@MOLECULE trimethylglycine 19 18 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 N -1.1045 -0.0737 -0.0002 N.4 1 UNL1 0.1230 2 C 0.1737 -0.8425 -0.0013 C.3 1 UNL1 -0.4695 3 C 1.6445 -0.0168 -0.0002 C.2 1 UNL1 0.7545 4 C -1.9069 -0.4421 -1.2235 C.3 1 UNL1 -0.3523 5 C -1.9061 -0.4465 1.2225 C.3 1 UNL1 -0.3524 6 C -0.9404 1.4174 0.0027 C.3 1 UNL1 -0.3417 7 H -2.8687 0.0858 1.2545 H 1 UNL1 0.1615 8 H -2.1067 -1.5303 1.2491 H 1 UNL1 0.1705 9 H -1.3418 -0.1858 2.1386 H 1 UNL1 0.1875 10 H -1.9072 1.9330 0.0065 H 1 UNL1 0.1419 11 H -0.3368 1.7469 0.8775 H 1 UNL1 0.2165 12 H -0.3413 1.7508 -0.8736 H 1 UNL1 0.2162 13 H -2.8692 0.0908 -1.2533 H 1 UNL1 0.1615 14 H -1.3430 -0.1786 -2.1391 H 1 UNL1 0.1875 15 H -2.1079 -1.5258 -1.2535 H 1 UNL1 0.1705 16 H 0.2701 -1.4786 -0.8911 H 1 UNL1 0.1687 17 H 0.2703 -1.4810 0.8867 H 1 UNL1 0.1687 18 O 2.5392 -0.8355 0.0000 O.co2 1 UNL1 -0.6202 19 O 1.5563 1.1968 -0.0001 O.co2 1 UNL1 -0.6923 @BOND 1 14 4 1 2 15 4 1 3 13 4 1 4 4 1 1 5 16 2 1 6 12 6 1 7 2 3 1 8 2 1 1 9 2 17 1 10 3 19 ar 11 3 18 ar 12 1 6 1 13 1 5 1 14 6 10 1 15 6 11 1 16 5 8 1 17 5 7 1 18 5 9 1