@MOLECULE 3-(1-methyl-1-piperidiniumyl)-1-propanesulfonate 14 14 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -3.3435 0.7631 0.0744 S.3 1 UNL1 2.2951 2 O -3.2769 -0.8714 -0.5503 O.3 1 UNL1 -0.5130 3 O -3.6012 1.7399 -0.9260 O.3 1 UNL1 -0.7761 4 O -3.9085 0.8607 1.3742 O.3 1 UNL1 -0.7808 5 N 1.5339 -1.8502 0.0334 N.pl3 1 UNL1 -0.2132 6 C 2.5528 -0.9623 0.0173 C.1 1 UNL1 0.0775 7 C 6.4693 2.3299 0.0217 C.3 1 UNL1 0.4090 8 C 0.2814 -1.3081 -0.0409 C.1 1 UNL1 0.0134 9 C 3.4754 -0.1362 0.0084 C.1 1 UNL1 -0.1837 10 C 5.4589 1.5179 0.0123 C.1 1 UNL1 -0.6040 11 C 4.4770 0.7137 0.0071 C.1 1 UNL1 0.2732 12 C 1.7291 -3.1794 0.1218 C.3 1 UNL1 0.2181 13 C -0.8463 -0.8342 -0.0955 C.1 1 UNL1 -0.0251 14 C -2.0937 -0.3241 -0.1536 C.3 1 UNL1 -0.1904 @BOND 1 3 1 1 2 2 14 1 3 2 1 1 4 14 13 1 5 14 1 1 6 13 8 3 7 8 5 1 8 11 9 1 9 11 10 3 10 9 6 3 11 10 7 1 12 6 5 1 13 5 12 1 14 1 4 1