@MOLECULE [(3s)-3-amino-3-carboxypropyl](ethyl)methylsulfonium 11 9 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.1033 1.2933 -0.1480 O.2 1 UNL1 -0.3503 2 C 3.2630 1.1431 -0.1835 C.1 1 UNL1 0.6537 3 O 4.4189 0.9928 -0.2158 O.2 1 UNL1 -0.3035 4 C 1.2032 -2.1259 0.1508 C.1 1 UNL1 0.1424 5 N 2.0894 -2.8730 0.1405 N.1 1 UNL1 -0.1649 6 C 0.1585 -1.2368 0.1578 C.1 1 UNL1 -0.0428 7 C -0.7607 -0.4431 0.1599 C.1 1 UNL1 -0.1052 8 S -2.0429 0.6311 0.1500 S.3 1 UNL1 0.5873 9 C -1.8020 2.0869 0.5243 C.2 1 UNL1 0.2411 10 C -4.3935 -0.7009 -0.6168 C.1 1 UNL1 0.3000 11 C -3.3400 -0.1026 -0.2722 C.1 1 UNL1 -0.9578 @BOND 1 10 11 3 2 11 8 1 3 3 2 2 4 2 1 2 5 5 4 3 6 8 7 1 7 8 9 2 8 4 6 1 9 6 7 3