@MOLECULE 4-trimethylammoniobutanoic acid 10 8 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.8651 0.4355 0.0954 O.2 1 UNL1 -0.3267 2 O -3.2627 -1.2616 -0.0485 O.2 1 UNL1 -0.3521 3 N 4.5564 -0.1999 0.0255 N.1 1 UNL1 -0.4588 4 C 0.7606 0.4503 -0.0387 C.1 1 UNL1 0.2803 5 C -0.4973 0.6350 -0.0523 C.1 1 UNL1 -0.5622 6 C 2.0562 0.2434 -0.0164 C.1 1 UNL1 -0.2133 7 C 3.2794 0.0287 0.0040 C.1 1 UNL1 0.2049 8 C 5.7341 -0.4177 0.0490 C.1 1 UNL1 0.4127 9 C -1.7799 0.7815 -0.0604 C.3 1 UNL1 0.3379 10 C -4.0397 -0.3876 0.0227 C.1 1 UNL1 0.6773 @BOND 1 9 5 1 2 5 4 3 3 2 10 2 4 4 6 1 5 6 7 3 6 7 3 1 7 10 1 2 8 3 8 3