@MOLECULE (1s,2r,3r,4s,5s,7r,8r,9s,10s,11s,14r,16s)-2,8,11,16-tetraacetoxy-1,7-dihydroxy-5,9,12,12-tetramethyl-13-oxotetracyclo[7.6.1.0~3,7~.0~10,14~]hexadec-4-yl benzoate 69 73 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1988 0.4788 2.4478 O.3 1 UNL111111 -0.4525 2 O 0.7690 3.0864 0.9993 O.3 1 UNL111111 -0.5774 3 O -2.2153 -2.0349 0.8465 O.3 1 UNL111111 -0.4406 4 O 1.1378 -1.6848 0.8589 O.3 1 UNL111111 -0.5472 5 O 1.8203 1.6956 -1.0530 O.3 1 UNL111111 -0.4339 6 O -3.9936 -0.6879 -1.1613 O.3 1 UNL111111 -0.4671 7 O 2.6140 -1.0262 -1.1929 O.3 1 UNL111111 -0.3776 8 O -3.3508 3.5563 -1.9492 O.2 1 UNL111111 -0.4099 9 O 1.1804 2.2201 3.5159 O.2 1 UNL111111 -0.5086 10 O -1.0931 -3.6801 1.9286 O.2 1 UNL111111 -0.4996 11 O 3.4202 2.2161 0.4778 O.2 1 UNL111111 -0.4948 12 O -5.4891 -1.7970 0.1271 O.2 1 UNL111111 -0.4903 13 O 3.7349 -0.4361 -3.0644 O.2 1 UNL111111 -0.4793 14 C -1.8095 0.2592 1.2721 C.3 1 UNL111111 0.0316 15 C -2.4760 0.7257 -0.0280 C.3 1 UNL111111 -0.1876 16 C 0.0583 1.9697 0.5289 C.3 1 UNL111111 0.2294 17 C -0.0062 -1.3525 0.0959 C.3 1 UNL111111 0.2599 18 C -0.7030 1.2898 1.6976 C.3 1 UNL111111 0.0636 19 C -1.1403 -1.1316 1.1309 C.3 1 UNL111111 0.0458 20 C -2.3325 2.2531 -0.1743 C.3 1 UNL111111 -0.2184 21 C 0.4332 -0.1786 -0.8089 C.3 1 UNL111111 -0.2167 22 C 1.0920 0.9718 -0.0621 C.3 1 UNL111111 0.0919 23 C -0.8945 2.6017 -0.5116 C.3 1 UNL111111 -0.2878 24 C -3.9721 0.4353 -0.2665 C.3 1 UNL111111 0.1594 25 C -4.5360 1.6290 -1.0831 C.3 1 UNL111111 -0.3686 26 C 1.3540 -0.8550 -1.8455 C.3 1 UNL111111 0.1608 27 C -0.2742 -2.4844 -0.9262 C.3 1 UNL111111 -0.3197 28 C 0.7451 -2.2617 -2.0694 C.3 1 UNL111111 -0.3982 29 C -3.3806 2.6277 -1.1979 C.2 1 UNL111111 0.4732 30 C -2.8096 0.1786 2.4333 C.3 1 UNL111111 -0.4601 31 C -5.6978 2.3096 -0.3644 C.3 1 UNL111111 -0.4238 32 C -4.9885 1.1372 -2.3982 C.3 1 UNL111111 0.2006 33 C 1.7770 -3.2922 -2.0908 C.3 1 UNL111111 0.1734 34 C 1.0891 1.0235 3.3126 C.2 1 UNL111111 0.3360 35 C -2.1084 -3.2802 1.3893 C.2 1 UNL111111 0.3151 36 C 2.9257 2.3684 -0.6205 C.2 1 UNL111111 0.3450 37 C -4.7811 -1.7498 -0.8598 C.2 1 UNL111111 0.3338 38 C 3.7295 -0.7082 -1.8911 C.2 1 UNL111111 0.6255 39 C 1.9074 0.0006 3.9521 C.3 1 UNL111111 0.3688 40 C -3.3266 -4.0581 1.2334 C.3 1 UNL111111 0.3334 41 C 3.4590 3.2432 -1.6538 C.3 1 UNL111111 0.3220 42 C -4.6383 -2.8223 -1.8365 C.3 1 UNL111111 0.3264 43 C 4.8820 -0.7244 -0.9840 C.ar 1 UNL111111 -0.2312 44 C 6.1861 -0.5316 -1.4251 C.ar 1 UNL111111 0.1668 45 C 4.8457 -0.8934 0.3978 C.ar 1 UNL111111 0.1321 46 C 7.2177 -0.5285 -0.5428 C.ar 1 UNL111111 -0.1217 47 C 5.8189 -0.8959 1.2778 C.ar 1 UNL111111 -0.0752 48 C 7.0514 -0.6999 0.7406 C.ar 1 UNL111111 0.0936 49 H -1.9455 0.2306 -0.8935 H 1 UNL111111 0.1770 50 H -1.1231 2.0751 2.3690 H 1 UNL111111 0.1671 51 H -0.7238 -1.4131 2.1436 H 1 UNL111111 0.1822 52 H -2.6286 2.7720 0.7780 H 1 UNL111111 0.1808 53 H -0.4579 0.1973 -1.3807 H 1 UNL111111 0.1691 54 H 1.7973 0.5959 0.7188 H 1 UNL111111 0.1825 55 H -0.6209 2.3040 -1.5416 H 1 UNL111111 0.1670 56 H -0.7485 3.7090 -0.5043 H 1 UNL111111 0.1964 57 H -4.5607 0.2202 0.6455 H 1 UNL111111 0.1669 58 H 1.4694 -0.2660 -2.7770 H 1 UNL111111 0.1603 59 H -1.3090 -2.4399 -1.3067 H 1 UNL111111 0.1499 60 H -0.1437 -3.4773 -0.4627 H 1 UNL111111 0.1605 61 H 0.2194 -2.2882 -3.0578 H 1 UNL111111 0.1843 62 H -3.5430 -0.6260 2.2863 H 1 UNL111111 0.1605 63 H -3.3683 1.1132 2.5594 H 1 UNL111111 0.1556 64 H -2.3026 -0.0307 3.3848 H 1 UNL111111 0.1638 65 H 1.1399 2.9509 1.8997 H 1 UNL111111 0.3579 66 H 0.9998 -2.5488 1.3129 H 1 UNL111111 0.3322 67 H -6.5522 1.6277 -0.2581 H 1 UNL111111 0.1601 68 H -5.4150 2.6442 0.6427 H 1 UNL111111 0.1574 69 H -6.0492 3.1936 -0.9172 H 1 UNL111111 0.1686 @BOND 1 42 37 1 2 32 25 1 3 37 12 2 4 37 6 1 5 67 31 1 6 6 24 1 7 69 31 1 8 25 31 1 9 25 24 1 10 25 29 1 11 31 68 1 12 61 28 1 13 24 57 1 14 24 15 1 15 8 29 2 16 59 27 1 17 40 35 1 18 29 20 1 19 49 15 1 20 28 27 1 21 28 33 1 22 28 26 1 23 27 60 1 24 27 17 1 25 15 20 1 26 15 14 1 27 3 35 1 28 3 19 1 29 53 21 1 30 58 26 1 31 35 10 2 32 20 52 1 33 20 23 1 34 55 23 1 35 26 21 1 36 26 7 1 37 62 30 1 38 21 17 1 39 21 22 1 40 17 19 1 41 17 4 1 42 23 56 1 43 23 16 1 44 19 14 1 45 19 51 1 46 14 30 1 47 14 18 1 48 13 38 2 49 30 63 1 50 30 64 1 51 7 38 1 52 38 43 1 53 5 22 1 54 5 36 1 55 66 4 1 56 22 16 1 57 22 54 1 58 16 18 1 59 16 2 1 60 18 50 1 61 18 1 1 62 41 36 1 63 36 11 2 64 1 34 1 65 2 65 1 66 43 44 ar 67 43 45 ar 68 44 46 ar 69 45 47 ar 70 34 9 2 71 34 39 1 72 46 48 ar 73 47 48 ar