@MOLECULE (2r,4's,5s,6r,8'r,10'e,13's,14'e,16'e,20'r,21'r,24's)-6-ethyl-12',21',24'-trihydroxy-11'-(hydroxymethyl)-5,13',22'-trimethyl-3,4,5,6-tetrahydro-2'h-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one 87 91 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4740 2.3115 0.6639 O.3 1 UNL11 -0.4788 2 O 2.8643 0.8510 -1.0150 O.3 1 UNL11 -0.4703 3 O -0.5872 1.6383 1.1819 O.3 1 UNL11 -0.4557 4 O -4.7087 0.0780 -1.1727 O.3 1 UNL11 -0.4009 5 O -3.9995 0.1531 2.2787 O.3 1 UNL11 -0.5440 6 O -6.6413 1.8693 -1.1041 O.3 1 UNL11 -0.5286 7 O -1.3790 1.4310 -0.9228 O.2 1 UNL11 -0.5011 8 O 1.6621 -6.0496 0.0434 O.3 1 UNL11 -0.5619 9 O 0.9010 -5.1741 -2.3735 O.3 1 UNL11 -0.5513 10 C 2.7380 2.1667 -0.5226 C.3 1 UNL11 0.4741 11 C 1.2906 2.4936 -0.1153 C.3 1 UNL11 -0.4021 12 C 3.2660 3.0629 -1.6503 C.3 1 UNL11 -0.3345 13 C 0.7728 1.4056 0.8219 C.3 1 UNL11 0.1768 14 C 5.4788 3.0856 -0.4400 C.3 1 UNL11 -0.1448 15 C -3.7291 0.5286 0.9469 C.3 1 UNL11 0.2551 16 C 4.8767 2.0721 0.5555 C.3 1 UNL11 0.1292 17 C 4.7785 2.8951 -1.7966 C.3 1 UNL11 -0.2655 18 C 2.4332 -0.1666 -0.1214 C.3 1 UNL11 0.1500 19 C 0.9466 0.0248 0.1971 C.3 1 UNL11 -0.3921 20 C -5.0489 0.5499 0.1265 C.3 1 UNL11 -0.0042 21 C -2.8964 1.8305 0.9527 C.3 1 UNL11 -0.2358 22 C -5.7247 1.9187 -0.0361 C.3 1 UNL11 0.1061 23 C -3.0134 -0.6460 0.3117 C.2 1 UNL11 -0.1017 24 C 5.3651 2.2580 1.9986 C.3 1 UNL11 -0.2871 25 C 2.6876 -1.4679 -0.9015 C.3 1 UNL11 -0.3147 26 C -1.5670 1.5956 0.2520 C.2 1 UNL11 0.6265 27 C -3.5116 3.0102 0.2773 C.2 1 UNL11 -0.2250 28 C 6.9839 2.8742 -0.6027 C.3 1 UNL11 -0.4531 29 C -4.7544 3.0524 -0.2091 C.2 1 UNL11 0.0091 30 C -3.5492 -0.7613 -1.0795 C.3 1 UNL11 -0.0419 31 C -2.1532 -1.4469 0.9475 C.2 1 UNL11 -0.1253 32 C 5.0027 1.0434 2.8509 C.3 1 UNL11 -0.4305 33 C 2.2580 -2.6331 -0.0806 C.2 1 UNL11 -0.1447 34 C -5.2974 4.2405 -0.9197 C.3 1 UNL11 -0.4400 35 C 1.6177 -3.7097 -0.5510 C.2 1 UNL11 -0.1427 36 C -1.5862 -2.6487 0.3564 C.2 1 UNL11 -0.1865 37 C 1.1781 -4.7828 0.4122 C.3 1 UNL11 0.1541 38 C -0.3740 -4.8230 0.5231 C.3 1 UNL11 -0.1491 39 C -0.8794 -3.5283 1.0804 C.2 1 UNL11 -0.1245 40 C 1.3202 -3.8691 -2.0116 C.3 1 UNL11 -0.0002 41 C -0.7803 -5.9725 1.4499 C.3 1 UNL11 -0.4409 42 H 0.6619 2.5535 -1.0281 H 1 UNL11 0.1899 43 H 1.2458 3.4847 0.3728 H 1 UNL11 0.1679 44 H 3.0144 4.1164 -1.4262 H 1 UNL11 0.1548 45 H 2.7557 2.8056 -2.5981 H 1 UNL11 0.1623 46 H 1.2489 1.4747 1.8321 H 1 UNL11 0.1522 47 H 5.2814 4.1168 -0.0653 H 1 UNL11 0.1462 48 H 5.0310 1.0310 0.1990 H 1 UNL11 0.1292 49 H 5.0050 1.8886 -2.2016 H 1 UNL11 0.1508 50 H 5.1719 3.6167 -2.5355 H 1 UNL11 0.1375 51 H 3.0567 -0.1144 0.8008 H 1 UNL11 0.1272 52 H 0.3487 -0.0587 -0.7352 H 1 UNL11 0.1886 53 H 0.5704 -0.7697 0.8662 H 1 UNL11 0.1650 54 H -5.7697 -0.1895 0.5510 H 1 UNL11 0.1556 55 H -2.6938 2.0941 2.0333 H 1 UNL11 0.1988 56 H -6.3927 2.1262 0.8402 H 1 UNL11 0.1513 57 H 4.9037 3.1732 2.4232 H 1 UNL11 0.1545 58 H 6.4567 2.4265 2.0137 H 1 UNL11 0.1414 59 H 3.7680 -1.5453 -1.1548 H 1 UNL11 0.1679 60 H 2.1705 -1.4066 -1.8802 H 1 UNL11 0.1645 61 H -2.8408 3.8661 0.1820 H 1 UNL11 0.1638 62 H 7.3962 3.5450 -1.3658 H 1 UNL11 0.1477 63 H 7.5253 3.0746 0.3279 H 1 UNL11 0.1439 64 H 7.2172 1.8472 -0.9064 H 1 UNL11 0.1476 65 H -2.8463 -0.3686 -1.8435 H 1 UNL11 0.1690 66 H -3.8892 -1.7770 -1.3461 H 1 UNL11 0.1436 67 H -4.5856 0.8033 2.7173 H 1 UNL11 0.3194 68 H -1.8745 -1.2314 1.9860 H 1 UNL11 0.1717 69 H 3.9274 0.8313 2.7921 H 1 UNL11 0.1512 70 H 5.5408 0.1467 2.5255 H 1 UNL11 0.1393 71 H 5.2439 1.2128 3.9064 H 1 UNL11 0.1408 72 H 2.4986 -2.5462 0.9819 H 1 UNL11 0.1522 73 H -5.4548 4.0123 -1.9876 H 1 UNL11 0.1700 74 H -4.6384 5.1151 -0.8662 H 1 UNL11 0.1508 75 H -6.2807 4.5373 -0.5234 H 1 UNL11 0.1642 76 H -6.1937 1.5296 -1.9151 H 1 UNL11 0.3347 77 H -1.7925 -2.8139 -0.7009 H 1 UNL11 0.1502 78 H 1.6300 -4.6492 1.4255 H 1 UNL11 0.1448 79 H -0.8060 -5.0144 -0.4879 H 1 UNL11 0.1310 80 H -0.6549 -3.3601 2.1333 H 1 UNL11 0.1499 81 H 2.2376 -3.7441 -2.6285 H 1 UNL11 0.1575 82 H 0.5552 -3.1414 -2.3503 H 1 UNL11 0.1337 83 H -1.8688 -6.0510 1.5375 H 1 UNL11 0.1460 84 H -0.3996 -6.9312 1.0692 H 1 UNL11 0.1645 85 H -0.3694 -5.8484 2.4577 H 1 UNL11 0.1481 86 H 1.6058 -6.1637 -0.9342 H 1 UNL11 0.3420 87 H -0.0276 -5.3312 -2.0953 H 1 UNL11 0.3159 @BOND 1 1 16 1 2 2 10 1 3 2 18 1 4 3 13 1 5 3 26 1 6 4 20 1 7 4 30 1 8 5 15 1 9 5 67 1 10 6 22 1 11 6 76 1 12 7 26 2 13 8 37 1 14 8 86 1 15 9 40 1 16 9 87 1 17 10 1 1 18 10 11 1 19 10 12 1 20 11 13 1 21 11 42 1 22 11 43 1 23 12 17 1 24 12 44 1 25 12 45 1 26 13 19 1 27 13 46 1 28 14 16 1 29 14 17 1 30 14 28 1 31 14 47 1 32 15 20 1 33 15 23 1 34 16 24 1 35 16 48 1 36 17 49 1 37 17 50 1 38 18 19 1 39 18 25 1 40 18 51 1 41 19 52 1 42 19 53 1 43 20 22 1 44 20 54 1 45 21 15 1 46 21 26 1 47 21 27 1 48 21 55 1 49 22 29 1 50 22 56 1 51 23 30 1 52 23 31 2 53 24 32 1 54 24 57 1 55 24 58 1 56 25 33 1 57 25 59 1 58 25 60 1 59 27 29 2 60 27 61 1 61 28 62 1 62 28 63 1 63 28 64 1 64 29 34 1 65 30 65 1 66 30 66 1 67 31 36 1 68 31 68 1 69 32 69 1 70 32 70 1 71 32 71 1 72 33 35 2 73 33 72 1 74 34 73 1 75 34 74 1 76 34 75 1 77 35 37 1 78 35 40 1 79 36 39 2 80 36 77 1 81 37 38 1 82 37 78 1 83 38 39 1 84 38 41 1 85 38 79 1 86 39 80 1 87 40 81 1 88 40 82 1 89 41 83 1 90 41 84 1 91 41 85 1