@MOLECULE trimethylamine n-oxide 14 13 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.0004 -0.0035 1.3450 O.3 1 UNL1 -0.7292 2 N -0.0001 -0.0002 0.0457 N.4 1 UNL1 0.4210 3 C 1.2187 -0.7319 -0.4729 C.3 1 UNL1 -0.3842 4 C -1.2448 -0.6873 -0.4722 C.3 1 UNL1 -0.3841 5 C 0.0258 1.4228 -0.4680 C.3 1 UNL1 -0.3843 6 H 1.2208 -1.7604 -0.0765 H 1 UNL1 0.1730 7 H 1.2501 -0.7523 -1.5659 H 1 UNL1 0.1413 8 H 2.1282 -0.2495 -0.0793 H 1 UNL1 0.1728 9 H -2.1354 -0.1698 -0.0795 H 1 UNL1 0.1727 10 H -1.2779 -0.7085 -1.5650 H 1 UNL1 0.1413 11 H -1.2841 -1.7145 -0.0753 H 1 UNL1 0.1730 12 H 0.9144 1.9375 -0.0682 H 1 UNL1 0.1730 13 H 0.0308 1.4633 -1.5607 H 1 UNL1 0.1413 14 H -0.8479 1.9683 -0.0755 H 1 UNL1 0.1727 @BOND 1 7 3 1 2 10 4 1 3 13 5 1 4 3 8 1 5 3 6 1 6 3 2 1 7 4 9 1 8 4 11 1 9 4 2 1 10 5 14 1 11 5 12 1 12 5 2 1 13 2 1 1