@MOLECULE 3,4-dihydro-2(1h)-isoquinolinyl(2,4-dihydroxy-5-isopropylphenyl)methanone 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.8025 1.3905 -1.4745 C.ar 1 UNL111111111 -0.3783 2 C 3.4360 0.2372 -1.0270 C.ar 1 UNL111111111 0.3650 3 C 2.9354 -0.5418 0.0405 C.ar 1 UNL111111111 -0.2510 4 C 1.7435 -0.1459 0.6260 C.ar 1 UNL111111111 0.0212 5 C 1.0361 0.9746 0.1734 C.ar 1 UNL111111111 -0.3861 6 C 1.6134 1.7703 -0.8405 C.ar 1 UNL111111111 0.4221 7 C -0.2480 1.3836 0.7540 C.2 1 UNL111111111 0.6291 8 N -1.0559 0.4346 1.4011 N.am 1 UNL111111111 -0.4728 9 O -0.5975 2.5606 0.7594 O.2 1 UNL111111111 -0.5878 10 O 1.0704 2.9201 -1.2565 O.3 1 UNL111111111 -0.4611 11 O 4.5772 -0.0718 -1.6810 O.3 1 UNL111111111 -0.4621 12 C 3.6719 -1.7557 0.5282 C.3 1 UNL111111111 -0.0323 13 C 4.0730 -1.5859 1.9999 C.3 1 UNL111111111 -0.4506 14 C 2.8107 -3.0134 0.3426 C.3 1 UNL111111111 -0.4489 15 C -2.2729 0.9646 2.0442 C.3 1 UNL111111111 -0.0673 16 C -3.3904 1.2135 1.0169 C.3 1 UNL111111111 -0.3254 17 C -3.5867 0.0294 0.1267 C.ar 1 UNL111111111 0.0189 18 C -2.5906 -0.9400 -0.0139 C.ar 1 UNL111111111 -0.0660 19 C -1.2918 -0.8652 0.7496 C.3 1 UNL111111111 -0.0857 20 C -4.7770 -0.0954 -0.5954 C.ar 1 UNL111111111 -0.1780 21 C -4.9736 -1.1805 -1.4435 C.ar 1 UNL111111111 -0.1364 22 C -3.9794 -2.1492 -1.5793 C.ar 1 UNL111111111 -0.1561 23 C -2.7906 -2.0275 -0.8666 C.ar 1 UNL111111111 -0.1599 24 H 3.2210 1.9916 -2.2779 H 1 UNL111111111 0.2041 25 H 1.3473 -0.7151 1.4739 H 1 UNL111111111 0.1631 26 H 0.2955 3.1910 -0.6531 H 1 UNL111111111 0.3799 27 H 5.0118 -0.8933 -1.3221 H 1 UNL111111111 0.3298 28 H 4.6154 -1.8986 -0.0660 H 1 UNL111111111 0.1102 29 H 3.1963 -1.5216 2.6545 H 1 UNL111111111 0.1519 30 H 4.6802 -2.4277 2.3476 H 1 UNL111111111 0.1417 31 H 4.6548 -0.6684 2.1487 H 1 UNL111111111 0.1519 32 H 1.9165 -2.9872 0.9748 H 1 UNL111111111 0.1497 33 H 2.4763 -3.1148 -0.6964 H 1 UNL111111111 0.1499 34 H 3.3682 -3.9186 0.6040 H 1 UNL111111111 0.1407 35 H -2.5997 0.2280 2.8112 H 1 UNL111111111 0.1423 36 H -2.0207 1.9098 2.5792 H 1 UNL111111111 0.1655 37 H -4.3279 1.4848 1.5401 H 1 UNL111111111 0.1566 38 H -3.1256 2.1022 0.3960 H 1 UNL111111111 0.1831 39 H -0.4453 -1.1136 0.0651 H 1 UNL111111111 0.1632 40 H -1.2927 -1.6441 1.5536 H 1 UNL111111111 0.1574 41 H -5.5526 0.6617 -0.4951 H 1 UNL111111111 0.1554 42 H -5.9027 -1.2727 -2.0029 H 1 UNL111111111 0.1512 43 H -4.1317 -2.9965 -2.2443 H 1 UNL111111111 0.1513 44 H -2.0146 -2.7824 -0.9788 H 1 UNL111111111 0.1508 @BOND 1 1 6 ar 2 1 24 1 3 2 1 ar 4 2 3 ar 5 3 4 ar 6 4 5 ar 7 4 25 1 8 5 7 1 9 6 10 1 10 6 5 ar 11 7 8 am 12 7 9 2 13 8 15 1 14 10 26 1 15 11 2 1 16 11 27 1 17 12 3 1 18 12 14 1 19 12 13 1 20 12 28 1 21 13 29 1 22 13 30 1 23 13 31 1 24 14 32 1 25 14 33 1 26 14 34 1 27 15 16 1 28 15 35 1 29 15 36 1 30 16 37 1 31 16 38 1 32 17 20 ar 33 17 16 1 34 18 17 ar 35 19 18 1 36 19 8 1 37 19 39 1 38 19 40 1 39 20 41 1 40 21 20 ar 41 21 42 1 42 22 21 ar 43 22 43 1 44 23 22 ar 45 23 18 ar 46 23 44 1