@MOLECULE (3s)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1h-isochromen-1-one 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8791 1.0553 -0.0408 O.3 1 UNL1111111111 -0.1769 2 O -2.3416 2.6773 -0.0386 O.2 1 UNL1111111111 -0.3634 3 O -4.9366 2.1519 0.2738 O.3 1 UNL1111111111 -0.2995 4 O -6.2077 -2.3705 -0.1809 O.3 1 UNL1111111111 -0.2853 5 O 7.1764 -0.6160 -0.1180 O.3 1 UNL1111111111 -0.0159 6 C -0.6182 -0.3221 0.2606 C.3 1 UNL1111111111 0.3064 7 C -1.5238 -1.2405 -0.5659 C.3 1 UNL1111111111 -0.8996 8 C 0.8615 -0.4923 -0.0846 C.3 1 UNL1111111111 -0.3526 9 C -2.9512 -0.8714 -0.3293 C.ar 1 UNL1111111111 0.3905 10 C 1.7251 0.3690 0.8496 C.3 1 UNL1111111111 -0.7246 11 C -3.2397 0.4851 -0.0890 C.ar 1 UNL1111111111 -0.2463 12 C -2.1716 1.4715 -0.0500 C.2 1 UNL1111111111 0.2117 13 C 3.1757 0.1368 0.5653 C.ar 1 UNL1111111111 0.3141 14 C -3.9587 -1.8165 -0.3615 C.ar 1 UNL1111111111 -0.4421 15 C -4.5819 0.8788 0.0862 C.ar 1 UNL1111111111 0.1610 16 C -5.2847 -1.3875 -0.1486 C.ar 1 UNL1111111111 0.2151 17 C -5.6257 -0.0583 0.0735 C.ar 1 UNL1111111111 -0.5209 18 C 3.8930 -0.8109 1.3051 C.ar 1 UNL1111111111 -0.2530 19 C 3.8153 0.8590 -0.4409 C.ar 1 UNL1111111111 -0.3304 20 C 5.2365 -1.0358 1.0468 C.ar 1 UNL1111111111 -0.3420 21 C 5.1648 0.6488 -0.7204 C.ar 1 UNL1111111111 -0.3873 22 C 5.8619 -0.2970 0.0294 C.ar 1 UNL1111111111 0.1966 23 C 7.9081 0.0880 -1.1109 C.3 1 UNL1111111111 -0.7918 24 H -0.8093 -0.4466 1.3515 H 1 UNL1111111111 0.1394 25 H -1.3219 -2.3022 -0.3194 H 1 UNL1111111111 0.2973 26 H -1.2940 -1.1416 -1.6520 H 1 UNL1111111111 0.2947 27 H 1.0467 -0.1998 -1.1380 H 1 UNL1111111111 0.1970 28 H 1.1531 -1.5563 -0.0055 H 1 UNL1111111111 0.2048 29 H 1.4885 0.1475 1.9092 H 1 UNL1111111111 0.2542 30 H 1.4612 1.4421 0.7168 H 1 UNL1111111111 0.2421 31 H -3.7626 -2.8681 -0.5438 H 1 UNL1111111111 0.2783 32 H -6.6470 0.2694 0.2263 H 1 UNL1111111111 0.2819 33 H 3.3930 -1.3750 2.0915 H 1 UNL1111111111 0.2407 34 H 3.2569 1.5983 -1.0158 H 1 UNL1111111111 0.2432 35 H 5.8103 -1.7647 1.6126 H 1 UNL1111111111 0.2573 36 H 5.6482 1.2180 -1.5058 H 1 UNL1111111111 0.2174 37 H -4.1278 2.7714 0.2151 H 1 UNL1111111111 0.3657 38 H -7.1289 -2.0357 -0.0305 H 1 UNL1111111111 0.3224 39 H 7.9271 1.1610 -0.8964 H 1 UNL1111111111 0.2473 40 H 7.5078 -0.1151 -2.1088 H 1 UNL1111111111 0.2479 41 H 8.9139 -0.3420 -1.0051 H 1 UNL1111111111 0.3044 @BOND 1 1 6 1 2 1 12 1 3 2 12 2 4 3 15 1 5 3 37 1 6 4 16 1 7 4 38 1 8 5 22 1 9 5 23 1 10 6 7 1 11 6 8 1 12 6 24 1 13 7 9 1 14 7 25 1 15 7 26 1 16 8 10 1 17 8 27 1 18 8 28 1 19 9 11 ar 20 9 14 ar 21 10 13 1 22 10 29 1 23 10 30 1 24 11 12 1 25 11 15 ar 26 13 18 ar 27 13 19 ar 28 14 16 ar 29 14 31 1 30 15 17 ar 31 16 17 ar 32 17 32 1 33 18 20 ar 34 18 33 1 35 19 21 ar 36 19 34 1 37 20 22 ar 38 20 35 1 39 21 22 ar 40 21 36 1 41 23 39 1 42 23 40 1 43 23 41 1