@MOLECULE (1'r,2r,4's,5s,6r,8'r,10'e,13'r,14'e,16'z,20'r,21'r,24's)-6-ethyl-21',24'-dihydroxy-5,11',13',22'-tetramethyl-3,4,5,6-tetrahydro-2'h,18'h-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraene]-2',18'-dione 84 88 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.5593 -1.6202 0.4657 O.3 1 UNL1111111111 -0.4687 2 O -3.4461 -0.0728 -1.2471 O.3 1 UNL1111111111 -0.4722 3 O 0.4673 -0.8585 -0.3421 O.3 1 UNL1111111111 -0.4728 4 O 5.4076 0.3202 0.0837 O.3 1 UNL1111111111 -0.4308 5 O 2.9664 -1.0859 2.0352 O.3 1 UNL1111111111 -0.5336 6 O 5.0728 -1.5685 -1.7535 O.3 1 UNL1111111111 -0.5401 7 O 0.5937 -2.7378 0.8838 O.2 1 UNL1111111111 -0.4800 8 O 4.6464 2.2795 -0.6238 O.2 1 UNL1111111111 -0.4364 9 C -3.2061 -1.4148 -0.8765 C.3 1 UNL1111111111 0.4710 10 C -1.7073 -1.7654 -0.9153 C.3 1 UNL1111111111 -0.3934 11 C -4.0615 -2.2458 -1.8409 C.3 1 UNL1111111111 -0.3353 12 C -0.9381 -0.7380 -0.0862 C.3 1 UNL1111111111 0.1745 13 C -5.8141 -2.3326 -0.0296 C.3 1 UNL1111111111 -0.1430 14 C -4.9245 -1.3815 0.7969 C.3 1 UNL1111111111 0.1256 15 C -5.5459 -2.0600 -1.5202 C.3 1 UNL1111111111 -0.2661 16 C -2.7717 0.8882 -0.4455 C.3 1 UNL1111111111 0.1463 17 C -1.2590 0.6776 -0.5674 C.3 1 UNL1111111111 -0.3708 18 C 3.3573 -0.7818 0.7212 C.3 1 UNL1111111111 0.2910 19 C 2.5920 -1.7888 -0.1660 C.3 1 UNL1111111111 -0.2101 20 C 4.9114 -0.9236 0.5797 C.3 1 UNL1111111111 -0.0080 21 C -4.9574 -1.6611 2.3063 C.3 1 UNL1111111111 -0.2844 22 C -3.2128 2.2463 -1.0181 C.3 1 UNL1111111111 -0.3014 23 C -7.2936 -2.1108 0.2836 C.3 1 UNL1111111111 -0.4540 24 C 5.3672 -1.9967 -0.4357 C.3 1 UNL1111111111 0.1155 25 C 1.1383 -1.8896 0.2336 C.2 1 UNL1111111111 0.6223 26 C 3.1207 0.6676 0.3904 C.2 1 UNL1111111111 -0.3244 27 C 3.2333 -3.1414 -0.1004 C.2 1 UNL1111111111 -0.1447 28 C 4.5603 -3.2519 -0.2312 C.2 1 UNL1111111111 -0.0181 29 C -4.2143 -0.5657 3.0696 C.3 1 UNL1111111111 -0.4304 30 C 4.3776 1.2279 -0.1174 C.2 1 UNL1111111111 0.6098 31 C -2.5555 3.3306 -0.2327 C.2 1 UNL1111111111 -0.2243 32 C 1.9805 1.3402 0.6079 C.2 1 UNL1111111111 0.0572 33 C 5.3046 -4.5343 -0.1980 C.3 1 UNL1111111111 -0.4440 34 C -1.6212 4.1647 -0.7096 C.2 1 UNL1111111111 0.0353 35 C -0.9679 5.1702 0.1951 C.3 1 UNL1111111111 -0.3064 36 C 0.5424 4.8873 0.3526 C.3 1 UNL1111111111 -0.0968 37 C 1.7763 2.7300 0.2494 C.2 1 UNL1111111111 -0.2584 38 C 0.7747 3.4628 0.7589 C.2 1 UNL1111111111 -0.0608 39 C -1.1576 4.1598 -2.1269 C.3 1 UNL1111111111 -0.4546 40 C 1.1450 5.8086 1.4206 C.3 1 UNL1111111111 -0.4503 41 H -1.3480 -1.7725 -1.9602 H 1 UNL1111111111 0.1702 42 H -1.5457 -2.7848 -0.5093 H 1 UNL1111111111 0.1829 43 H -3.7768 -3.3111 -1.7532 H 1 UNL1111111111 0.1561 44 H -3.8517 -1.9417 -2.8840 H 1 UNL1111111111 0.1588 45 H -1.1145 -0.8773 1.0037 H 1 UNL1111111111 0.1461 46 H -5.5328 -3.3853 0.2073 H 1 UNL1111111111 0.1478 47 H -5.1637 -0.3205 0.5689 H 1 UNL1111111111 0.1270 48 H -6.1596 -2.7308 -2.1478 H 1 UNL1111111111 0.1362 49 H -5.8566 -1.0280 -1.7786 H 1 UNL1111111111 0.1504 50 H -3.1109 0.7690 0.6088 H 1 UNL1111111111 0.1302 51 H -0.9317 0.8070 -1.6179 H 1 UNL1111111111 0.1723 52 H -0.7118 1.4409 0.0118 H 1 UNL1111111111 0.1599 53 H 2.6526 -1.4150 -1.2342 H 1 UNL1111111111 0.2169 54 H 5.3881 -1.0747 1.5695 H 1 UNL1111111111 0.1585 55 H -6.0018 -1.7362 2.6562 H 1 UNL1111111111 0.1388 56 H -4.4871 -2.6454 2.5061 H 1 UNL1111111111 0.1564 57 H -4.3180 2.3305 -0.9646 H 1 UNL1111111111 0.1570 58 H -2.9773 2.2895 -2.0993 H 1 UNL1111111111 0.1603 59 H -7.5848 -1.0639 0.1414 H 1 UNL1111111111 0.1464 60 H -7.5342 -2.3846 1.3168 H 1 UNL1111111111 0.1440 61 H -7.9311 -2.7201 -0.3677 H 1 UNL1111111111 0.1469 62 H 6.4656 -2.1594 -0.3674 H 1 UNL1111111111 0.1348 63 H 2.5742 -3.9913 0.0627 H 1 UNL1111111111 0.1735 64 H -3.1705 -0.4987 2.7328 H 1 UNL1111111111 0.1556 65 H -4.2000 -0.7715 4.1453 H 1 UNL1111111111 0.1398 66 H -4.6767 0.4157 2.9228 H 1 UNL1111111111 0.1362 67 H -2.8804 3.3845 0.8058 H 1 UNL1111111111 0.1455 68 H 3.2685 -0.4017 2.6693 H 1 UNL1111111111 0.3219 69 H 1.1278 0.8223 1.0776 H 1 UNL1111111111 0.1749 70 H 5.8728 -4.6856 -1.1303 H 1 UNL1111111111 0.1634 71 H 6.0228 -4.5662 0.6343 H 1 UNL1111111111 0.1547 72 H 4.6423 -5.4042 -0.0826 H 1 UNL1111111111 0.1574 73 H 5.4654 -0.6782 -1.9059 H 1 UNL1111111111 0.3290 74 H -1.1116 6.1922 -0.2108 H 1 UNL1111111111 0.1513 75 H -1.4520 5.1867 1.1914 H 1 UNL1111111111 0.1469 76 H 1.0449 5.0953 -0.6269 H 1 UNL1111111111 0.1523 77 H 2.4821 3.1543 -0.4747 H 1 UNL1111111111 0.1898 78 H 0.0758 3.0715 1.4990 H 1 UNL1111111111 0.1489 79 H -0.5167 5.0165 -2.3703 H 1 UNL1111111111 0.1514 80 H -2.0033 4.1865 -2.8297 H 1 UNL1111111111 0.1583 81 H -0.5787 3.2491 -2.3494 H 1 UNL1111111111 0.1657 82 H 0.6947 5.6418 2.4050 H 1 UNL1111111111 0.1465 83 H 0.9993 6.8637 1.1644 H 1 UNL1111111111 0.1484 84 H 2.2254 5.6417 1.5205 H 1 UNL1111111111 0.1567 @BOND 1 1 9 1 2 1 14 1 3 2 9 1 4 2 16 1 5 3 12 1 6 3 25 1 7 4 20 1 8 4 30 1 9 5 18 1 10 5 68 1 11 6 24 1 12 6 73 1 13 7 25 2 14 8 30 2 15 9 10 1 16 9 11 1 17 10 12 1 18 10 41 1 19 10 42 1 20 11 15 1 21 11 43 1 22 11 44 1 23 12 17 1 24 12 45 1 25 13 14 1 26 13 15 1 27 13 23 1 28 13 46 1 29 14 21 1 30 14 47 1 31 15 48 1 32 15 49 1 33 16 17 1 34 16 22 1 35 16 50 1 36 17 51 1 37 17 52 1 38 18 19 1 39 18 20 1 40 18 26 1 41 19 25 1 42 19 27 1 43 19 53 1 44 20 24 1 45 20 54 1 46 21 29 1 47 21 55 1 48 21 56 1 49 22 31 1 50 22 57 1 51 22 58 1 52 23 59 1 53 23 60 1 54 23 61 1 55 24 28 1 56 24 62 1 57 26 30 1 58 26 32 2 59 27 28 2 60 27 63 1 61 28 33 1 62 29 64 1 63 29 65 1 64 29 66 1 65 31 34 2 66 31 67 1 67 32 37 1 68 32 69 1 69 33 70 1 70 33 71 1 71 33 72 1 72 34 35 1 73 34 39 1 74 35 36 1 75 35 74 1 76 35 75 1 77 36 38 1 78 36 40 1 79 36 76 1 80 37 38 2 81 37 77 1 82 38 78 1 83 39 79 1 84 39 80 1 85 39 81 1 86 40 82 1 87 40 83 1 88 40 84 1