@MOLECULE 6,10-dihydroxy-5,7-dimethoxy-1,3-dimethyl-1h-benzo[g]isochromene-8,9-dione 40 42 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.2523 0.5527 -0.4730 O.2 1 UNL111111111 -0.3627 2 O -0.4657 -2.5678 0.4289 O.3 1 UNL111111111 -0.3013 3 O -0.8461 2.8535 -0.2348 O.3 1 UNL111111111 -0.4726 4 O 2.0409 -2.3681 0.5787 O.2 1 UNL111111111 -0.3989 5 O 4.3368 -0.9729 0.5000 O.2 1 UNL111111111 -0.3003 6 O 1.7482 2.9873 -0.1279 O.2 1 UNL111111111 -0.4379 7 O 4.1556 1.7413 -0.3774 O.2 1 UNL111111111 -0.3507 8 C -1.8425 0.7688 -0.0577 C.ar 1 UNL111111111 -0.2449 9 C -3.1758 1.4399 -0.1118 C.3 1 UNL111111111 0.1789 10 C -1.7607 -0.6098 0.0654 C.ar 1 UNL111111111 0.1358 11 C 0.6853 -0.4693 0.1553 C.ar 1 UNL111111111 -0.0103 12 C 0.6067 0.9407 -0.0077 C.ar 1 UNL111111111 -0.3552 13 C -0.6591 1.5348 -0.0990 C.ar 1 UNL111111111 0.3953 14 C -0.4758 -1.2199 0.1783 C.ar 1 UNL111111111 0.1275 15 C -2.9678 -1.3821 0.0534 C.2 1 UNL111111111 -0.4352 16 C -4.1407 -0.7638 -0.2268 C.2 1 UNL111111111 0.3675 17 C -3.5426 2.0473 1.2389 C.3 1 UNL111111111 -0.4840 18 C 2.0175 -1.0510 0.3043 C.2 1 UNL111111111 0.2847 19 C 1.8004 1.7745 -0.0756 C.2 1 UNL111111111 0.4041 20 C 3.1650 -0.3265 0.1964 C.2 1 UNL111111111 -0.1582 21 C 3.1772 1.0975 -0.1028 C.2 1 UNL111111111 0.3633 22 C -5.4679 -1.4142 -0.3689 C.3 1 UNL111111111 -0.4787 23 C -0.2975 -3.3419 -0.7585 C.3 1 UNL111111111 -0.1976 24 C 5.2557 -1.0222 -0.5924 C.3 1 UNL111111111 -0.2112 25 H -3.2386 2.1896 -0.9406 H 1 UNL111111111 0.1611 26 H -2.9084 -2.4470 0.2538 H 1 UNL111111111 0.1941 27 H -2.8532 2.8646 1.4942 H 1 UNL111111111 0.1736 28 H -4.5605 2.4547 1.2279 H 1 UNL111111111 0.1591 29 H -3.4921 1.3044 2.0440 H 1 UNL111111111 0.1611 30 H -5.4110 -2.3258 -0.9824 H 1 UNL111111111 0.1750 31 H -6.2106 -0.7466 -0.8380 H 1 UNL111111111 0.1807 32 H -5.8720 -1.7013 0.6159 H 1 UNL111111111 0.1796 33 H 0.0452 3.3530 -0.2389 H 1 UNL111111111 0.3834 34 H -1.1336 -3.1815 -1.4453 H 1 UNL111111111 0.1265 35 H -0.2991 -4.3672 -0.3704 H 1 UNL111111111 0.1468 36 H 0.6585 -3.1155 -1.2399 H 1 UNL111111111 0.1363 37 H 2.9860 -2.6774 0.7230 H 1 UNL111111111 0.3396 38 H 4.8070 -1.4989 -1.4657 H 1 UNL111111111 0.1243 39 H 6.0737 -1.6271 -0.1844 H 1 UNL111111111 0.1434 40 H 5.6140 -0.0139 -0.8360 H 1 UNL111111111 0.1581 @BOND 1 1 9 1 2 1 16 1 3 2 14 1 4 2 23 1 5 3 13 1 6 3 33 1 7 4 18 1 8 4 37 1 9 5 20 1 10 5 24 1 11 6 19 2 12 7 21 2 13 8 9 1 14 8 10 ar 15 8 13 ar 16 9 17 1 17 9 25 1 18 10 14 ar 19 10 15 1 20 11 12 ar 21 11 14 ar 22 11 18 1 23 12 13 ar 24 12 19 1 25 15 16 2 26 15 26 1 27 16 22 1 28 17 27 1 29 17 28 1 30 17 29 1 31 18 20 2 32 19 21 1 33 20 21 1 34 22 30 1 35 22 31 1 36 22 32 1 37 23 34 1 38 23 35 1 39 23 36 1 40 24 38 1 41 24 39 1 42 24 40 1