@MOLECULE 10-hydroxy-2,3,9-trimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolinium 45 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.6638 0.1601 -0.1509 O.3 1 UNL1111 -0.3169 2 O -4.2560 -2.1836 0.5755 O.3 1 UNL1111 -0.2978 3 O 4.6735 1.3933 0.2813 O.3 1 UNL1111 -0.2987 4 O 6.2523 -0.9589 -0.1976 O.3 1 UNL1111 -0.4810 5 N 0.6243 1.2163 0.3852 N.ar 1 UNL1111 -0.2869 6 C -0.1364 2.4701 0.4728 C.3 1 UNL1111 -0.0666 7 C -1.2996 2.4795 -0.5372 C.3 1 UNL1111 -0.3048 8 C -0.0449 0.0242 0.0767 C.ar 1 UNL1111 0.1804 9 C -2.1503 1.2751 -0.2937 C.ar 1 UNL1111 0.0150 10 C -1.5127 0.0745 0.0428 C.ar 1 UNL1111 -0.0623 11 C 2.0056 1.2736 0.3259 C.ar 1 UNL1111 -0.1252 12 C 0.6603 -1.1161 -0.1825 C.ar 1 UNL1111 -0.2353 13 C 2.7542 0.1177 0.0671 C.ar 1 UNL1111 -0.0086 14 C 2.0949 -1.1197 -0.1869 C.ar 1 UNL1111 -0.0347 15 C -3.5397 1.3406 -0.3786 C.ar 1 UNL1111 -0.2649 16 C -2.2766 -1.0584 0.3271 C.ar 1 UNL1111 -0.1796 17 C -4.3024 0.2083 -0.1083 C.ar 1 UNL1111 0.1385 18 C -3.6694 -1.0012 0.2493 C.ar 1 UNL1111 0.1447 19 C 4.1817 0.1504 0.0487 C.ar 1 UNL1111 0.0987 20 C 2.8377 -2.2812 -0.4369 C.ar 1 UNL1111 -0.1395 21 C 4.8877 -1.0276 -0.1991 C.ar 1 UNL1111 0.1560 22 C 4.2269 -2.2427 -0.4413 C.ar 1 UNL1111 -0.2579 23 C -6.3396 1.3585 -0.5060 C.3 1 UNL1111 -0.2029 24 C -5.6517 -2.3201 0.3498 C.3 1 UNL1111 -0.1962 25 C 6.0872 1.5409 0.3184 C.3 1 UNL1111 -0.1895 26 H 0.5330 3.3403 0.2989 H 1 UNL1111 0.1459 27 H -0.5335 2.5621 1.5130 H 1 UNL1111 0.1531 28 H -0.9090 2.4625 -1.5783 H 1 UNL1111 0.1709 29 H -1.8721 3.4211 -0.4449 H 1 UNL1111 0.1539 30 H 2.4812 2.2308 0.5142 H 1 UNL1111 0.1742 31 H 0.1484 -2.0486 -0.4078 H 1 UNL1111 0.1696 32 H -4.0143 2.2789 -0.6500 H 1 UNL1111 0.1646 33 H -1.8023 -1.9968 0.6209 H 1 UNL1111 0.1855 34 H 2.3198 -3.2184 -0.6276 H 1 UNL1111 0.1546 35 H 4.8015 -3.1420 -0.6315 H 1 UNL1111 0.1527 36 H 6.6527 -1.8420 -0.3782 H 1 UNL1111 0.3217 37 H -6.0694 1.6768 -1.5176 H 1 UNL1111 0.1353 38 H -6.1509 2.1472 0.2289 H 1 UNL1111 0.1352 39 H -7.3924 1.0469 -0.4709 H 1 UNL1111 0.1511 40 H -5.8152 -3.3849 0.5636 H 1 UNL1111 0.1462 41 H -5.9158 -2.0907 -0.6869 H 1 UNL1111 0.1393 42 H -6.2146 -1.6947 1.0512 H 1 UNL1111 0.1408 43 H 6.5189 0.9418 1.1269 H 1 UNL1111 0.1420 44 H 6.2019 2.6126 0.5209 H 1 UNL1111 0.1371 45 H 6.5322 1.2763 -0.6463 H 1 UNL1111 0.1424 @BOND 1 1 17 1 2 1 23 1 3 2 18 1 4 2 24 1 5 3 19 1 6 3 25 1 7 4 21 1 8 4 36 1 9 5 6 1 10 5 8 ar 11 5 11 ar 12 6 7 1 13 6 26 1 14 6 27 1 15 7 9 1 16 7 28 1 17 7 29 1 18 8 10 1 19 8 12 ar 20 9 10 ar 21 9 15 ar 22 10 16 ar 23 11 13 ar 24 11 30 1 25 12 14 ar 26 12 31 1 27 13 14 ar 28 13 19 ar 29 14 20 ar 30 15 17 ar 31 15 32 1 32 16 18 ar 33 16 33 1 34 17 18 ar 35 19 21 ar 36 20 22 ar 37 20 34 1 38 21 22 ar 39 22 35 1 40 23 37 1 41 23 38 1 42 23 39 1 43 24 40 1 44 24 41 1 45 24 42 1 46 25 43 1 47 25 44 1 48 25 45 1