@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 0.9108 1.0976 -0.1181 O.3 1 UNL111111111 -0.4334 2 O 2.3837 2.6921 -0.2231 O.2 1 UNL111111111 -0.4212 3 O 4.8595 2.0776 0.4533 O.3 1 UNL111111111 -0.3998 4 O 6.2376 -2.3936 -0.1008 O.3 1 UNL111111111 -0.4597 5 O -7.1180 -0.1628 -0.6441 O.3 1 UNL111111111 -0.3184 6 C 0.6147 -0.2474 0.2383 C.3 1 UNL111111111 0.1454 7 C 1.4924 -1.2105 -0.5744 C.3 1 UNL111111111 -0.3746 8 C -0.8703 -0.4077 -0.0926 C.3 1 UNL111111111 -0.2927 9 C 2.9254 -0.8752 -0.3286 C.ar 1 UNL111111111 0.2161 10 C -1.7283 0.4696 0.8319 C.3 1 UNL111111111 -0.2663 11 C 3.2545 0.4650 -0.0755 C.ar 1 UNL111111111 -0.3794 12 C 2.2239 1.5050 -0.1280 C.2 1 UNL111111111 0.6265 13 C -3.1740 0.2867 0.4903 C.ar 1 UNL111111111 -0.0610 14 C 3.9018 -1.8639 -0.3501 C.ar 1 UNL111111111 -0.4381 15 C 4.5992 0.7881 0.1836 C.ar 1 UNL111111111 0.4173 16 C 5.2316 -1.4931 -0.0992 C.ar 1 UNL111111111 0.4136 17 C 5.6082 -0.1799 0.1759 C.ar 1 UNL111111111 -0.4558 18 C -3.7444 1.0425 -0.5425 C.ar 1 UNL111111111 -0.1027 19 C -3.9502 -0.6455 1.1752 C.ar 1 UNL111111111 -0.1098 20 C -5.0728 0.8650 -0.8937 C.ar 1 UNL111111111 -0.2424 21 C -5.2904 -0.8410 0.8407 C.ar 1 UNL111111111 -0.2938 22 C -5.8360 -0.0844 -0.1938 C.ar 1 UNL111111111 0.2378 23 C -7.9843 -1.0720 0.0186 C.3 1 UNL111111111 -0.2025 24 H 0.8129 -0.3481 1.3295 H 1 UNL111111111 0.1315 25 H 1.2680 -1.1114 -1.6609 H 1 UNL111111111 0.1862 26 H 1.2564 -2.2606 -0.3171 H 1 UNL111111111 0.1684 27 H -1.1703 -1.4674 -0.0003 H 1 UNL111111111 0.1463 28 H -1.0555 -0.1224 -1.1484 H 1 UNL111111111 0.1634 29 H -1.4242 1.5352 0.7212 H 1 UNL111111111 0.1725 30 H -1.5329 0.2246 1.8934 H 1 UNL111111111 0.1432 31 H 3.6442 -2.8954 -0.5537 H 1 UNL111111111 0.1717 32 H 6.6460 0.0634 0.3711 H 1 UNL111111111 0.1920 33 H -3.1352 1.7755 -1.0736 H 1 UNL111111111 0.1611 34 H -3.5117 -1.2315 1.9816 H 1 UNL111111111 0.1473 35 H -5.5316 1.4421 -1.6922 H 1 UNL111111111 0.1720 36 H -5.8811 -1.5693 1.3833 H 1 UNL111111111 0.1588 37 H 5.8286 2.2451 0.6082 H 1 UNL111111111 0.3274 38 H 5.9298 -3.3120 -0.3049 H 1 UNL111111111 0.3340 39 H -8.1018 -0.8034 1.0730 H 1 UNL111111111 0.1341 40 H -7.6328 -2.1018 -0.0961 H 1 UNL111111111 0.1321 41 H -8.9299 -0.9268 -0.5221 H 1 UNL111111111 0.1530 @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