@MOLECULE n,n,n-trimethyl-2-(propionylsulfanyl)ethanaminium 11 8 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -0.2261 2.0699 1.0602 S.3 1 UNL1 -0.0159 2 O 3.4522 -0.0268 -0.0430 O.3 2 UNL2 -0.2648 3 N -2.8272 -1.1110 0.1061 N.1 1 UNL1 -0.6249 4 C -0.1226 1.0446 -1.5339 C.1 1 UNL1 -0.7834 5 C -0.0654 0.5945 -2.7384 C.1 1 UNL1 0.4675 6 C -3.2554 -0.3780 1.0275 C.1 1 UNL1 0.3093 7 C -2.3945 -1.8449 -0.8142 C.3 1 UNL1 0.3153 8 C -0.1693 1.5203 -0.3429 C.1 1 UNL1 0.3323 9 C 2.6540 -0.8228 0.2141 C.1 2 UNL2 0.6708 10 C 1.7639 -1.7089 0.5028 C.1 2 UNL2 -0.8763 11 C 0.8913 -2.5987 0.7884 C.3 2 UNL2 0.4702 @BOND 1 5 4 3 2 4 8 1 3 7 3 1 4 8 1 3 5 2 9 1 6 3 6 3 7 9 10 3 8 10 11 1