@MOLECULE (1'r,2s,3r,4's,5s,6s,8'r,10'e,13'r,14'e,16'e,20'r,21'r,24's)-6-[(2e)-2-buten-2-yl]-3,21',24'-trihydroxy-5,11',13',22'-tetramethyl-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 90 94 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6253 0.6583 -0.1283 O.3 1 UNL11 -0.4881 2 O 2.9856 -1.5616 0.4016 O.3 1 UNL11 -0.4533 3 O -1.1485 -0.8349 -0.2125 O.3 1 UNL11 -0.4691 4 O -5.4981 0.6157 1.3384 O.3 1 UNL11 -0.4230 5 O 2.3661 1.3938 2.4538 O.3 1 UNL11 -0.5574 6 O -4.2365 -0.1496 -1.8150 O.3 1 UNL11 -0.5349 7 O -5.2122 -1.9090 2.0648 O.3 1 UNL11 -0.5460 8 O -1.6748 -2.2652 -1.8662 O.2 1 UNL11 -0.4893 9 C 2.3564 -0.3687 0.7899 C.3 1 UNL11 0.4041 10 C 0.8736 -0.7148 0.8958 C.3 1 UNL11 -0.3712 11 C 2.9514 0.1591 2.1268 C.3 1 UNL11 0.1037 12 C 0.2550 -0.8858 -0.4957 C.3 1 UNL11 0.1768 13 C 5.0654 -1.0518 1.5489 C.3 1 UNL11 -0.1244 14 C 4.4701 0.2907 1.9989 C.3 1 UNL11 -0.3337 15 C -4.1103 -0.2689 -0.4212 C.3 1 UNL11 0.2744 16 C 4.3982 -1.4689 0.2176 C.3 1 UNL11 0.1003 17 C 2.1211 0.4593 -1.4461 C.3 1 UNL11 0.1625 18 C 0.6020 0.2960 -1.4011 C.3 1 UNL11 -0.3887 19 C -5.5141 -0.3065 0.2532 C.3 1 UNL11 -0.0075 20 C -3.3340 -1.5846 -0.1921 C.3 1 UNL11 -0.2175 21 C -5.9001 -1.6859 0.8449 C.3 1 UNL11 0.1101 22 C -3.4569 0.9408 0.1989 C.2 1 UNL11 -0.1633 23 C 2.5966 1.7112 -2.2069 C.3 1 UNL11 -0.2977 24 C -2.0070 -1.6226 -0.9089 C.2 1 UNL11 0.6248 25 C -4.2078 -2.7374 -0.5784 C.2 1 UNL11 -0.1432 26 C 6.5780 -0.9257 1.3761 C.3 1 UNL11 -0.4541 27 C -5.4497 -2.7887 -0.0805 C.2 1 UNL11 -0.0203 28 C -4.2401 1.2988 1.4121 C.3 1 UNL11 -0.0332 29 C 4.7995 -2.8562 -0.2195 C.2 1 UNL11 -0.0103 30 C -2.4052 1.5612 -0.3388 C.2 1 UNL11 -0.0933 31 C 1.7371 2.9070 -1.9636 C.2 1 UNL11 -0.2133 32 C -6.4258 -3.8692 -0.3632 C.3 1 UNL11 -0.4415 33 C 4.0056 -3.9659 0.3731 C.3 1 UNL11 -0.4324 34 C 5.7922 -3.0155 -1.1046 C.2 1 UNL11 -0.1909 35 C 1.9192 3.8190 -0.9990 C.2 1 UNL11 0.0391 36 C -1.6864 2.6734 0.2618 C.2 1 UNL11 -0.2057 37 C 0.9853 4.9912 -0.8692 C.3 1 UNL11 -0.3098 38 C -0.1925 4.6678 0.0771 C.3 1 UNL11 -0.0853 39 C -1.0344 3.5675 -0.4933 C.2 1 UNL11 -0.1155 40 C 6.2673 -4.3395 -1.5918 C.3 1 UNL11 -0.4339 41 C 3.0324 3.7906 -0.0085 C.3 1 UNL11 -0.4642 42 C -1.0648 5.9153 0.2728 C.3 1 UNL11 -0.4454 43 H 0.3481 0.0980 1.4461 H 1 UNL11 0.1890 44 H 0.7323 -1.6331 1.4973 H 1 UNL11 0.1717 45 H 2.6578 -0.4983 2.9747 H 1 UNL11 0.1517 46 H 0.5159 -1.8621 -0.9590 H 1 UNL11 0.1503 47 H 4.8439 -1.8305 2.3173 H 1 UNL11 0.1472 48 H 4.9054 0.6103 2.9634 H 1 UNL11 0.1546 49 H 4.7222 1.0913 1.2775 H 1 UNL11 0.1558 50 H 2.6089 -0.4565 -1.8561 H 1 UNL11 0.1298 51 H 4.5928 -0.7096 -0.5737 H 1 UNL11 0.1367 52 H 0.1387 1.2216 -0.9976 H 1 UNL11 0.1801 53 H 0.1882 0.1518 -2.4146 H 1 UNL11 0.1646 54 H -6.2979 0.0544 -0.4447 H 1 UNL11 0.1487 55 H -3.1231 -1.6564 0.9218 H 1 UNL11 0.2159 56 H -6.9875 -1.7219 1.0741 H 1 UNL11 0.1309 57 H 2.6268 1.4791 -3.2918 H 1 UNL11 0.1505 58 H 3.6511 1.9175 -1.9214 H 1 UNL11 0.1591 59 H -3.7915 -3.4741 -1.2595 H 1 UNL11 0.1751 60 H 7.0614 -0.6287 2.3137 H 1 UNL11 0.1474 61 H 7.0232 -1.8806 1.0681 H 1 UNL11 0.1528 62 H 6.8416 -0.1801 0.6180 H 1 UNL11 0.1466 63 H -3.7593 0.9755 2.3540 H 1 UNL11 0.1429 64 H -4.5057 2.3698 1.4746 H 1 UNL11 0.1484 65 H 2.3369 1.9801 1.6616 H 1 UNL11 0.3348 66 H -4.5421 0.7472 -2.0679 H 1 UNL11 0.3206 67 H -2.0015 1.1989 -1.2963 H 1 UNL11 0.1716 68 H 0.9042 2.9993 -2.6607 H 1 UNL11 0.1437 69 H -7.3530 -3.4755 -0.8041 H 1 UNL11 0.1533 70 H -6.7009 -4.4007 0.5622 H 1 UNL11 0.1625 71 H -6.0314 -4.6211 -1.0613 H 1 UNL11 0.1571 72 H 3.0224 -4.0350 -0.1246 H 1 UNL11 0.1712 73 H 4.4938 -4.9425 0.2805 H 1 UNL11 0.1443 74 H 3.7995 -3.7960 1.4400 H 1 UNL11 0.1572 75 H -5.2273 -1.0815 2.5977 H 1 UNL11 0.3275 76 H 6.3184 -2.1595 -1.5230 H 1 UNL11 0.1427 77 H -1.6683 2.7092 1.3508 H 1 UNL11 0.1604 78 H 1.5309 5.8773 -0.4880 H 1 UNL11 0.1493 79 H 0.5984 5.2993 -1.8604 H 1 UNL11 0.1475 80 H 0.2257 4.3573 1.0680 H 1 UNL11 0.1484 81 H -1.0807 3.5384 -1.5821 H 1 UNL11 0.1473 82 H 6.6899 -4.9404 -0.7733 H 1 UNL11 0.1518 83 H 5.4462 -4.9239 -2.0335 H 1 UNL11 0.1562 84 H 7.0456 -4.2459 -2.3595 H 1 UNL11 0.1441 85 H 3.4649 2.7838 0.1080 H 1 UNL11 0.1705 86 H 2.7067 4.1243 0.9868 H 1 UNL11 0.1531 87 H 3.8509 4.4555 -0.3210 H 1 UNL11 0.1577 88 H -0.4924 6.7372 0.7150 H 1 UNL11 0.1439 89 H -1.4776 6.2716 -0.6772 H 1 UNL11 0.1457 90 H -1.9097 5.7045 0.9389 H 1 UNL11 0.1498 @BOND 1 1 9 1 2 1 17 1 3 2 9 1 4 2 16 1 5 3 12 1 6 3 24 1 7 4 19 1 8 4 28 1 9 5 11 1 10 5 65 1 11 6 15 1 12 6 66 1 13 7 21 1 14 7 75 1 15 8 24 2 16 9 10 1 17 9 11 1 18 10 12 1 19 10 43 1 20 10 44 1 21 11 14 1 22 11 45 1 23 12 18 1 24 12 46 1 25 13 14 1 26 13 16 1 27 13 26 1 28 13 47 1 29 14 48 1 30 14 49 1 31 15 19 1 32 15 22 1 33 16 29 1 34 16 51 1 35 17 18 1 36 17 23 1 37 17 50 1 38 18 52 1 39 18 53 1 40 19 21 1 41 19 54 1 42 20 15 1 43 20 24 1 44 20 25 1 45 20 55 1 46 21 27 1 47 21 56 1 48 22 28 1 49 22 30 2 50 23 31 1 51 23 57 1 52 23 58 1 53 25 27 2 54 25 59 1 55 26 60 1 56 26 61 1 57 26 62 1 58 27 32 1 59 28 63 1 60 28 64 1 61 29 33 1 62 29 34 2 63 30 36 1 64 30 67 1 65 31 35 2 66 31 68 1 67 32 69 1 68 32 70 1 69 32 71 1 70 33 72 1 71 33 73 1 72 33 74 1 73 34 40 1 74 34 76 1 75 35 37 1 76 35 41 1 77 36 39 2 78 36 77 1 79 37 38 1 80 37 78 1 81 37 79 1 82 38 39 1 83 38 42 1 84 38 80 1 85 39 81 1 86 40 82 1 87 40 83 1 88 40 84 1 89 41 85 1 90 41 86 1 91 41 87 1 92 42 88 1 93 42 89 1 94 42 90 1