@MOLECULE (s)-2-hydroxypropionate 6 4 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 1.7177 -1.2493 -0.1089 O.3 1 UNL1 -0.1845 2 O -2.3196 -0.6969 0.1584 O.2 2 UNL2 -0.2839 3 O -0.7408 0.9804 -0.2338 O.2 2 UNL2 -0.3662 4 C 1.6782 -0.0839 0.0511 C.3 1 UNL1 -0.0864 5 C 1.6399 1.2334 0.2270 C.3 1 UNL1 0.2584 6 C -1.5294 0.1369 -0.0325 C.1 2 UNL2 0.6625 @BOND 1 3 6 2 2 1 4 1 3 6 2 2 4 4 5 1