@MOLECULE n-benzyl-n,n-dimethyl-1-dodecanaminium 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N 3.5469 -0.2724 0.0049 N.ar 1 UNL1 -0.2095 2 C 2.2080 -0.2675 0.0154 C.1 1 UNL1 0.0909 3 C 0.9864 -0.2741 0.0217 C.1 1 UNL1 -0.0630 4 C 4.2707 0.9970 0.0028 C.ar 1 UNL1 -0.4456 5 C -0.3608 -0.2637 0.0278 C.1 1 UNL1 0.0221 6 C 3.8023 2.2481 0.0114 C.3 1 UNL1 0.5273 7 C 4.3472 -1.3793 -0.0059 C.ar 1 UNL1 0.2745 8 C -1.5873 -0.2431 0.0313 C.1 1 UNL1 -0.0173 9 C -2.9296 -0.2113 0.0338 C.1 1 UNL1 0.0021 10 C -4.1628 -0.1740 0.0358 C.1 1 UNL1 0.0082 11 C 5.6714 0.6277 -0.0082 C.ar 1 UNL1 0.0546 12 C -5.4928 -0.1246 0.0327 C.1 1 UNL1 -0.0295 13 C -6.7390 -0.0663 0.0227 C.1 1 UNL1 0.0845 14 C -8.0470 0.0023 0.0066 C.1 1 UNL1 -0.1944 15 C 5.7302 -0.8586 -0.0154 C.ar 1 UNL1 -0.2242 16 C 6.8684 1.2753 -0.0132 C.ar 1 UNL1 -0.0864 17 C -9.3132 0.0749 -0.0156 C.1 1 UNL1 0.3122 18 C -10.5995 0.1527 -0.0415 C.1 1 UNL1 -0.6180 19 C 6.9764 -1.3998 -0.0259 C.ar 1 UNL1 0.0722 20 C 8.0327 0.6459 -0.0227 C.ar 1 UNL1 0.0479 21 C 8.0898 -0.6780 -0.0294 C.ar 1 UNL1 -0.0327 22 C -11.8878 0.2339 -0.0697 C.1 1 UNL1 0.4242 @BOND 1 22 18 3 2 18 17 1 3 21 19 ar 4 21 20 ar 5 19 15 ar 6 20 16 ar 7 17 14 3 8 15 11 ar 9 15 7 ar 10 16 11 ar 11 11 4 ar 12 7 1 ar 13 4 1 ar 14 4 6 1 15 1 2 1 16 14 13 1 17 2 3 3 18 3 5 1 19 13 12 3 20 5 8 3 21 8 9 1 22 12 10 1 23 9 10 3