@MOLECULE methyl (3r,4as,8r,8as)-8-hydroxy-3-methyl-2-oxo-2,3,4a,5,8,8a-hexahydro-1,4-benzodioxine-6-carboxylate 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.3563 -1.6412 0.0117 O.3 1 UNL1111111111 -0.3900 2 O -2.3451 1.0180 0.0961 O.3 1 UNL1111111111 -0.4263 3 O -0.3197 2.9297 -0.8590 O.3 1 UNL1111111111 -0.5312 4 O -4.3238 0.3073 0.6591 O.2 1 UNL1111111111 -0.4261 5 O 3.4718 -1.2508 -0.1747 O.3 1 UNL1111111111 -0.4046 6 O 4.0748 0.8408 0.3862 O.2 1 UNL1111111111 -0.4878 7 C -0.5681 -0.5600 0.4759 C.3 1 UNL1111111111 0.0605 8 C -1.0178 0.6870 -0.2936 C.3 1 UNL1111111111 0.0110 9 C 0.8765 -0.9223 0.1329 C.3 1 UNL1111111111 -0.2908 10 C -0.1581 1.9020 0.0966 C.3 1 UNL1111111111 0.1143 11 C 1.7472 0.2894 0.1191 C.2 1 UNL1111111111 -0.1254 12 C 1.3009 1.5513 0.0701 C.2 1 UNL1111111111 -0.0961 13 C -2.7482 -1.4525 0.2110 C.3 1 UNL1111111111 0.0292 14 C -3.2111 -0.0094 0.3355 C.2 1 UNL1111111111 0.5428 15 C -3.4145 -2.0849 -1.0044 C.3 1 UNL1111111111 -0.4551 16 C 3.2052 0.0458 0.1367 C.2 1 UNL1111111111 0.5885 17 C 4.8478 -1.6184 -0.1839 C.3 1 UNL1111111111 -0.1696 18 H -0.7145 -0.4439 1.5732 H 1 UNL1111111111 0.1416 19 H -1.0284 0.5254 -1.3947 H 1 UNL1111111111 0.1689 20 H 1.2561 -1.6902 0.8437 H 1 UNL1111111111 0.1787 21 H 0.9187 -1.4323 -0.8602 H 1 UNL1111111111 0.1888 22 H -0.4572 2.3005 1.0998 H 1 UNL1111111111 0.1556 23 H 1.9750 2.4143 0.0063 H 1 UNL1111111111 0.1943 24 H -2.9982 -1.9989 1.1556 H 1 UNL1111111111 0.1615 25 H -3.1714 -1.5480 -1.9307 H 1 UNL1111111111 0.1639 26 H -4.5077 -2.1025 -0.8978 H 1 UNL1111111111 0.1704 27 H -3.0710 -3.1208 -1.1402 H 1 UNL1111111111 0.1706 28 H -1.2694 3.1816 -0.9176 H 1 UNL1111111111 0.3317 29 H 5.4078 -0.9903 -0.8854 H 1 UNL1111111111 0.1439 30 H 5.2656 -1.5298 0.8243 H 1 UNL1111111111 0.1397 31 H 4.8197 -2.6626 -0.5168 H 1 UNL1111111111 0.1471 @BOND 1 1 7 1 2 1 13 1 3 2 8 1 4 2 14 1 5 3 10 1 6 3 28 1 7 4 14 2 8 5 16 1 9 5 17 1 10 6 16 2 11 7 8 1 12 7 9 1 13 7 18 1 14 8 10 1 15 8 19 1 16 9 11 1 17 9 20 1 18 9 21 1 19 10 12 1 20 10 22 1 21 11 12 2 22 11 16 1 23 12 23 1 24 13 14 1 25 13 15 1 26 13 24 1 27 15 25 1 28 15 26 1 29 15 27 1 30 17 29 1 31 17 30 1 32 17 31 1