@MOLECULE 3-ethoxy-6,9,10a-trihydroxy-7-methoxy-3-methyl-3,4,4a,10a-tetrahydro-1h-benzo[g]isochromene-5,10-dione 45 47 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.9939 -0.1304 1.1445 O.3 1 UNL1111111111 -0.4268 2 O 2.7647 2.2652 -0.6961 O.3 1 UNL1111111111 -0.5365 3 O 1.5049 -1.7518 0.4253 O.3 1 UNL1111111111 -0.4745 4 O 0.2009 -1.3818 -2.1168 O.2 1 UNL1111111111 -0.4924 5 O 0.4387 3.4309 -0.2050 O.2 1 UNL1111111111 -0.4052 6 O -2.1507 -1.8560 -1.1310 O.3 1 UNL1111111111 -0.4899 7 O -1.8326 3.1077 1.1516 O.3 1 UNL1111111111 -0.4134 8 O -4.3389 -0.7637 0.3069 O.3 1 UNL1111111111 -0.2908 9 C 1.6230 0.3480 -1.3779 C.3 1 UNL1111111111 -0.2059 10 C 1.7093 1.4269 -0.2883 C.3 1 UNL1111111111 0.1519 11 C 2.7586 -0.6634 -1.2043 C.3 1 UNL1111111111 -0.3177 12 C 2.7815 -1.1910 0.2386 C.3 1 UNL1111111111 0.4755 13 C 2.0167 0.8833 1.1214 C.3 1 UNL1111111111 -0.0600 14 C 0.3033 -0.3881 -1.4208 C.2 1 UNL1111111111 0.5171 15 C 0.3948 2.2263 -0.2044 C.2 1 UNL1111111111 0.4223 16 C -0.8707 0.1359 -0.6859 C.ar 1 UNL1111111111 -0.1757 17 C -0.8214 1.4204 -0.1000 C.ar 1 UNL1111111111 -0.2615 18 C 3.9153 -2.1703 0.5211 C.3 1 UNL1111111111 -0.5087 19 C -2.0239 -0.6296 -0.5878 C.ar 1 UNL1111111111 0.1838 20 C -1.9415 1.8902 0.5787 C.ar 1 UNL1111111111 0.3434 21 C 1.2372 -2.3040 1.7104 C.3 1 UNL1111111111 0.0044 22 C -3.1639 -0.1340 0.1215 C.ar 1 UNL1111111111 0.2591 23 C -3.1151 1.1241 0.7023 C.ar 1 UNL1111111111 -0.3775 24 C -0.2770 -2.2265 1.8661 C.3 1 UNL1111111111 -0.4678 25 C -4.5137 -2.0669 -0.2440 C.3 1 UNL1111111111 -0.1872 26 H 1.7536 0.8604 -2.3756 H 1 UNL1111111111 0.1960 27 H 2.6498 -1.5035 -1.9190 H 1 UNL1111111111 0.1754 28 H 3.7306 -0.1721 -1.4197 H 1 UNL1111111111 0.1775 29 H 2.4833 1.6678 1.7506 H 1 UNL1111111111 0.1585 30 H 1.1005 0.4963 1.6078 H 1 UNL1111111111 0.1388 31 H 4.0289 -2.3544 1.5967 H 1 UNL1111111111 0.1653 32 H 3.7269 -3.1304 0.0268 H 1 UNL1111111111 0.1664 33 H 4.8759 -1.7778 0.1652 H 1 UNL1111111111 0.1675 34 H 2.5424 3.2123 -0.5230 H 1 UNL1111111111 0.3381 35 H 1.5998 -3.3470 1.6941 H 1 UNL1111111111 0.1153 36 H 1.7646 -1.7382 2.4981 H 1 UNL1111111111 0.1284 37 H -3.9791 1.5068 1.2401 H 1 UNL1111111111 0.1852 38 H -0.6126 -2.7609 2.7598 H 1 UNL1111111111 0.1475 39 H -0.6200 -1.1877 1.9396 H 1 UNL1111111111 0.1536 40 H -0.7830 -2.6693 0.9961 H 1 UNL1111111111 0.1636 41 H -1.3073 -2.0939 -1.6560 H 1 UNL1111111111 0.3843 42 H -2.6772 3.3925 1.5875 H 1 UNL1111111111 0.3240 43 H -5.5391 -2.3049 0.0676 H 1 UNL1111111111 0.1464 44 H -3.7980 -2.7735 0.1902 H 1 UNL1111111111 0.1495 45 H -4.4321 -2.0424 -1.3366 H 1 UNL1111111111 0.1528 @BOND 1 1 12 1 2 1 13 1 3 2 10 1 4 2 34 1 5 3 12 1 6 3 21 1 7 4 14 2 8 5 15 2 9 6 19 1 10 6 41 1 11 7 20 1 12 7 42 1 13 8 22 1 14 8 25 1 15 9 10 1 16 9 11 1 17 9 14 1 18 9 26 1 19 10 13 1 20 10 15 1 21 11 12 1 22 11 27 1 23 11 28 1 24 12 18 1 25 13 29 1 26 13 30 1 27 14 16 1 28 15 17 1 29 16 17 ar 30 16 19 ar 31 17 20 ar 32 18 31 1 33 18 32 1 34 18 33 1 35 19 22 ar 36 20 23 ar 37 21 24 1 38 21 35 1 39 21 36 1 40 22 23 ar 41 23 37 1 42 24 38 1 43 24 39 1 44 24 40 1 45 25 43 1 46 25 44 1 47 25 45 1