@MOLECULE n-methyl-d-alanine 16 15 0 0 0 SMALL USER_CHARGES @ATOM 1 OXT -1.8853 0.1257 1.0496 O.3 1 ALA11111111 -0.5625 2 O -1.5061 0.5210 -1.1138 O.2 1 ALA11111111 -0.5014 3 N 1.2273 0.7090 -0.1877 N.3 1 ALA11111111 -0.5222 4 CA 0.3092 -0.3285 0.3100 C.3 1 ALA11111111 0.0052 5 CB 0.4733 -1.7179 -0.3189 C.3 1 ALA11111111 -0.4928 6 C -1.0866 0.1665 -0.0463 C.2 1 ALA11111111 0.6305 7 C 2.6111 0.5196 0.2825 C.3 0 UNK0 -0.2645 8 HA 0.4172 -0.3940 1.4280 H 1 ALA1 0.1769 9 HB1 1.4728 -2.1239 -0.1258 H 1 ALA1 0.1580 10 HB2 -0.2517 -2.4322 0.0909 H 1 ALA1 0.1635 11 HB3 0.3301 -1.6937 -1.4072 H 1 ALA1 0.1647 12 H 1.1857 0.7838 -1.2055 H 1 ALA1 0.2713 13 H 2.6353 0.5387 1.3855 H 0 UNK0 0.1487 14 H 3.2148 1.3752 -0.0696 H 0 UNK0 0.1513 15 H 3.0891 -0.4096 -0.0616 H 0 UNK0 0.1186 16 HXT -2.8056 0.4468 0.8851 H 1 ALA1 0.3547 @BOND 1 11 5 1 2 12 3 1 3 2 6 2 4 5 9 1 5 5 10 1 6 5 4 1 7 3 7 1 8 3 4 1 9 14 7 1 10 15 7 1 11 6 4 1 12 6 1 1 13 7 13 1 14 4 8 1 15 16 1 1