@MOLECULE 3-{4-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl]phenoxy}-5',6'-dimethoxy-1'-methyl-2',3',8',8a'-tetrahydro-1'h,4h-spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one 46 50 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7165 -0.3718 0.3154 O.3 1 UNL1 -0.1338 2 O 2.3797 -1.1762 2.6477 O.2 1 UNL1 -0.5102 3 O 1.7506 3.2558 -0.2987 O.3 1 UNL1 -0.1763 4 O 1.7759 3.0654 2.3938 O.2 1 UNL1 -0.2700 5 O -8.4239 1.7419 -1.4189 O.2 2 UNL2 -0.5395 6 O -9.9320 -0.4740 -0.9125 O.2 3 UNL3 -0.4998 7 N 7.6239 -0.8603 -1.6284 N.ar 1 UNL1 -0.1988 8 N -1.4903 -2.2860 1.5145 N.1 1 UNL1 -0.4014 9 C 6.3838 -0.3288 -1.0508 C.ar 1 UNL1 -0.3404 10 C 4.7465 0.9879 -0.0641 C.3 1 UNL1 -0.2333 11 C 6.1545 0.9929 -0.6764 C.2 1 UNL1 0.0915 12 C 5.2372 -1.1847 -0.8159 C.ar 1 UNL1 0.1790 13 C 4.1722 -0.4042 -0.2773 C.ar 1 UNL1 -0.2773 14 C 5.1330 -2.6240 -1.1041 C.ar 1 UNL1 -0.1298 15 C 7.3745 -2.1996 -1.8355 C.ar 1 UNL1 -0.1938 16 C 6.3885 -2.9262 -1.6331 C.ar 1 UNL1 0.1948 17 C 3.6750 1.8800 -0.7246 C.3 1 UNL1 0.4109 18 C 4.7037 1.3673 1.3140 C.2 1 UNL1 0.1138 19 C 2.9007 -0.9530 -0.0374 C.ar 1 UNL1 0.3441 20 C 3.8721 -3.0085 -0.7582 C.ar 1 UNL1 0.1272 21 C 8.6738 -0.1567 -1.8513 C.3 1 UNL1 0.6525 22 C 2.9287 -2.3030 -0.3080 C.ar 1 UNL1 -0.1555 23 C 2.4710 2.0987 0.1770 C.3 1 UNL1 -0.2486 24 C 3.9127 1.9407 2.0612 C.2 1 UNL1 -0.2751 25 C 2.6498 2.4954 1.8471 C.2 1 UNL1 0.5328 26 C 1.5106 0.9437 0.1407 C.3 1 UNL1 0.2617 27 C -4.4718 0.2922 -0.2717 C.1 1 UNL1 -0.1367 28 C 0.4498 2.9121 -0.3370 C.ar 1 UNL1 0.3543 29 C -5.5503 -0.5779 -0.1329 C.ar 1 UNL1 0.1838 30 C -3.4529 0.9538 -0.3458 C.1 1 UNL1 0.0733 31 C 1.4768 -1.5720 3.2310 C.2 1 UNL1 0.4981 32 C -2.7558 -2.2420 1.1703 C.1 1 UNL1 0.1409 33 C -3.9289 -2.1518 0.8507 C.1 1 UNL1 -0.1031 34 C -5.2412 -1.9069 0.4589 C.ar 1 UNL1 0.0244 35 C -2.2082 1.5726 -0.3692 C.ar 1 UNL1 -0.1516 36 C -0.7175 3.4937 -0.6037 C.ar 1 UNL1 -0.3882 37 C 0.2459 1.4132 -0.0655 C.ar 1 UNL1 -0.2433 38 C -0.3418 -2.2104 1.7947 C.1 1 UNL1 0.3189 39 C -6.8692 -0.3680 -0.4761 C.ar 1 UNL1 -0.2701 40 C -1.8386 2.8764 -0.6077 C.ar 1 UNL1 0.2429 41 C -1.0398 0.8476 -0.0860 C.ar 1 UNL1 -0.0271 42 C -6.3486 -2.7079 0.5459 C.ar 1 UNL1 0.0104 43 C -7.7878 -1.2562 -0.3159 C.ar 1 UNL1 0.1950 44 C -7.5577 -2.4602 0.2051 C.ar 1 UNL1 -0.0709 45 C -7.2914 1.6705 -1.2323 C.2 2 UNL2 0.5152 46 C -10.5148 0.4254 -1.3156 C.2 3 UNL3 0.5091 @BOND 1 21 7 1 2 15 16 ar 3 15 7 ar 4 16 14 ar 5 7 9 ar 6 5 45 2 7 46 6 2 8 14 12 ar 9 14 20 ar 10 9 12 ar 11 9 11 2 12 12 13 ar 13 20 22 ar 14 17 10 1 15 17 23 1 16 11 10 1 17 40 36 ar 18 40 35 ar 19 36 28 ar 20 39 43 ar 21 39 29 ar 22 35 30 1 23 35 41 ar 24 30 27 3 25 28 3 1 26 28 37 ar 27 43 44 ar 28 22 19 ar 29 3 23 1 30 13 10 1 31 13 19 ar 32 27 29 1 33 29 34 ar 34 41 37 ar 35 37 26 1 36 10 18 1 37 19 1 1 38 26 23 1 39 26 1 1 40 23 25 1 41 44 42 ar 42 34 42 ar 43 34 33 1 44 33 32 3 45 32 8 1 46 18 24 2 47 8 38 3 48 25 24 1 49 25 4 2 50 2 31 2