@MOLECULE (1r,2s,5r,8s,9s,12r,13r)-8,12-dihydroxy-2,2',2',6,9,13-hexamethyl-16-methylene-6'h,11h-spiro[10,14-dioxatetracyclo[7.6.1.0~1,12~.0~2,7~]hexadec-6-ene-5,3'-pyran]-6',11,15-trione 62 66 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3307 -1.3628 1.8180 O.3 1 UNL111111 -0.4284 2 O -3.2127 2.3227 -0.6631 O.3 1 UNL111111 -0.3966 3 O -0.7657 1.3136 1.3233 O.3 1 UNL111111 -0.5126 4 O -0.3429 -3.2393 -0.4497 O.3 1 UNL111111 -0.5336 5 O 4.6167 -0.3790 0.1868 O.3 1 UNL111111 -0.4631 6 O -2.9137 1.3093 -2.6038 O.2 1 UNL111111 -0.4451 7 O -3.1411 0.3426 2.9244 O.2 1 UNL111111 -0.4015 8 O 5.6104 0.2765 2.0458 O.2 1 UNL111111 -0.3841 9 C -0.5874 -0.0251 -1.1523 C.3 1 UNL111111 0.1186 10 C -2.0058 0.2635 -0.5667 C.3 1 UNL111111 -0.1622 11 C -2.0161 0.8983 0.8564 C.3 1 UNL111111 0.1229 12 C 0.1638 -0.9187 -0.2012 C.2 1 UNL111111 -0.1992 13 C 0.1370 1.3112 -1.3938 C.3 1 UNL111111 -0.3121 14 C -2.1357 -1.9409 0.5136 C.3 1 UNL111111 0.2466 15 C -2.7500 -1.0377 -0.5159 C.2 1 UNL111111 -0.0935 16 C 2.3008 0.3903 -0.4337 C.3 1 UNL111111 -0.0248 17 C -0.5906 -2.1040 0.3491 C.3 1 UNL111111 0.1009 18 C 1.6236 1.0818 -1.6311 C.3 1 UNL111111 -0.2734 19 C 1.4663 -0.7548 0.1061 C.2 1 UNL111111 0.0720 20 C -2.8775 2.1900 0.7247 C.3 1 UNL111111 0.1282 21 C -2.7261 1.2991 -1.4186 C.2 1 UNL111111 0.5889 22 C -0.7151 -0.7578 -2.5032 C.3 1 UNL111111 -0.4677 23 C 3.7428 -0.0483 -0.9071 C.3 1 UNL111111 0.3159 24 C -2.5766 -0.0354 1.9365 C.2 1 UNL111111 0.5381 25 C -2.7917 -3.3072 0.6588 C.3 1 UNL111111 -0.4566 26 C 2.4330 1.3960 0.7091 C.2 1 UNL111111 -0.1389 27 C -3.7985 -1.3505 -1.2729 C.2 1 UNL111111 -0.2536 28 C 2.1177 -1.6858 1.0763 C.3 1 UNL111111 -0.4934 29 C -2.1474 3.4532 1.1301 C.3 1 UNL111111 -0.4519 30 C 3.7185 -1.3405 -1.7212 C.3 1 UNL111111 -0.4820 31 C 4.4707 1.0562 -1.6825 C.3 1 UNL111111 -0.5070 32 C 3.5546 1.3086 1.3675 C.2 1 UNL111111 -0.1260 33 C 4.6921 0.4468 1.2971 C.2 1 UNL111111 0.5872 34 H -0.0122 2.0102 -0.5463 H 1 UNL111111 0.1716 35 H -0.3074 1.8294 -2.2700 H 1 UNL111111 0.1611 36 H -0.1997 -2.4297 1.3519 H 1 UNL111111 0.1711 37 H 1.7674 0.4717 -2.5453 H 1 UNL111111 0.1523 38 H 2.1117 2.0569 -1.8372 H 1 UNL111111 0.1535 39 H -3.8601 2.0844 1.2407 H 1 UNL111111 0.1645 40 H -1.2995 -1.6811 -2.4293 H 1 UNL111111 0.1484 41 H -1.2224 -0.1310 -3.2522 H 1 UNL111111 0.1804 42 H 0.2704 -1.0131 -2.9063 H 1 UNL111111 0.1515 43 H -3.8613 -3.2204 0.8879 H 1 UNL111111 0.1638 44 H -2.6649 -3.9117 -0.2484 H 1 UNL111111 0.1696 45 H -2.3357 -3.8746 1.4847 H 1 UNL111111 0.1729 46 H 1.6167 2.0858 0.8947 H 1 UNL111111 0.1941 47 H 1.8951 -2.7427 0.8442 H 1 UNL111111 0.1831 48 H 1.7787 -1.4956 2.1066 H 1 UNL111111 0.1699 49 H 3.2153 -1.6317 1.1047 H 1 UNL111111 0.1895 50 H -4.3170 -2.2993 -1.2244 H 1 UNL111111 0.1619 51 H -4.2264 -0.6912 -2.0210 H 1 UNL111111 0.1724 52 H -0.1637 0.5427 1.4802 H 1 UNL111111 0.3358 53 H -2.7818 4.3383 0.9893 H 1 UNL111111 0.1615 54 H -1.8473 3.4101 2.1886 H 1 UNL111111 0.1771 55 H -1.2340 3.6088 0.5406 H 1 UNL111111 0.1636 56 H -0.3828 -3.0134 -1.4045 H 1 UNL111111 0.3199 57 H 3.2339 -2.1654 -1.1841 H 1 UNL111111 0.1715 58 H 3.1955 -1.2110 -2.6738 H 1 UNL111111 0.1557 59 H 4.7427 -1.6746 -1.9420 H 1 UNL111111 0.1743 60 H 4.1121 1.1510 -2.7119 H 1 UNL111111 0.1599 61 H 4.3872 2.0344 -1.1972 H 1 UNL111111 0.1601 62 H 5.5452 0.8218 -1.7440 H 1 UNL111111 0.1770 @BOND 1 50 27 1 2 51 27 1 3 43 25 1 4 27 15 2 5 44 25 1 6 25 45 1 7 25 14 1 8 15 14 1 9 15 10 1 10 6 21 2 11 40 22 1 12 14 1 1 13 14 17 1 14 21 2 1 15 21 10 1 16 39 20 1 17 41 22 1 18 1 24 1 19 2 20 1 20 56 4 1 21 10 11 1 22 10 9 1 23 4 17 1 24 7 24 2 25 22 42 1 26 22 9 1 27 24 11 1 28 20 11 1 29 20 29 1 30 17 36 1 31 17 12 1 32 11 3 1 33 9 12 1 34 9 13 1 35 53 29 1 36 12 19 2 37 35 13 1 38 29 54 1 39 29 55 1 40 13 34 1 41 13 18 1 42 3 52 1 43 47 28 1 44 37 18 1 45 19 28 1 46 19 16 1 47 18 16 1 48 18 38 1 49 28 48 1 50 28 49 1 51 58 30 1 52 57 30 1 53 16 26 1 54 16 23 1 55 30 59 1 56 30 23 1 57 46 26 1 58 26 32 2 59 23 31 1 60 23 5 1 61 60 31 1 62 31 61 1 63 31 62 1 64 5 33 1 65 32 33 1 66 33 8 2