@MOLECULE (3e)-2,5-dihydroxy-7-methoxy-3-(methoxymethylene)-2-(2-oxopropyl)-2,3-dihydro-1,4-naphthalenedione 39 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0960 -1.1707 1.2253 O.3 1 UNL11111111 -0.5180 2 O 0.3152 -2.2588 1.2866 O.2 1 UNL11111111 -0.3881 3 O -0.1877 2.8041 -0.1537 O.2 1 UNL11111111 -0.5733 4 O -3.5492 0.8099 0.7675 O.2 1 UNL11111111 -0.2226 5 O 2.3436 2.9919 -0.6591 O.3 1 UNL11111111 -0.4671 6 O 5.0234 -0.7299 -0.1809 O.3 1 UNL11111111 -0.2970 7 O -3.4406 -2.4863 -0.7905 O.2 1 UNL11111111 -0.4664 8 C -1.1772 -0.6903 0.2816 C.3 1 UNL11111111 0.2806 9 C -1.2660 0.7991 0.3222 C.2 1 UNL11111111 -0.3760 10 C -1.4523 -1.2541 -1.1326 C.3 1 UNL11111111 -0.4598 11 C 0.2125 -1.2105 0.7047 C.2 1 UNL11111111 0.3842 12 C 1.3999 -0.4012 0.3163 C.ar 1 UNL11111111 0.0434 13 C 1.2361 0.9535 -0.0064 C.ar 1 UNL11111111 -0.3790 14 C -0.0723 1.5954 0.0447 C.2 1 UNL11111111 0.5538 15 C 2.6354 -1.0165 0.2796 C.ar 1 UNL11111111 -0.3278 16 C 2.3883 1.6923 -0.3601 C.ar 1 UNL11111111 0.4313 17 C -2.9331 -1.5195 -1.3009 C.2 1 UNL11111111 0.5333 18 C -2.4041 1.4869 0.6021 C.2 1 UNL11111111 0.2214 19 C 3.7617 -0.2545 -0.0959 C.ar 1 UNL11111111 0.3337 20 C 3.6558 1.0955 -0.4191 C.ar 1 UNL11111111 -0.3835 21 C -3.7078 -0.5565 -2.1444 C.3 1 UNL11111111 -0.5478 22 C -4.6715 1.6111 1.1462 C.3 1 UNL11111111 -0.2362 23 C 5.2387 -2.0935 0.1672 C.3 1 UNL11111111 -0.2058 24 H -0.9053 -2.2093 -1.2868 H 1 UNL11111111 0.1835 25 H -1.0678 -0.5584 -1.8998 H 1 UNL11111111 0.1795 26 H 2.7285 -2.0656 0.5517 H 1 UNL11111111 0.1884 27 H -2.2231 -2.1488 1.1306 H 1 UNL11111111 0.3471 28 H -2.4341 2.5788 0.6817 H 1 UNL11111111 0.1636 29 H 4.5265 1.6822 -0.7023 H 1 UNL11111111 0.2003 30 H -3.3019 -0.4833 -3.1612 H 1 UNL11111111 0.1725 31 H -4.7631 -0.8564 -2.2291 H 1 UNL11111111 0.1778 32 H -3.6878 0.4513 -1.7041 H 1 UNL11111111 0.1796 33 H 1.3873 3.3526 -0.5596 H 1 UNL11111111 0.3866 34 H -5.4762 0.8640 1.2134 H 1 UNL11111111 0.1677 35 H -4.9022 2.3583 0.3833 H 1 UNL11111111 0.1350 36 H -4.5057 2.0714 2.1253 H 1 UNL11111111 0.1459 37 H 6.3244 -2.1949 0.0280 H 1 UNL11111111 0.1574 38 H 4.7014 -2.7604 -0.5141 H 1 UNL11111111 0.1388 39 H 4.9677 -2.2793 1.2117 H 1 UNL11111111 0.1430 @BOND 1 1 8 1 2 1 27 1 3 2 11 2 4 3 14 2 5 4 18 1 6 4 22 1 7 5 16 1 8 5 33 1 9 6 19 1 10 6 23 1 11 7 17 2 12 8 9 1 13 8 10 1 14 8 11 1 15 9 14 1 16 9 18 2 17 10 17 1 18 10 24 1 19 10 25 1 20 11 12 1 21 12 13 ar 22 12 15 ar 23 13 14 1 24 13 16 ar 25 15 19 ar 26 15 26 1 27 16 20 ar 28 17 21 1 29 18 28 1 30 19 20 ar 31 20 29 1 32 21 30 1 33 21 31 1 34 21 32 1 35 22 34 1 36 22 35 1 37 22 36 1 38 23 37 1 39 23 38 1 40 23 39 1