@MOLECULE (4s,8ar,12s,12ar)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2h-3-benzoxecine-2,9(1h)-dione 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7934 0.8880 -0.5516 O.3 1 UNL111111111 -0.4494 2 O 2.9708 1.9920 0.3705 O.3 1 UNL111111111 -0.5306 3 O 2.3773 -2.4622 0.7208 O.2 1 UNL111111111 -0.4349 4 O -2.0266 1.7866 1.4940 O.2 1 UNL111111111 -0.5311 5 C 0.9536 0.7674 -0.2449 C.3 1 UNL111111111 -0.1472 6 C 1.1890 -0.4056 0.7249 C.3 1 UNL111111111 -0.2237 7 C -0.0871 -1.2013 1.0559 C.3 1 UNL111111111 -0.2671 8 C 2.3027 1.3713 -0.7039 C.3 1 UNL111111111 0.1199 9 C 0.1186 1.8873 0.3870 C.3 1 UNL111111111 -0.3528 10 C -0.7945 -1.7622 -0.1829 C.3 1 UNL111111111 -0.2734 11 C 2.2390 -1.3774 0.2092 C.2 1 UNL111111111 0.4494 12 C -2.2723 -2.0835 0.0781 C.3 1 UNL111111111 -0.2530 13 C -3.1300 -0.8770 0.4801 C.3 1 UNL111111111 -0.3293 14 C 3.1810 0.3128 -1.3138 C.2 1 UNL111111111 -0.1395 15 C -3.1137 0.3152 -0.4834 C.3 1 UNL111111111 0.1718 16 C 3.1353 -0.9508 -0.8903 C.2 1 UNL111111111 -0.2683 17 C -1.3305 1.5285 0.5435 C.2 1 UNL111111111 0.6194 18 C -3.4092 -0.0474 -1.9341 C.3 1 UNL111111111 -0.4746 19 H 0.4245 0.3867 -1.1584 H 1 UNL111111111 0.1723 20 H 1.5822 0.0087 1.6931 H 1 UNL111111111 0.1669 21 H -0.7762 -0.5640 1.6425 H 1 UNL111111111 0.1518 22 H 0.1766 -2.0398 1.7380 H 1 UNL111111111 0.1618 23 H 2.1381 2.2292 -1.3999 H 1 UNL111111111 0.1536 24 H 0.1887 2.8149 -0.2253 H 1 UNL111111111 0.1819 25 H 0.5365 2.1734 1.3797 H 1 UNL111111111 0.1920 26 H -0.2725 -2.6800 -0.5197 H 1 UNL111111111 0.1392 27 H -0.7236 -1.0544 -1.0324 H 1 UNL111111111 0.1492 28 H -2.7004 -2.5552 -0.8280 H 1 UNL111111111 0.1338 29 H -2.3425 -2.8502 0.8763 H 1 UNL111111111 0.1386 30 H -4.1811 -1.2102 0.6024 H 1 UNL111111111 0.1459 31 H -2.8227 -0.5214 1.4885 H 1 UNL111111111 0.1659 32 H 3.8567 0.6509 -2.0970 H 1 UNL111111111 0.1591 33 H -3.8017 1.1136 -0.1159 H 1 UNL111111111 0.1333 34 H 3.7585 -1.7433 -1.3061 H 1 UNL111111111 0.1782 35 H 3.2835 1.3320 1.0240 H 1 UNL111111111 0.3160 36 H -2.6408 -0.7150 -2.3451 H 1 UNL111111111 0.1627 37 H -4.3768 -0.5527 -2.0234 H 1 UNL111111111 0.1561 38 H -3.4294 0.8466 -2.5694 H 1 UNL111111111 0.1560 @BOND 1 1 15 1 2 1 17 1 3 2 8 1 4 2 35 1 5 3 11 2 6 4 17 2 7 5 6 1 8 5 8 1 9 5 9 1 10 5 19 1 11 6 7 1 12 6 11 1 13 6 20 1 14 7 10 1 15 7 21 1 16 7 22 1 17 8 14 1 18 8 23 1 19 9 17 1 20 9 24 1 21 9 25 1 22 10 12 1 23 10 26 1 24 10 27 1 25 11 16 1 26 12 13 1 27 12 28 1 28 12 29 1 29 13 15 1 30 13 30 1 31 13 31 1 32 14 16 2 33 14 32 1 34 15 18 1 35 15 33 1 36 16 34 1 37 18 36 1 38 18 37 1 39 18 38 1