@MOLECULE (1s,5s,6r,7s,8r,9s)-9-acetoxy-8-methyl-4-methylene-3-oxo-7-(3-oxo-1-propen-2-yl)-8-vinyl-2-oxabicyclo[3.3.1]non-6-yl 2-hydroxy-2-methylbutanoate 58 59 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4710 1.5363 -0.6912 O.3 1 UNL1111111111 -0.4041 2 O 0.9878 -1.0785 0.3596 O.3 1 UNL1111111111 -0.4473 3 O 0.0131 2.7390 -0.7647 O.3 1 UNL1111111111 -0.4260 4 O -3.4460 2.5481 0.9578 O.2 1 UNL1111111111 -0.4357 5 O 2.2050 -0.5860 2.1869 O.2 1 UNL1111111111 -0.5019 6 O -3.7125 -2.4427 1.2501 O.2 1 UNL1111111111 -0.4188 7 O 4.4006 -1.7103 1.0274 O.3 1 UNL1111111111 -0.5354 8 O 2.2117 2.6957 -0.3096 O.2 1 UNL1111111111 -0.5308 9 C -1.5299 -0.6454 -1.2285 C.3 1 UNL1111111111 0.0367 10 C -1.4134 -1.1307 0.2469 C.3 1 UNL1111111111 -0.1644 11 C -1.3517 0.9042 -1.2812 C.3 1 UNL1111111111 0.0767 12 C -0.1248 0.9723 0.8822 C.3 1 UNL1111111111 -0.2125 13 C -0.1893 -0.5697 0.9938 C.3 1 UNL1111111111 0.1347 14 C -0.0423 1.3236 -0.6069 C.3 1 UNL1111111111 0.0709 15 C -0.4777 -1.2744 -2.1432 C.3 1 UNL1111111111 -0.4586 16 C -1.3333 1.5886 1.5021 C.2 1 UNL1111111111 -0.1426 17 C -2.9356 -0.9394 -1.6923 C.2 1 UNL1111111111 -0.1369 18 C -1.5319 -2.6185 0.3574 C.2 1 UNL1111111111 -0.1067 19 C -2.4673 1.9339 0.6150 C.2 1 UNL1111111111 0.5918 20 C -1.4302 1.8357 2.8113 C.2 1 UNL1111111111 -0.2030 21 C -3.2735 -1.7917 -2.6576 C.2 1 UNL1111111111 -0.3241 22 C 2.1503 -0.9716 1.0495 C.2 1 UNL1111111111 0.5364 23 C -2.9026 -3.1199 0.6653 C.2 1 UNL1111111111 0.3246 24 C -0.5378 -3.4976 0.2221 C.2 1 UNL1111111111 -0.2630 25 C 1.2201 3.3326 -0.5579 C.2 1 UNL1111111111 0.6424 26 C 3.3515 -1.3421 0.1654 C.3 1 UNL1111111111 0.2694 27 C 3.7167 -0.0877 -0.6453 C.3 1 UNL1111111111 -0.3116 28 C 1.0750 4.8053 -0.6948 C.3 1 UNL1111111111 -0.5120 29 C 3.0790 -2.5816 -0.6735 C.3 1 UNL1111111111 -0.4607 30 C 5.0355 -0.2725 -1.3877 C.3 1 UNL1111111111 -0.4197 31 H -2.3070 -0.6834 0.7941 H 1 UNL1111111111 0.1941 32 H -1.4206 1.2780 -2.3310 H 1 UNL1111111111 0.1670 33 H 0.8041 1.3345 1.4013 H 1 UNL1111111111 0.1948 34 H -0.1935 -0.8989 2.0592 H 1 UNL1111111111 0.1596 35 H 0.8483 0.8659 -1.0956 H 1 UNL1111111111 0.1631 36 H 0.5455 -1.0565 -1.8155 H 1 UNL1111111111 0.1588 37 H -0.5730 -2.3679 -2.1608 H 1 UNL1111111111 0.1587 38 H -0.5806 -0.9212 -3.1759 H 1 UNL1111111111 0.1492 39 H -3.7046 -0.3749 -1.1502 H 1 UNL1111111111 0.1718 40 H -2.3130 2.2783 3.2650 H 1 UNL1111111111 0.1736 41 H -0.6445 1.6153 3.5228 H 1 UNL1111111111 0.1589 42 H -2.5797 -2.3791 -3.2349 H 1 UNL1111111111 0.1413 43 H -4.2996 -1.9642 -2.9499 H 1 UNL1111111111 0.1488 44 H -3.1519 -4.1400 0.3468 H 1 UNL1111111111 0.1137 45 H -0.6643 -4.5668 0.3127 H 1 UNL1111111111 0.1437 46 H 0.4881 -3.2173 0.0182 H 1 UNL1111111111 0.1707 47 H 3.7860 0.7976 0.0246 H 1 UNL1111111111 0.1700 48 H 2.9046 0.1571 -1.3569 H 1 UNL1111111111 0.1538 49 H 0.6506 5.0844 -1.6732 H 1 UNL1111111111 0.1906 50 H 2.0471 5.3113 -0.5858 H 1 UNL1111111111 0.1862 51 H 0.3912 5.2130 0.0696 H 1 UNL1111111111 0.1931 52 H 2.8201 -3.4405 -0.0397 H 1 UNL1111111111 0.1626 53 H 2.2679 -2.4168 -1.3917 H 1 UNL1111111111 0.1603 54 H 3.9801 -2.8711 -1.2342 H 1 UNL1111111111 0.1714 55 H 4.5516 -1.0238 1.7175 H 1 UNL1111111111 0.3340 56 H 4.9415 -0.9820 -2.2168 H 1 UNL1111111111 0.1400 57 H 5.3899 0.6778 -1.8040 H 1 UNL1111111111 0.1441 58 H 5.8192 -0.6537 -0.7179 H 1 UNL1111111111 0.1585 @BOND 1 1 11 1 2 1 19 1 3 2 13 1 4 2 22 1 5 3 14 1 6 3 25 1 7 4 19 2 8 5 22 2 9 6 23 2 10 7 26 1 11 7 55 1 12 8 25 2 13 9 10 1 14 9 11 1 15 9 15 1 16 9 17 1 17 10 13 1 18 10 18 1 19 10 31 1 20 11 14 1 21 11 32 1 22 12 13 1 23 12 14 1 24 12 16 1 25 12 33 1 26 13 34 1 27 14 35 1 28 15 36 1 29 15 37 1 30 15 38 1 31 16 19 1 32 16 20 2 33 17 21 2 34 17 39 1 35 18 23 1 36 18 24 2 37 20 40 1 38 20 41 1 39 21 42 1 40 21 43 1 41 22 26 1 42 23 44 1 43 24 45 1 44 24 46 1 45 25 28 1 46 26 27 1 47 26 29 1 48 27 30 1 49 27 47 1 50 27 48 1 51 28 49 1 52 28 50 1 53 28 51 1 54 29 52 1 55 29 53 1 56 29 54 1 57 30 56 1 58 30 57 1 59 30 58 1