@MOLECULE methyl [(1s,3s,5s,7s,8s,9r,11s,12s,13r,16s)-5,11-diacetoxy-13-(3-furyl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylene-15-oxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl]acetate 82 86 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3988 0.3770 0.8316 O.3 1 UNL1111111111 -0.4211 2 O 4.0400 -0.0489 -1.1756 O.3 1 UNL1111111111 -0.4464 3 O 0.5505 -2.4252 -1.9291 O.3 1 UNL1111111111 -0.4559 4 O -1.5322 3.3617 0.6129 O.3 1 UNL1111111111 -0.4533 5 O 3.6854 0.4737 2.4041 O.3 1 UNL1111111111 -0.4994 6 O 4.9246 1.4625 0.1672 O.2 1 UNL1111111111 -0.4215 7 O -4.8519 -1.5227 0.2999 O.3 1 UNL1111111111 -0.4136 8 O -3.1616 -2.8931 -0.2393 O.2 1 UNL1111111111 -0.5208 9 O 1.0800 2.8321 -1.8817 O.2 1 UNL1111111111 -0.1795 10 O -1.4304 -1.4471 -2.3769 O.2 1 UNL1111111111 -0.5043 11 O -1.7155 3.4208 -1.6346 O.2 1 UNL1111111111 -0.5257 12 C -0.5400 -0.5344 2.0732 C.3 1 UNL1111111111 0.0330 13 C 0.1808 -1.9046 1.7876 C.3 1 UNL1111111111 -0.1291 14 C 2.2201 -0.7781 0.9418 C.3 1 UNL1111111111 0.1919 15 C 0.5287 0.5911 1.9379 C.3 1 UNL1111111111 0.1004 16 C -1.7837 -0.3577 1.1595 C.3 1 UNL1111111111 -0.1317 17 C 2.1489 -1.4348 -0.4693 C.3 1 UNL1111111111 -0.0397 18 C -2.3108 1.1015 0.9972 C.3 1 UNL1111111111 0.0585 19 C 1.6615 -1.7087 1.9883 C.2 1 UNL1111111111 -0.0241 20 C 0.0134 -2.5338 0.3943 C.3 1 UNL1111111111 -0.3476 21 C 0.6449 -1.6826 -0.7101 C.3 1 UNL1111111111 0.1354 22 C -0.0153 1.9926 1.6954 C.3 1 UNL1111111111 -0.3423 23 C -1.1008 1.9909 0.6224 C.3 1 UNL1111111111 0.1290 24 C -0.9221 -0.5339 3.5690 C.3 1 UNL1111111111 -0.4716 25 C 3.6533 -0.2928 1.2332 C.3 1 UNL1111111111 -0.0035 26 C 2.7236 -0.4673 -1.5347 C.3 1 UNL1111111111 0.1598 27 C -2.9087 -1.3225 1.6014 C.3 1 UNL1111111111 -0.3565 28 C 2.9560 -2.7303 -0.5168 C.3 1 UNL1111111111 -0.4598 29 C -3.2879 1.1362 -0.1891 C.3 1 UNL1111111111 -0.4822 30 C -3.0238 1.6647 2.2289 C.3 1 UNL1111111111 -0.4525 31 C 2.3532 -2.2942 2.9624 C.2 1 UNL1111111111 -0.3310 32 C 4.2349 0.4875 0.0665 C.2 1 UNL1111111111 0.5590 33 C 1.9031 0.7319 -1.8242 C.ar 1 UNL1111111111 -0.1547 34 C -3.5868 -1.9971 0.4445 C.2 1 UNL1111111111 0.6137 35 C -0.5853 -2.2553 -2.6591 C.2 1 UNL1111111111 0.6418 36 C 0.8585 0.7933 -2.8226 C.ar 1 UNL1111111111 -0.2538 37 C 1.9956 1.9902 -1.2901 C.ar 1 UNL1111111111 0.0035 38 C -1.7641 3.9761 -0.5676 C.2 1 UNL1111111111 0.6444 39 C 0.3906 2.0765 -2.8106 C.ar 1 UNL1111111111 0.0251 40 C -0.5722 -3.1904 -3.8188 C.3 1 UNL1111111111 -0.5132 41 C -2.0861 5.4126 -0.3207 C.3 1 UNL1111111111 -0.5155 42 C -5.5908 -2.0442 -0.8002 C.3 1 UNL1111111111 -0.1715 43 H -0.2165 -2.6495 2.5218 H 1 UNL1111111111 0.1456 44 H 1.1683 0.5977 2.8591 H 1 UNL1111111111 0.1371 45 H -1.4698 -0.6483 0.1155 H 1 UNL1111111111 0.1798 46 H 0.4696 -3.5445 0.3921 H 1 UNL1111111111 0.1579 47 H -1.0541 -2.7222 0.1584 H 1 UNL1111111111 0.1869 48 H 0.1097 -0.7040 -0.8310 H 1 UNL1111111111 0.1771 49 H 0.8086 2.6694 1.3835 H 1 UNL1111111111 0.1665 50 H -0.4082 2.4213 2.6382 H 1 UNL1111111111 0.1631 51 H -0.6901 1.7118 -0.3773 H 1 UNL1111111111 0.1665 52 H -1.3514 0.4294 3.8700 H 1 UNL1111111111 0.1541 53 H -1.6562 -1.3036 3.8221 H 1 UNL1111111111 0.1468 54 H -0.0457 -0.7161 4.2036 H 1 UNL1111111111 0.1493 55 H 4.3321 -1.1528 1.4671 H 1 UNL1111111111 0.1796 56 H 2.9418 -1.0303 -2.4823 H 1 UNL1111111111 0.1680 57 H -2.4985 -2.1321 2.2457 H 1 UNL1111111111 0.1739 58 H -3.6499 -0.7851 2.2306 H 1 UNL1111111111 0.1816 59 H 4.0359 -2.5385 -0.5482 H 1 UNL1111111111 0.1568 60 H 2.7559 -3.3756 0.3464 H 1 UNL1111111111 0.1551 61 H 2.7060 -3.3148 -1.4142 H 1 UNL1111111111 0.1674 62 H -2.8455 0.7066 -1.0996 H 1 UNL1111111111 0.1696 63 H -4.2101 0.5864 0.0230 H 1 UNL1111111111 0.1603 64 H -3.5829 2.1610 -0.4374 H 1 UNL1111111111 0.1522 65 H -3.2732 2.7240 2.0784 H 1 UNL1111111111 0.1563 66 H -3.9666 1.1443 2.4284 H 1 UNL1111111111 0.1425 67 H -2.4081 1.6055 3.1313 H 1 UNL1111111111 0.1417 68 H 1.9127 -2.9591 3.6889 H 1 UNL1111111111 0.1470 69 H 3.4099 -2.1491 3.1328 H 1 UNL1111111111 0.1596 70 H 3.2815 1.3601 2.2444 H 1 UNL1111111111 0.3264 71 H 0.5346 -0.0232 -3.4294 H 1 UNL1111111111 0.1690 72 H 2.6062 2.4682 -0.5602 H 1 UNL1111111111 0.1761 73 H -0.3722 2.6233 -3.3204 H 1 UNL1111111111 0.1880 74 H -1.3118 -3.9934 -3.6641 H 1 UNL1111111111 0.1850 75 H -0.8489 -2.6662 -4.7464 H 1 UNL1111111111 0.1832 76 H 0.4069 -3.6678 -3.9709 H 1 UNL1111111111 0.1806 77 H -2.1851 5.6486 0.7491 H 1 UNL1111111111 0.1803 78 H -3.0261 5.6905 -0.8209 H 1 UNL1111111111 0.1821 79 H -1.2923 6.0565 -0.7330 H 1 UNL1111111111 0.1871 80 H -5.0736 -1.8159 -1.7397 H 1 UNL1111111111 0.1469 81 H -5.7207 -3.1254 -0.6904 H 1 UNL1111111111 0.1369 82 H -6.5472 -1.5150 -0.7304 H 1 UNL1111111111 0.1427 @BOND 1 1 14 1 2 1 15 1 3 2 26 1 4 2 32 1 5 3 21 1 6 3 35 1 7 4 23 1 8 4 38 1 9 5 25 1 10 5 70 1 11 6 32 2 12 7 34 1 13 7 42 1 14 8 34 2 15 9 37 ar 16 9 39 ar 17 10 35 2 18 11 38 2 19 12 13 1 20 12 15 1 21 12 16 1 22 12 24 1 23 13 19 1 24 13 20 1 25 13 43 1 26 14 17 1 27 14 19 1 28 14 25 1 29 15 22 1 30 15 44 1 31 16 18 1 32 16 27 1 33 16 45 1 34 17 21 1 35 17 26 1 36 17 28 1 37 18 23 1 38 18 29 1 39 18 30 1 40 19 31 2 41 20 21 1 42 20 46 1 43 20 47 1 44 21 48 1 45 22 23 1 46 22 49 1 47 22 50 1 48 23 51 1 49 24 52 1 50 24 53 1 51 24 54 1 52 25 32 1 53 25 55 1 54 26 33 1 55 26 56 1 56 27 34 1 57 27 57 1 58 27 58 1 59 28 59 1 60 28 60 1 61 28 61 1 62 29 62 1 63 29 63 1 64 29 64 1 65 30 65 1 66 30 66 1 67 30 67 1 68 31 68 1 69 31 69 1 70 33 36 ar 71 33 37 ar 72 35 40 1 73 36 39 ar 74 36 71 1 75 37 72 1 76 38 41 1 77 39 73 1 78 40 74 1 79 40 75 1 80 40 76 1 81 41 77 1 82 41 78 1 83 41 79 1 84 42 80 1 85 42 81 1 86 42 82 1