@MOLECULE [4-(acetoxymethyl)phenyl]-n,n,n-trimethylmethanaminium 16 16 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.5878 -2.2499 0.1427 O.2 1 UNL1 -0.3899 2 O 5.7671 1.0418 -0.3252 O.3 1 UNL1 -0.1715 3 N -4.7581 -0.1108 -0.1478 N.3 1 UNL1 -0.4168 4 C -2.1975 0.4023 0.0601 C.3 1 UNL1 0.0515 5 C -3.4994 0.3849 -0.0074 C.3 1 UNL1 -0.0057 6 C -5.4016 -0.5736 0.9673 C.3 1 UNL1 0.2262 7 C -5.3355 -0.0673 -1.3869 C.3 1 UNL1 0.2258 8 C -1.2978 1.5120 0.2840 C.2 1 UNL1 0.0563 9 C -1.2179 -0.6366 -0.0611 C.2 1 UNL1 -0.1215 10 C -0.0637 1.7118 0.3735 C.2 1 UNL1 -0.1064 11 C 1.2818 -0.2922 0.1140 C.2 1 UNL1 -0.1087 12 C -0.0048 -0.8709 -0.0400 C.2 1 UNL1 0.0213 13 C 1.1068 1.0376 0.3183 C.2 1 UNL1 0.1078 14 C 2.5574 -1.0409 0.0683 C.2 1 UNL1 0.5289 15 C 4.7853 0.4212 -0.2040 C.1 1 UNL1 0.4331 16 C 3.7062 -0.2497 -0.0705 C.1 1 UNL1 -0.3304 @BOND 1 7 3 1 2 2 15 1 3 15 16 3 4 3 5 1 5 3 6 1 6 16 14 1 7 9 12 2 8 9 4 1 9 12 11 1 10 5 4 1 11 4 8 1 12 14 11 1 13 14 1 2 14 11 13 2 15 8 10 2 16 13 10 1