@MOLECULE dimethylglycine ethyl ester 22 21 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.4416 0.0843 0.4223 C.3 1 UNL111111111 -0.5864 2 C -2.5420 -0.4660 -0.6722 C.3 1 UNL111111111 -0.1221 3 O -1.2686 -0.8178 -0.1262 O.3 1 UNL111111111 -0.1900 4 C -0.3986 0.1857 0.1334 C.2 1 UNL111111111 0.3020 5 C 0.8726 -0.4060 0.7171 C.3 1 UNL111111111 -0.4138 6 N 1.9591 -0.1402 -0.2503 N.3 1 UNL111111111 -0.0843 7 C 2.4413 1.2524 -0.1508 C.3 1 UNL111111111 -0.7747 8 O -0.6530 1.3462 -0.0490 O.2 1 UNL111111111 -0.3245 9 C 3.0713 -1.0943 -0.0551 C.3 1 UNL111111111 -0.8644 10 H -3.4791 -0.5892 1.2867 H 1 UNL111111111 0.2048 11 H -3.0769 1.0585 0.7800 H 1 UNL111111111 0.1789 12 H -4.4662 0.2285 0.0631 H 1 UNL111111111 0.1814 13 H -2.8885 -1.4408 -1.0643 H 1 UNL111111111 0.1715 14 H -2.4006 0.2494 -1.5023 H 1 UNL111111111 0.1167 15 H 1.0396 0.0298 1.7271 H 1 UNL111111111 0.2575 16 H 0.7496 -1.5069 0.8532 H 1 UNL111111111 0.2811 17 H 1.5909 1.9471 -0.2924 H 1 UNL111111111 0.2536 18 H 2.9356 1.5011 0.7986 H 1 UNL111111111 0.2660 19 H 3.1460 1.4393 -0.9780 H 1 UNL111111111 0.2686 20 H 3.5442 -1.0524 0.9365 H 1 UNL111111111 0.2916 21 H 2.7053 -2.1196 -0.2334 H 1 UNL111111111 0.2928 22 H 3.8437 -0.8944 -0.8180 H 1 UNL111111111 0.2939 @BOND 1 14 2 1 2 13 2 1 3 19 7 1 4 22 9 1 5 2 3 1 6 2 1 1 7 17 7 1 8 6 7 1 9 6 9 1 10 6 5 1 11 21 9 1 12 7 18 1 13 3 4 1 14 9 20 1 15 8 4 2 16 12 1 1 17 4 5 1 18 1 11 1 19 1 10 1 20 5 16 1 21 5 15 1