@MOLECULE (2r,6as,12as)-6a-hydroxy-2-isopropenyl-8,9-dimethoxy-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6ah)-one 52 56 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0364 -1.2183 -1.4209 O.3 1 UNL1111111111 -0.3083 2 O 1.2243 -0.1786 -2.7415 O.3 1 UNL1111111111 -0.2969 3 O 1.9418 -3.1284 -0.7030 O.3 1 UNL1111111111 -0.5363 4 O -4.5282 0.3204 1.1726 O.3 1 UNL1111111111 -0.3156 5 O 1.0068 -2.7124 1.8001 O.2 1 UNL1111111111 -0.4675 6 O 4.1828 1.2651 1.6539 O.3 1 UNL1111111111 -0.3209 7 O 3.9902 2.8556 -0.6918 O.3 1 UNL1111111111 -0.2931 8 C 1.1257 -2.0018 -0.4659 C.3 1 UNL1111111111 0.1718 9 C 0.1053 -2.0568 -1.6180 C.3 1 UNL1111111111 0.0372 10 C 1.9249 -0.7418 -0.4774 C.ar 1 UNL1111111111 -0.2351 11 C 0.4217 -2.1660 0.8948 C.2 1 UNL1111111111 0.4606 12 C -1.5413 -1.1152 -0.1772 C.ar 1 UNL1111111111 0.3499 13 C 0.7391 -1.5063 -2.8938 C.3 1 UNL1111111111 -0.0648 14 C -0.9055 -1.5889 0.9885 C.ar 1 UNL1111111111 -0.3729 15 C -2.7654 -0.4733 -0.0768 C.ar 1 UNL1111111111 -0.2719 16 C -3.6550 0.1552 -1.0911 C.3 1 UNL1111111111 -0.2691 17 C 1.9237 0.0792 -1.6055 C.ar 1 UNL1111111111 0.2846 18 C -4.7953 0.7359 -0.2059 C.3 1 UNL1111111111 0.0806 19 C -3.3446 -0.3323 1.1971 C.ar 1 UNL1111111111 0.3338 20 C -1.5320 -1.4511 2.2362 C.ar 1 UNL1111111111 0.0595 21 C 2.6877 -0.3589 0.6314 C.ar 1 UNL1111111111 -0.1486 22 C -2.7633 -0.8203 2.3671 C.ar 1 UNL1111111111 -0.3451 23 C 2.6268 1.2890 -1.6405 C.ar 1 UNL1111111111 -0.3285 24 C -4.8187 2.2368 -0.2321 C.2 1 UNL1111111111 0.0312 25 C 3.3910 0.8341 0.6232 C.ar 1 UNL1111111111 0.0436 26 C 3.3606 1.6720 -0.5192 C.ar 1 UNL1111111111 0.2480 27 C -3.8150 2.9164 0.6302 C.3 1 UNL1111111111 -0.4523 28 C -5.6873 2.8894 -1.0067 C.2 1 UNL1111111111 -0.3631 29 C 3.8789 0.7268 2.9347 C.3 1 UNL1111111111 -0.2011 30 C 4.7785 3.3666 0.3757 C.3 1 UNL1111111111 -0.1933 31 H -0.2796 -3.0946 -1.7544 H 1 UNL1111111111 0.1635 32 H 1.5809 -2.1515 -3.2175 H 1 UNL1111111111 0.1604 33 H 0.0031 -1.3821 -3.7122 H 1 UNL1111111111 0.1611 34 H -3.1364 0.9396 -1.6751 H 1 UNL1111111111 0.1725 35 H -4.0354 -0.5742 -1.8277 H 1 UNL1111111111 0.1604 36 H -5.7820 0.2763 -0.4171 H 1 UNL1111111111 0.1497 37 H -1.0212 -1.8471 3.1218 H 1 UNL1111111111 0.1705 38 H 2.7201 -1.0120 1.5061 H 1 UNL1111111111 0.1783 39 H 2.4936 -3.3169 0.0947 H 1 UNL1111111111 0.3440 40 H -3.2530 -0.7041 3.3264 H 1 UNL1111111111 0.1813 41 H 2.6008 1.9187 -2.5274 H 1 UNL1111111111 0.1954 42 H -4.0350 2.7450 1.6971 H 1 UNL1111111111 0.1700 43 H -2.7989 2.5295 0.4527 H 1 UNL1111111111 0.1677 44 H -3.7845 4.0023 0.4742 H 1 UNL1111111111 0.1556 45 H -5.7267 3.9647 -1.0799 H 1 UNL1111111111 0.1546 46 H -6.4256 2.4089 -1.6270 H 1 UNL1111111111 0.1480 47 H 2.8165 0.8328 3.1751 H 1 UNL1111111111 0.1375 48 H 4.4888 1.3502 3.6005 H 1 UNL1111111111 0.1448 49 H 4.1980 -0.3189 2.9946 H 1 UNL1111111111 0.1350 50 H 4.1627 3.5553 1.2607 H 1 UNL1111111111 0.1423 51 H 5.1521 4.3079 -0.0486 H 1 UNL1111111111 0.1458 52 H 5.6083 2.6891 0.6058 H 1 UNL1111111111 0.1454 @BOND 1 1 9 1 2 1 12 1 3 2 13 1 4 2 17 1 5 3 8 1 6 3 39 1 7 4 18 1 8 4 19 1 9 5 11 2 10 6 25 1 11 6 29 1 12 7 26 1 13 7 30 1 14 8 9 1 15 8 10 1 16 8 11 1 17 9 13 1 18 9 31 1 19 10 17 ar 20 10 21 ar 21 11 14 1 22 12 14 ar 23 12 15 ar 24 13 32 1 25 13 33 1 26 14 20 ar 27 15 16 1 28 15 19 ar 29 16 18 1 30 16 34 1 31 16 35 1 32 17 23 ar 33 18 24 1 34 18 36 1 35 19 22 ar 36 20 22 ar 37 20 37 1 38 21 25 ar 39 21 38 1 40 22 40 1 41 23 26 ar 42 23 41 1 43 24 27 1 44 24 28 2 45 25 26 ar 46 27 42 1 47 27 43 1 48 27 44 1 49 28 45 1 50 28 46 1 51 29 47 1 52 29 48 1 53 29 49 1 54 30 50 1 55 30 51 1 56 30 52 1