@MOLECULE (1r)-1-[(1r,3r,6r,8r,9s)-8-acetoxy-4-methyl-7-oxatricyclo[4.3.0.0~3,9~]non-4-en-9-yl]-4-methyl-2-oxo-3-penten-1-yl acetate 49 51 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7113 -0.0034 -2.0126 O.3 1 UNL1111111111 -0.4075 2 O 0.4992 0.0199 -1.5622 O.3 1 UNL1111111111 -0.4344 3 O 0.8017 -2.0047 0.1327 O.3 1 UNL1111111111 -0.3784 4 O 2.4814 -0.0547 0.5715 O.2 1 UNL1111111111 -0.4680 5 O 0.9429 2.1086 -2.2814 O.2 1 UNL1111111111 -0.5260 6 O 1.6930 -2.9459 1.9764 O.2 1 UNL1111111111 -0.5195 7 C -0.9750 -0.4865 0.2018 C.3 1 UNL1111111111 -0.0783 8 C -1.9491 -1.6252 -0.3035 C.3 1 UNL1111111111 -0.1369 9 C -2.1444 -0.1175 1.2117 C.3 1 UNL1111111111 -0.1297 10 C -2.6460 -1.6059 1.0762 C.3 1 UNL1111111111 -0.2888 11 C -2.7242 -0.7824 -1.3584 C.3 1 UNL1111111111 0.1128 12 C -0.7600 0.4020 -1.0340 C.3 1 UNL1111111111 0.3094 13 C 0.2904 -0.9272 0.9120 C.3 1 UNL1111111111 0.0026 14 C -3.2138 0.6900 0.5280 C.2 1 UNL1111111111 0.0400 15 C -3.5881 0.2709 -0.6931 C.2 1 UNL1111111111 -0.2549 16 C -3.8142 1.8231 1.2687 C.3 1 UNL1111111111 -0.4547 17 C 1.3600 0.1750 0.9576 C.2 1 UNL1111111111 0.4765 18 C 0.9196 1.4566 1.5000 C.2 1 UNL1111111111 -0.4536 19 C 1.2556 0.9489 -2.2042 C.2 1 UNL1111111111 0.6469 20 C 1.5860 -2.9106 0.7780 C.2 1 UNL1111111111 0.6300 21 C 1.6017 2.6082 1.3398 C.2 1 UNL1111111111 0.2582 22 C 2.4986 0.2941 -2.6960 C.3 1 UNL1111111111 -0.5107 23 C 2.2042 -3.8203 -0.2267 C.3 1 UNL1111111111 -0.5080 24 C 1.0695 3.8897 1.8876 C.3 1 UNL1111111111 -0.4832 25 C 2.8823 2.7085 0.5967 C.3 1 UNL1111111111 -0.4898 26 H -1.5277 -2.5550 -0.6707 H 1 UNL1111111111 0.1613 27 H -1.8418 0.2285 2.1990 H 1 UNL1111111111 0.1483 28 H -2.2095 -2.2926 1.8065 H 1 UNL1111111111 0.1499 29 H -3.7268 -1.7497 1.0803 H 1 UNL1111111111 0.1512 30 H -3.2090 -1.3610 -2.1564 H 1 UNL1111111111 0.1475 31 H -0.8414 1.4955 -0.8978 H 1 UNL1111111111 0.1566 32 H 0.0830 -1.2833 1.9530 H 1 UNL1111111111 0.1724 33 H -4.3819 0.6991 -1.2821 H 1 UNL1111111111 0.1583 34 H -4.2070 1.5086 2.2467 H 1 UNL1111111111 0.1572 35 H -4.6458 2.2909 0.7228 H 1 UNL1111111111 0.1572 36 H -3.0696 2.6132 1.4548 H 1 UNL1111111111 0.1636 37 H -0.0187 1.4401 2.0489 H 1 UNL1111111111 0.1692 38 H 3.1073 -0.0627 -1.8416 H 1 UNL1111111111 0.2049 39 H 3.1071 0.9888 -3.2911 H 1 UNL1111111111 0.1795 40 H 2.2738 -0.5919 -3.3098 H 1 UNL1111111111 0.1866 41 H 1.7638 -3.7041 -1.2297 H 1 UNL1111111111 0.1859 42 H 2.1015 -4.8716 0.0795 H 1 UNL1111111111 0.1799 43 H 3.2823 -3.6027 -0.3153 H 1 UNL1111111111 0.1890 44 H 1.8057 4.3875 2.5353 H 1 UNL1111111111 0.1629 45 H 0.8338 4.5913 1.0703 H 1 UNL1111111111 0.1739 46 H 0.1530 3.7631 2.4787 H 1 UNL1111111111 0.1590 47 H 2.7285 2.5004 -0.4788 H 1 UNL1111111111 0.1888 48 H 3.3607 3.6914 0.6689 H 1 UNL1111111111 0.1519 49 H 3.6127 1.9535 0.9417 H 1 UNL1111111111 0.1908 @BOND 1 1 11 1 2 1 12 1 3 2 12 1 4 2 19 1 5 3 13 1 6 3 20 1 7 4 17 2 8 5 19 2 9 6 20 2 10 7 8 1 11 7 9 1 12 7 12 1 13 7 13 1 14 8 10 1 15 8 11 1 16 8 26 1 17 9 10 1 18 9 14 1 19 9 27 1 20 10 28 1 21 10 29 1 22 11 15 1 23 11 30 1 24 12 31 1 25 13 17 1 26 13 32 1 27 14 15 2 28 14 16 1 29 15 33 1 30 16 34 1 31 16 35 1 32 16 36 1 33 17 18 1 34 18 21 2 35 18 37 1 36 19 22 1 37 20 23 1 38 21 24 1 39 21 25 1 40 22 38 1 41 22 39 1 42 22 40 1 43 23 41 1 44 23 42 1 45 23 43 1 46 24 44 1 47 24 45 1 48 24 46 1 49 25 47 1 50 25 48 1 51 25 49 1