@MOLECULE (3e,5e,7r,8s,9s,11e,13e,15s,16r)-16-[(2s,3r,4s,6e,8s,9r)-3,9-dihydroxy-4,8,10-trimethyl-5-oxo-6-undecen-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one 99 99 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6195 -0.9883 -1.4412 O.3 1 UNL11 -0.4222 2 O 0.9984 -2.3762 1.6656 O.3 1 UNL11 -0.5752 3 O -2.1743 -4.0166 -0.4507 O.3 1 UNL11 -0.3838 4 O -2.9246 2.6308 1.4107 O.3 1 UNL11 -0.5926 5 O 3.5866 -1.6936 2.1411 O.2 1 UNL11 -0.4825 6 O 6.6663 2.1675 1.9444 O.3 1 UNL11 -0.5559 7 O -0.9798 0.5912 0.1236 O.2 1 UNL11 -0.4999 8 O 0.6722 0.8457 -2.9729 O.2 1 UNL11 -0.3024 9 C 0.3442 -2.9481 -0.4978 C.3 1 UNL11 -0.1509 10 C 1.4257 -2.2208 0.3292 C.3 1 UNL11 0.1559 11 C -0.9064 -2.0533 -0.5169 C.3 1 UNL11 0.1011 12 C 2.8609 -2.7774 0.1584 C.3 1 UNL11 -0.2607 13 C -2.1520 -2.7623 -1.1199 C.3 1 UNL11 0.0682 14 C 0.7985 -3.2948 -1.9131 C.3 1 UNL11 -0.4470 15 C -5.0876 1.9459 1.9651 C.3 1 UNL11 -0.1005 16 C -4.0088 1.8904 0.8606 C.3 1 UNL11 0.1369 17 C 2.9892 -4.1963 0.7039 C.3 1 UNL11 -0.4251 18 C -4.3218 2.5167 -0.5255 C.3 1 UNL11 -0.1325 19 C 3.7810 -1.8671 0.9560 C.2 1 UNL11 0.4799 20 C -6.0366 0.7223 1.9191 C.3 1 UNL11 -0.3165 21 C -3.3660 -1.9446 -0.8180 C.2 1 UNL11 -0.2543 22 C 6.6381 0.5600 0.1308 C.3 1 UNL11 -0.1943 23 C 6.5661 2.0538 0.5357 C.3 1 UNL11 0.1290 24 C -5.8811 3.2503 1.9594 C.3 1 UNL11 -0.4501 25 C -5.2255 -0.5313 1.7724 C.2 1 UNL11 0.0811 26 C 4.8569 -1.1799 0.2311 C.2 1 UNL11 -0.3830 27 C 5.2034 2.7070 0.2079 C.3 1 UNL11 -0.0896 28 C -3.1589 2.1491 -1.3985 C.2 1 UNL11 -0.1831 29 C 5.5629 -0.2103 0.8291 C.2 1 UNL11 0.0210 30 C -5.6095 1.9792 -1.1524 C.3 1 UNL11 -0.4484 31 C -4.1250 -2.1297 0.2692 C.2 1 UNL11 -0.0830 32 C -5.1716 -1.1692 0.5903 C.2 1 UNL11 -0.2774 33 C -0.6784 0.2877 -1.0032 C.2 1 UNL11 0.5835 34 C 7.9967 -0.0416 0.5054 C.3 1 UNL11 -0.4444 35 C -2.0626 2.9000 -1.5773 C.2 1 UNL11 0.0023 36 C -4.3909 -0.9205 2.9436 C.3 1 UNL11 -0.4621 37 C -3.0373 -4.9597 -1.0571 C.3 1 UNL11 -0.1978 38 C 4.9036 2.6258 -1.2903 C.3 1 UNL11 -0.4588 39 C 5.2256 4.1680 0.6662 C.3 1 UNL11 -0.4472 40 C -0.3115 1.2267 -2.0982 C.2 1 UNL11 0.0660 41 C -0.9237 2.3958 -2.3425 C.2 1 UNL11 -0.1631 42 C -1.8868 4.2803 -1.0403 C.3 1 UNL11 -0.4502 43 C 1.8910 0.4692 -2.3379 C.3 1 UNL11 -0.2138 44 H 0.0741 -3.8933 0.0500 H 1 UNL11 0.1866 45 H 1.4235 -1.1253 0.1091 H 1 UNL11 0.1197 46 H -1.1280 -1.6564 0.5037 H 1 UNL11 0.1842 47 H 3.1336 -2.7645 -0.9210 H 1 UNL11 0.1560 48 H -2.0207 -2.9200 -2.2140 H 1 UNL11 0.1339 49 H 1.0738 -2.4010 -2.4861 H 1 UNL11 0.1543 50 H -0.0077 -3.7908 -2.4686 H 1 UNL11 0.1500 51 H 1.6484 -3.9848 -1.9141 H 1 UNL11 0.1414 52 H -4.5184 1.8972 2.9357 H 1 UNL11 0.1597 53 H -3.6563 0.8406 0.7136 H 1 UNL11 0.1380 54 H 2.6677 -4.2467 1.7565 H 1 UNL11 0.1723 55 H 2.3536 -4.8967 0.1484 H 1 UNL11 0.1522 56 H 4.0195 -4.5626 0.6526 H 1 UNL11 0.1392 57 H -4.4050 3.6223 -0.4006 H 1 UNL11 0.1560 58 H -6.7625 0.8354 1.0923 H 1 UNL11 0.1474 59 H -6.6479 0.6979 2.8417 H 1 UNL11 0.1481 60 H -3.5495 -1.1371 -1.5233 H 1 UNL11 0.1523 61 H 1.7185 -2.1094 2.2851 H 1 UNL11 0.3501 62 H 6.5177 0.4976 -0.9801 H 1 UNL11 0.1555 63 H 7.4040 2.6208 0.0765 H 1 UNL11 0.1147 64 H -6.5170 3.3507 1.0749 H 1 UNL11 0.1405 65 H -6.5249 3.3295 2.8415 H 1 UNL11 0.1382 66 H -5.1958 4.1097 1.9720 H 1 UNL11 0.1582 67 H 5.0351 -1.4887 -0.7935 H 1 UNL11 0.1631 68 H 4.4072 2.1668 0.7800 H 1 UNL11 0.1570 69 H -3.2392 1.1644 -1.8614 H 1 UNL11 0.1488 70 H 5.3811 0.0774 1.8746 H 1 UNL11 0.1834 71 H -5.7259 2.3493 -2.1779 H 1 UNL11 0.1454 72 H -6.4956 2.2924 -0.5904 H 1 UNL11 0.1445 73 H -5.6116 0.8836 -1.1941 H 1 UNL11 0.1481 74 H -3.9432 -2.9410 0.9761 H 1 UNL11 0.1614 75 H -5.8392 -0.9064 -0.2287 H 1 UNL11 0.1540 76 H 8.0873 -1.0699 0.1310 H 1 UNL11 0.1563 77 H 8.8239 0.5347 0.0755 H 1 UNL11 0.1485 78 H 8.1427 -0.0878 1.5918 H 1 UNL11 0.1517 79 H -2.0776 2.2568 1.0774 H 1 UNL11 0.3423 80 H -3.3486 -0.5772 2.8160 H 1 UNL11 0.1794 81 H -4.3485 -2.0110 3.0758 H 1 UNL11 0.1590 82 H -4.7546 -0.4909 3.8855 H 1 UNL11 0.1527 83 H -4.0644 -4.5835 -1.1079 H 1 UNL11 0.1300 84 H -2.6753 -5.2334 -2.0517 H 1 UNL11 0.1170 85 H -2.9778 -5.8185 -0.3770 H 1 UNL11 0.1441 86 H 3.9951 3.1919 -1.5340 H 1 UNL11 0.1547 87 H 4.7428 1.5943 -1.6201 H 1 UNL11 0.1408 88 H 5.7156 3.0501 -1.8901 H 1 UNL11 0.1418 89 H 5.4852 4.2373 1.7329 H 1 UNL11 0.1658 90 H 4.2463 4.6407 0.5372 H 1 UNL11 0.1452 91 H 5.9595 4.7604 0.1124 H 1 UNL11 0.1381 92 H -0.5655 3.0445 -3.1477 H 1 UNL11 0.1742 93 H 7.5212 1.8203 2.2632 H 1 UNL11 0.3132 94 H -2.4426 5.0125 -1.6421 H 1 UNL11 0.1539 95 H -0.8366 4.5971 -1.0164 H 1 UNL11 0.1505 96 H -2.2629 4.3611 -0.0037 H 1 UNL11 0.1859 97 H 2.2328 1.2396 -1.6394 H 1 UNL11 0.1370 98 H 1.7740 -0.5002 -1.8390 H 1 UNL11 0.1429 99 H 2.5821 0.3821 -3.1843 H 1 UNL11 0.1443 @BOND 1 1 11 1 2 1 33 1 3 2 10 1 4 2 61 1 5 3 13 1 6 3 37 1 7 4 16 1 8 4 79 1 9 5 19 2 10 6 23 1 11 6 93 1 12 7 33 2 13 8 40 1 14 8 43 1 15 9 10 1 16 9 11 1 17 9 14 1 18 9 44 1 19 10 12 1 20 10 45 1 21 11 13 1 22 11 46 1 23 12 17 1 24 12 19 1 25 12 47 1 26 13 21 1 27 13 48 1 28 14 49 1 29 14 50 1 30 14 51 1 31 15 16 1 32 15 20 1 33 15 24 1 34 15 52 1 35 16 18 1 36 16 53 1 37 17 54 1 38 17 55 1 39 17 56 1 40 18 28 1 41 18 30 1 42 18 57 1 43 19 26 1 44 20 25 1 45 20 58 1 46 20 59 1 47 21 31 2 48 21 60 1 49 22 23 1 50 22 29 1 51 22 34 1 52 22 62 1 53 23 27 1 54 23 63 1 55 24 64 1 56 24 65 1 57 24 66 1 58 25 32 2 59 25 36 1 60 26 29 2 61 26 67 1 62 27 38 1 63 27 39 1 64 27 68 1 65 28 35 2 66 28 69 1 67 29 70 1 68 30 71 1 69 30 72 1 70 30 73 1 71 31 32 1 72 31 74 1 73 32 75 1 74 33 40 1 75 34 76 1 76 34 77 1 77 34 78 1 78 35 41 1 79 35 42 1 80 36 80 1 81 36 81 1 82 36 82 1 83 37 83 1 84 37 84 1 85 37 85 1 86 38 86 1 87 38 87 1 88 38 88 1 89 39 89 1 90 39 90 1 91 39 91 1 92 40 41 2 93 41 92 1 94 42 94 1 95 42 95 1 96 42 96 1 97 43 97 1 98 43 98 1 99 43 99 1