1.8640 0.6456 C.2 1 UNL1111111111 0.4646 9 C -1.0360 -1.8341 0.0386 C.3 1 UNL1111111111 -0.2772 10 C -3.6258 -0.6031 -0.8302 C.3 1 UNL1111111111 -0.0718 11 C -0.7080 0.9535 -1.3527 C.3 1 UNL1111111111 -0.4491 12 C 1.7571 0.4194 0.1181 C.2 1 UNL1111111111 0.0618 13 C 1.7832 -0.9988 -0.4297 C.3 1 UNL1111111111 -0.1339 14 C 0.1299 -2.3643 0.8133 C.2 1 UNL1111111111 -0.2158 15 C 1.4029 -1.9834 0.6354 C.2 1 UNL1111111111 0.0272 16 C 3.2032 -1.1669 -1.0222 C.3 1 UNL1111111111 -0.4044 17 C 2.9280 1.0577 -0.0836 C.2 1 UNL1111111111 -0.1772 18 C -4.3575 -1.9522 -0.7187 C.3 1 UNL1111111111 -0.4587 19 C -4.6074 0.4237 -1.4061 C.3 1 UNL1111111111 -0.4552 20 C 3.8932 0.1640 -0.7700 C.2 1 UNL1111111111 0.4784 21 C 2.4831 -2.5017 1.5250 C.3 1 UNL1111111111 -0.4563 22 C 3.3075 2.4333 0.2841 C.3 1 UNL1111111111 -0.4223 23 H -1.2881 -0.5909 1.7660 H 1 UNL1111111111 0.1445 24 H -3.5617 -0.8141 1.3246 H 1 UNL1111111111 0.1397 25 H -3.3554 1.3918 2.0036 H 1 UNL1111111111 0.1717 26 H -3.9085 1.8295 0.4085 H 1 UNL1111111111 0.1813 27 H 0.5690 0.5664 1.8636 H 1 UNL1111111111 0.1652 28 H 0.7374 2.0843 0.9731 H 1 UNL1111111111 0.1829 29 H -0.7983 -1.7123 -1.0356 H 1 UNL1111111111 0.1491 30 H -1.8660 -2.5718 0.0605 H 1 UNL1111111111 0.1476 31 H -2.7884 -0.7181 -1.5621 H 1 UNL1111111111 0.1392 32 H -0.1424 1.8633 -1.6048 H 1 UNL1111111111 0.1670 33 H -0.2086 0.1157 -1.8502 H 1 UNL1111111111 0.1517 34 H -1.7021 1.0528 -1.8063 H 1 UNL1111111111 0.1530 35 H 1.0485 -1.0724 -1.2760 H 1 UNL1111111111 0.1644 36 H -0.1370 -3.0805 1.5880 H 1 UNL1111111111 0.1464 37 H 3.1743 -1.3890 -2.1025 H 1 UNL1111111111 0.1714 38 H 3.7720 -1.9961 -0.5724 H 1 UNL1111111111 0.1788 39 H -5.2397 -1.8767 -0.0740 H 1 UNL1111111111 0.1454 40 H -4.7000 -2.2967 -1.7005 H 1 UNL1111111111 0.1440 41 H -3.7135 -2.7362 -0.3066 H 1 UNL1111111111 0.1416 42 H -5.4369 0.6225 -0.7190 H 1 UNL1111111111 0.1464 43 H -5.0467 0.0589 -2.3426 H 1 UNL1111111111 0.1461 44 H -4.1160 1.3753 -1.6376 H 1 UNL1111111111 0.1450 45 H 3.2159 -1.7190 1.7728 H 1 UNL1111111111 0.1635 46 H 3.0296 -3.3306 1.0515 H 1 UNL1111111111 0.1595 47 H 2.0936 -2.8833 2.4787 H 1 UNL1111111111 0.1539 48 H 2.5928 3.1764 -0.1028 H 1 UNL1111111111 0.1595 49 H 4.3005 2.7022 -0.1161 H 1 UNL1111111111 0.1715 50 H 3.3584 2.5653 1.3757 H 1 UNL1111111111 0.1563 @BOND 1 1 8 2 2 2 20 2 3 3 4 1 4 3 7 1 5 3 8 1 6 3 11 1 7 4 5 1 8 4 9 1 9 4 23 1 10 5 6 1 11 5 10 1 12 5 24 1 13 6 8 1 14 6 25 1 15 6 26 1 16 7 12 1 17 7 27 1 18 7 28 1 19 9 14 1 20 9 29 1 21 9 30 1 22 10 18 1 23 10 19 1 24 10 31 1 25 11 32 1 26 11 33 1 27 11 34 1 28 12 13 1 29 12 17 2 30 13 15 1 31 13 16 1 32 13 35 1 33 14 15 2 34 14 36 1 35 15 21 1 36 16 20 1 37 16 37 1 38 16 38 1 39 17 20 1 40 17 22 1 41 18 39 1 42 18 40 1 43 18 41 1 44 19 42 1 45 19 43 1 46 19 44 1 47 21 45 1 48 21 46 1 49 21 47 1 50 22 48 1 51 22 49 1 52 22 50 1