@MOLECULE [(1s,2r,4r,8r,10r,12s,14r)-14-hydroxy-7,11-bis(methylene)-6-oxo-5,13,15-trioxatetracyclo[10.2.1.0~2,10~.0~4,8~]pentadec-2-yl]methyl acetate 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6860 0.4850 -0.6823 O.3 1 UNL1111 -0.3957 2 O 3.3782 -1.4634 0.2411 O.3 1 UNL1111 -0.4774 3 O -2.5359 0.2004 1.3146 O.3 1 UNL1111 -0.4073 4 O 0.0985 2.2347 0.0134 O.3 1 UNL1111 -0.4487 5 O 3.9901 -0.0487 1.9442 O.3 1 UNL1111 -0.5581 6 O -4.4561 0.4191 0.2094 O.2 1 UNL1111 -0.4197 7 O -0.8134 3.2014 -1.7967 O.2 1 UNL1111 -0.5013 8 C 0.5817 -0.0459 0.3421 C.3 1 UNL1111 -0.0041 9 C 0.6175 -1.4646 -0.2955 C.3 1 UNL1111 -0.1336 10 C -0.2025 -0.0976 1.6532 C.3 1 UNL1111 -0.3277 11 C 2.0334 0.4245 0.5896 C.3 1 UNL1111 0.0019 12 C -0.7900 -1.8812 -0.7210 C.3 1 UNL1111 -0.2768 13 C -1.7514 -1.9133 0.4767 C.3 1 UNL1111 -0.1602 14 C -1.5433 -0.8152 1.5611 C.3 1 UNL1111 0.1174 15 C 1.6361 -1.5154 -1.3984 C.2 1 UNL1111 -0.0602 16 C -0.0641 0.9634 -0.6248 C.3 1 UNL1111 -0.0230 17 C 2.9477 -0.8772 -0.9897 C.3 1 UNL1111 0.2949 18 C 2.9092 -0.6456 1.3109 C.3 1 UNL1111 0.3221 19 C -3.1458 -1.6288 -0.0047 C.2 1 UNL1111 -0.1466 20 C -3.5075 -0.2654 0.4635 C.2 1 UNL1111 0.5747 21 C 1.4731 -2.0316 -2.6133 C.2 1 UNL1111 -0.3099 22 C -3.9468 -2.4106 -0.7202 C.2 1 UNL1111 -0.2199 23 C -0.3496 3.3079 -0.6928 C.2 1 UNL1111 0.6347 24 C -0.1624 4.5443 0.1169 C.3 1 UNL1111 -0.5089 25 H 0.9624 -2.1933 0.4920 H 1 UNL1111 0.1656 26 H -0.3922 0.9476 2.0061 H 1 UNL1111 0.1941 27 H 0.4061 -0.5653 2.4521 H 1 UNL1111 0.1511 28 H 2.1078 1.4392 1.0184 H 1 UNL1111 0.1832 29 H -0.7642 -2.8859 -1.1895 H 1 UNL1111 0.1482 30 H -1.1697 -1.2058 -1.5143 H 1 UNL1111 0.1610 31 H -1.6807 -2.9129 0.9650 H 1 UNL1111 0.1570 32 H -1.8222 -1.2252 2.5621 H 1 UNL1111 0.1337 33 H -1.1470 0.7907 -0.7615 H 1 UNL1111 0.1486 34 H 0.4444 0.9856 -1.6069 H 1 UNL1111 0.1560 35 H 3.7855 -0.9158 -1.7017 H 1 UNL1111 0.1556 36 H 2.4519 -1.2983 2.0712 H 1 UNL1111 0.1517 37 H 2.2526 -2.0529 -3.3621 H 1 UNL1111 0.1550 38 H 0.5553 -2.4727 -2.9702 H 1 UNL1111 0.1537 39 H 4.6246 0.3347 1.2989 H 1 UNL1111 0.3422 40 H -3.6791 -3.4042 -1.0515 H 1 UNL1111 0.1521 41 H -4.9415 -2.1057 -1.0312 H 1 UNL1111 0.1696 42 H 0.8726 4.6426 0.4777 H 1 UNL1111 0.1824 43 H -0.8160 4.5376 1.0044 H 1 UNL1111 0.1873 44 H -0.4065 5.4396 -0.4764 H 1 UNL1111 0.1852 @BOND 1 1 11 1 2 1 17 1 3 2 17 1 4 2 18 1 5 3 14 1 6 3 20 1 7 4 16 1 8 4 23 1 9 5 18 1 10 5 39 1 11 6 20 2 12 7 23 2 13 8 9 1 14 8 10 1 15 8 11 1 16 8 16 1 17 9 12 1 18 9 15 1 19 9 25 1 20 10 14 1 21 10 26 1 22 10 27 1 23 11 18 1 24 11 28 1 25 12 13 1 26 12 29 1 27 12 30 1 28 13 14 1 29 13 19 1 30 13 31 1 31 14 32 1 32 15 17 1 33 15 21 2 34 16 33 1 35 16 34 1 36 17 35 1 37 18 36 1 38 19 20 1 39 19 22 2 40 21 37 1 41 21 38 1 42 22 40 1 43 22 41 1 44 23 24 1 45 24 42 1 46 24 43 1 47 24 44 1