@MOLECULE n-{2-[(diethoxyphosphoryl)sulfanyl]ethyl}-n,n-dimethylanilinium 20 21 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.1900 0.9312 -1.0680 S.3 1 UNL1 0.3805 2 P -2.3934 -0.1014 0.3240 P.3 1 UNL1 0.2640 3 O -3.5236 0.9907 0.7920 O.2 1 UNL1 -0.2134 4 O -3.3415 -1.0380 -0.6348 O.2 1 UNL1 -0.2296 5 O -1.7864 -0.8241 1.4316 O.2 1 UNL1 -0.2535 6 N 2.6845 0.1174 0.3993 N.pl3 1 UNL1 -0.1194 7 C 1.4719 0.3921 -0.1233 C.1 1 UNL1 0.0686 8 C 3.6715 1.0511 0.2901 C.3 1 UNL1 0.0665 9 C 3.1832 -1.2470 0.1632 C.2 1 UNL1 -0.3422 10 C 2.4482 -2.3604 0.3326 C.3 1 UNL1 0.5434 11 C 0.3370 0.6154 -0.5118 C.1 1 UNL1 -0.2257 12 C 4.7535 1.6436 0.2398 C.2 1 UNL1 -0.0636 13 C 4.5612 -1.3651 -0.1053 C.1 1 UNL1 -0.0976 14 C 6.0398 1.2678 -0.0209 C.2 1 UNL1 0.0454 15 C 5.7407 -1.0361 -0.2507 C.2 1 UNL1 0.0256 16 C 6.4759 0.1132 -0.2067 C.3 1 UNL1 -0.0413 17 C -4.7858 0.5685 0.3288 C.2 1 UNL1 -0.2477 18 C -4.6865 -0.6811 -0.4247 C.2 1 UNL1 -0.2436 19 C -5.8383 1.3313 0.6161 C.2 1 UNL1 0.3425 20 C -5.6300 -1.4937 -0.8944 C.2 1 UNL1 0.3414 @BOND 1 1 11 1 2 1 2 1 3 20 18 2 4 4 18 1 5 4 2 1 6 11 7 3 7 18 17 1 8 15 16 1 9 15 13 2 10 16 14 1 11 7 6 1 12 13 9 2 13 14 12 2 14 9 10 1 15 9 6 1 16 12 8 1 17 8 6 1 18 2 3 1 19 2 5 2 20 17 19 2 21 17 3 1