@MOLECULE 1-(4-hydroxybenzyl)-6-methoxy-7-isoquinolinol 36 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2859 -0.3612 0.0401 O.3 1 UNL1111111111 -0.3361 2 O -3.7341 -2.5447 -0.0208 O.3 1 UNL1111111111 -0.4440 3 O 6.6191 0.2247 -0.0615 O.3 1 UNL1111111111 -0.4833 4 N 0.8794 1.3309 0.0018 N.ar 1 UNL1111111111 -0.3933 5 C -1.1476 0.0086 -0.0027 C.ar 1 UNL1111111111 -0.1198 6 C 0.2825 0.1473 -0.0075 C.ar 1 UNL1111111111 0.2250 7 C 1.1545 -1.0819 -0.0234 C.3 1 UNL1111111111 -0.2862 8 C -1.9201 1.1915 0.0155 C.ar 1 UNL1111111111 0.0654 9 C 2.6185 -0.7560 -0.0098 C.ar 1 UNL1111111111 -0.0296 10 C -1.7963 -1.2543 -0.0152 C.ar 1 UNL1111111111 -0.2028 11 C -3.3430 1.1155 0.0255 C.ar 1 UNL1111111111 -0.2870 12 C -1.2561 2.4448 0.0245 C.ar 1 UNL1111111111 -0.2643 13 C -3.9509 -0.1098 0.0175 C.ar 1 UNL1111111111 0.1667 14 C -3.1654 -1.3123 -0.0059 C.ar 1 UNL1111111111 0.1961 15 C 0.1210 2.4675 0.0177 C.ar 1 UNL1111111111 0.0581 16 C 3.2943 -0.6326 1.2048 C.ar 1 UNL1111111111 -0.0826 17 C 3.2959 -0.5458 -1.2165 C.ar 1 UNL1111111111 -0.0879 18 C 4.6489 -0.3072 1.2290 C.ar 1 UNL1111111111 -0.3033 19 C 4.6459 -0.2198 -1.2186 C.ar 1 UNL1111111111 -0.2403 20 C 5.2991 -0.1020 0.0124 C.ar 1 UNL1111111111 0.2824 21 C -6.1521 0.7637 -0.0450 C.3 1 UNL1111111111 -0.1846 22 H 0.9050 -1.6921 -0.9222 H 1 UNL1111111111 0.1688 23 H 0.8947 -1.7223 0.8509 H 1 UNL1111111111 0.1678 24 H -1.2179 -2.1773 -0.0337 H 1 UNL1111111111 0.1834 25 H -3.9102 2.0415 0.0420 H 1 UNL1111111111 0.1730 26 H -1.8353 3.3618 0.0371 H 1 UNL1111111111 0.1652 27 H 0.6999 3.3973 0.0242 H 1 UNL1111111111 0.1694 28 H 2.7595 -0.7765 2.1426 H 1 UNL1111111111 0.1507 29 H 2.7575 -0.6221 -2.1605 H 1 UNL1111111111 0.1529 30 H 5.1756 -0.2059 2.1699 H 1 UNL1111111111 0.1557 31 H 5.1913 -0.0461 -2.1413 H 1 UNL1111111111 0.1711 32 H -4.7240 -2.4850 -0.0312 H 1 UNL1111111111 0.3374 33 H -7.1436 0.2903 -0.0539 H 1 UNL1111111111 0.1534 34 H -5.9806 1.3195 -0.9726 H 1 UNL1111111111 0.1393 35 H -6.0386 1.4049 0.8354 H 1 UNL1111111111 0.1390 36 H 7.0281 0.3207 0.8298 H 1 UNL1111111111 0.3242 @BOND 1 1 13 1 2 1 21 1 3 2 14 1 4 2 32 1 5 3 20 1 6 3 36 1 7 4 6 ar 8 4 15 ar 9 5 6 ar 10 5 8 ar 11 5 10 ar 12 6 7 1 13 7 9 1 14 7 22 1 15 7 23 1 16 8 11 ar 17 8 12 ar 18 9 16 ar 19 9 17 ar 20 10 14 ar 21 10 24 1 22 11 13 ar 23 11 25 1 24 12 15 ar 25 12 26 1 26 13 14 ar 27 15 27 1 28 16 18 ar 29 16 28 1 30 17 19 ar 31 17 29 1 32 18 20 ar 33 18 30 1 34 19 20 ar 35 19 31 1 36 21 33 1 37 21 34 1 38 21 35 1