@MOLECULE 7-[2-(2-bromoethoxy)phenyl]-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6h-isoquinolino[3,2-a]isoquinolinium 36 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 BR -3.2771 3.3316 -1.0133 Br 1 UNL1 0.1159 2 O -0.1108 2.1756 1.6176 O.2 1 UNL1 -0.1323 3 O 5.5838 0.9232 -0.0281 O.2 1 UNL1 -0.4141 4 O -5.2000 -0.5130 -2.1383 O.2 1 UNL1 -0.4506 5 O -6.4796 -2.5396 1.0254 O.2 2 UNL2 -0.4640 6 O 6.3332 -0.9029 -1.1872 O.3 1 UNL1 -0.3883 7 N 1.4073 -0.0180 1.1928 N.pl3 1 UNL1 -0.2146 8 C -0.0047 -3.2235 -0.1533 C.1 1 UNL1 0.0247 9 C 0.0624 -0.2755 1.2896 C.2 1 UNL1 0.1033 10 C 1.9540 -1.2468 1.0620 C.3 1 UNL1 0.1759 11 C 1.1934 -3.1995 -0.3917 C.1 1 UNL1 -0.0759 12 C -1.3667 -3.1389 0.1468 C.3 1 UNL1 0.0476 13 C -0.9496 -0.9445 1.1425 C.1 1 UNL1 -0.0559 14 C 1.9583 1.2607 0.9587 C.2 1 UNL1 0.1452 15 C 2.9526 -1.6248 0.1003 C.ar 1 UNL1 -0.1012 16 C -1.9007 -1.9093 0.8283 C.2 1 UNL1 0.1377 17 C 2.5354 -2.8453 -0.5570 C.ar 1 UNL1 0.1044 18 C -2.3491 -4.0575 -0.1185 C.2 1 UNL1 -0.0486 19 C 1.1969 2.3983 1.1594 C.2 1 UNL1 -0.1372 20 C 4.1496 -0.9412 -0.1705 C.ar 1 UNL1 -0.2531 21 C 3.4190 1.3691 0.6196 C.2 1 UNL1 -0.1718 22 C -3.2533 -1.9371 1.0376 C.2 1 UNL1 -0.1286 23 C 3.6098 -3.2713 -1.2946 C.ar 1 UNL1 0.0776 24 C -3.6023 -3.9803 0.1278 C.2 1 UNL1 -0.0145 25 C -4.0627 -2.8798 0.7275 C.2 1 UNL1 0.1106 26 C 5.1694 -1.5445 -0.9764 C.ar 1 UNL1 0.3246 27 C 4.7408 -2.7382 -1.4767 C.ar 1 UNL1 -0.1401 28 C 1.5766 3.8516 1.1309 C.3 1 UNL1 0.2611 29 C 3.7133 2.7426 0.6886 C.2 1 UNL1 -0.0315 30 C 2.9545 3.7066 0.8757 C.2 1 UNL1 -0.1769 31 C -1.0134 2.5818 0.7587 C.1 1 UNL1 0.1094 32 C 4.3250 0.4390 0.2012 C.2 1 UNL1 0.3738 33 C -4.0670 -0.4509 -2.0244 C.2 1 UNL1 0.4503 34 C -7.5795 -2.3378 1.2523 C.2 2 UNL2 0.4705 35 C 6.5580 0.3087 -0.6740 C.3 1 UNL1 0.6042 36 C -1.9287 2.8866 0.0261 C.1 1 UNL1 -0.2377 @BOND 1 4 33 2 2 27 23 ar 3 27 26 ar 4 23 17 ar 5 6 26 1 6 6 35 1 7 1 36 1 8 26 20 ar 9 35 3 1 10 17 11 1 11 17 15 ar 12 11 8 3 13 20 15 ar 14 20 32 1 15 8 12 1 16 18 24 2 17 18 12 1 18 3 32 1 19 36 31 3 20 15 10 1 21 24 25 1 22 12 16 1 23 32 21 2 24 21 29 1 25 21 14 1 26 29 30 2 27 25 22 2 28 31 2 1 29 16 22 1 30 16 13 2 31 30 28 1 32 14 19 2 33 14 7 1 34 5 34 2 35 10 7 1 36 28 19 1 37 13 9 2 38 19 2 1 39 7 9 1