@MOLECULE 2,6-dihydroxy-2-(4-hydroxybenzyl)-4-methoxy-1-benzofuran-3(2h)-one 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1196 0.5226 -0.1848 O.3 1 UNL111111111 -0.3719 2 O 0.7047 -1.2667 -1.4919 O.3 1 UNL111111111 -0.5063 3 O -1.3201 -2.7167 0.1393 O.2 1 UNL111111111 -0.3855 4 O -4.0471 -1.4268 0.1699 O.3 1 UNL111111111 -0.2500 5 O -3.6297 3.3788 -0.1205 O.3 1 UNL111111111 -0.4560 6 O 6.2048 1.3024 -0.2581 O.3 1 UNL111111111 -0.4699 7 C 0.3165 -0.9365 -0.2142 C.3 1 UNL111111111 0.3595 8 C 1.3381 -1.2594 0.8625 C.3 1 UNL111111111 -0.3385 9 C -1.1216 -1.5496 -0.0141 C.2 1 UNL111111111 0.4731 10 C -1.9963 -0.3968 -0.0172 C.ar 1 UNL111111111 -0.4771 11 C -1.2052 0.7746 -0.1397 C.ar 1 UNL111111111 0.4173 12 C 2.6471 -0.6034 0.5594 C.ar 1 UNL111111111 -0.0810 13 C -3.3862 -0.2639 0.0614 C.ar 1 UNL111111111 0.4283 14 C -1.7308 2.0531 -0.1713 C.ar 1 UNL111111111 -0.4326 15 C -3.9700 1.0106 0.0287 C.ar 1 UNL111111111 -0.5486 16 C -3.1299 2.1261 -0.0860 C.ar 1 UNL111111111 0.4477 17 C 3.6912 -1.3429 0.0055 C.ar 1 UNL111111111 -0.0935 18 C 2.8158 0.7632 0.8226 C.ar 1 UNL111111111 -0.0789 19 C 4.9093 -0.7344 -0.2903 C.ar 1 UNL111111111 -0.3125 20 C 4.0189 1.3915 0.5379 C.ar 1 UNL111111111 -0.2466 21 C 5.0530 0.6255 -0.0146 C.ar 1 UNL111111111 0.2904 22 C -5.4701 -1.3750 0.2303 C.3 1 UNL111111111 -0.2163 23 H 1.4380 -2.3677 0.9324 H 1 UNL111111111 0.1841 24 H 0.9583 -0.9414 1.8586 H 1 UNL111111111 0.1771 25 H -1.1186 2.9415 -0.2637 H 1 UNL111111111 0.2053 26 H 1.5659 -0.8413 -1.7287 H 1 UNL111111111 0.3413 27 H -5.0397 1.1384 0.0889 H 1 UNL111111111 0.1765 28 H 3.5596 -2.4064 -0.1984 H 1 UNL111111111 0.1578 29 H 1.9887 1.3381 1.2454 H 1 UNL111111111 0.1677 30 H 5.7231 -1.3079 -0.7190 H 1 UNL111111111 0.1619 31 H 4.1732 2.4500 0.7319 H 1 UNL111111111 0.1774 32 H -4.6181 3.4009 -0.0672 H 1 UNL111111111 0.3324 33 H -5.7291 -2.4419 0.3040 H 1 UNL111111111 0.1622 34 H -5.8856 -0.9433 -0.6850 H 1 UNL111111111 0.1402 35 H -5.8058 -0.8377 1.1218 H 1 UNL111111111 0.1375 36 H 6.9003 0.7268 -0.6578 H 1 UNL111111111 0.3273 @BOND 1 1 7 1 2 1 11 1 3 2 7 1 4 2 26 1 5 3 9 2 6 4 13 1 7 4 22 1 8 5 16 1 9 5 32 1 10 6 21 1 11 6 36 1 12 7 8 1 13 7 9 1 14 8 12 1 15 8 23 1 16 8 24 1 17 9 10 1 18 10 11 ar 19 10 13 ar 20 11 14 ar 21 12 17 ar 22 12 18 ar 23 13 15 ar 24 14 16 ar 25 14 25 1 26 15 16 ar 27 15 27 1 28 17 19 ar 29 17 28 1 30 18 20 ar 31 18 29 1 32 19 21 ar 33 19 30 1 34 20 21 ar 35 20 31 1 36 22 33 1 37 22 34 1 38 22 35 1