@MOLECULE 1-(2-{(3s)-3-(3,4-dichlorophenyl)-1-[(3-isopropoxyphenyl)acetyl]-3-piperidinyl}ethyl)-4-phenyl-1-azoniabicyclo[2.2.2]octane 43 49 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL 0.1229 2.9304 -3.2099 Cl 1 UNL1 0.0510 2 CL 3.3005 3.3293 -2.0572 Cl 1 UNL1 0.0490 3 O 4.8814 -3.2822 2.1167 O.2 1 UNL1 -0.3004 4 O 7.3665 1.5339 2.2177 O.2 1 UNL1 -0.0922 5 N -4.3253 -1.5810 -2.1558 N.pl3 1 UNL1 0.4440 6 N 2.9366 -3.1601 0.6735 N.am 1 UNL1 -0.6310 7 C -7.0348 -1.1853 0.6170 C.2 1 UNL1 0.3249 8 C -7.5141 -3.8058 0.6414 C.2 1 UNL1 0.5498 9 C -4.5712 -1.4186 -3.4407 C.1 1 UNL1 -0.7570 10 C -5.2286 -1.6709 -1.2522 C.3 1 UNL1 -0.1351 11 C -7.0443 -2.6116 0.3891 C.2 1 UNL1 -0.6822 12 C -4.8151 -1.2627 -4.6665 C.1 1 UNL1 0.2844 13 C -6.1479 -1.7444 -0.3610 C.2 1 UNL1 0.0942 14 C -3.0149 -1.6403 -1.7364 C.1 1 UNL1 -0.1371 15 C -1.8528 -1.6720 -1.3829 C.1 1 UNL1 0.1194 16 C -7.5201 -0.1851 1.2801 C.1 1 UNL1 -0.3405 17 C -0.5254 -1.6802 -0.9474 C.2 1 UNL1 -0.1316 18 C 0.0330 -2.7686 -0.2647 C.1 1 UNL1 0.0725 19 C 2.9125 -2.0758 -0.2230 C.3 1 UNL1 0.3553 20 C -9.8615 4.8127 4.5137 C.1 1 UNL1 0.4339 21 C -7.9884 0.8073 1.9246 C.1 1 UNL1 0.4121 22 C 0.3025 -0.6321 -1.1769 C.2 1 UNL1 0.2421 23 C 0.7811 -3.5459 0.3058 C.1 1 UNL1 -0.2971 24 C 1.9335 -4.0889 0.9574 C.3 1 UNL1 0.3842 25 C -9.3948 3.8071 3.8680 C.1 1 UNL1 -0.7714 26 C -8.4607 1.8065 2.5751 C.1 1 UNL1 -0.5043 27 C 0.5564 0.6319 -1.7615 C.3 1 UNL1 -0.0681 28 C 1.5614 0.0216 -0.9968 C.3 1 UNL1 -0.0709 29 C -8.9271 2.8030 3.2190 C.1 1 UNL1 0.5509 30 C 4.1931 -2.7201 1.3487 C.2 1 UNL1 0.5919 31 C 1.0007 1.8859 -2.2612 C.3 1 UNL1 -0.0141 32 C 2.7216 0.8663 -0.9508 C.2 1 UNL1 0.0119 33 C 4.0658 -1.4439 0.5388 C.3 1 UNL1 -0.3490 34 C 2.2846 2.0390 -1.7938 C.2 1 UNL1 -0.0394 35 C 4.5445 -0.2026 0.5860 C.ar 1 UNL1 0.1443 36 C 5.6459 0.1787 1.4541 C.ar 1 UNL1 -0.3659 37 C 3.9285 0.8422 -0.3448 C.ar 1 UNL1 0.1526 38 C 6.3672 1.3914 1.3335 C.ar 1 UNL1 0.3098 39 C 4.8504 1.9134 -0.3505 C.ar 1 UNL1 -0.0073 40 C 5.8434 2.2110 0.3295 C.ar 1 UNL1 -0.0904 41 C 7.2968 0.3346 2.9829 C.ar 1 UNL1 -0.5553 42 C 8.0521 -0.0641 4.0044 C.3 1 UNL1 0.6156 43 C 6.2263 -0.5529 2.5437 C.ar 1 UNL1 0.1467 @BOND 1 12 9 3 2 9 5 1 3 1 31 1 4 31 34 1 5 31 27 1 6 5 14 1 7 5 10 1 8 2 34 1 9 34 32 2 10 27 22 1 11 27 28 1 12 14 15 3 13 15 17 1 14 10 13 1 15 22 28 1 16 22 17 2 17 28 32 1 18 32 37 1 19 17 18 1 20 13 11 1 21 13 7 2 22 39 37 ar 23 39 40 ar 24 37 35 ar 25 18 23 3 26 19 33 1 27 19 6 1 28 23 24 1 29 40 38 ar 30 11 7 1 31 11 8 2 32 33 35 1 33 33 30 1 34 35 36 ar 35 7 16 1 36 6 24 1 37 6 30 am 38 16 21 3 39 38 36 ar 40 38 4 ar 41 30 3 2 42 36 43 ar 43 21 26 1 44 4 41 ar 45 43 41 ar 46 26 29 3 47 41 42 1 48 29 25 1 49 25 20 3