HMDB0255053
     RDKit          3D
N-Acetyl-DL-alanine
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.7838   -0.3264    1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4555    0.2730    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1822    1.3696    1.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -0.3301    0.0827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7591    0.3277   -0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381    0.6026   -1.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9106   -0.4891    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7126   -1.6148    0.7640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862   -0.0108    0.1301 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1800    0.0125    2.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.4275    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4797    0.0185    0.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7251   -1.2424   -0.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    1.2931    0.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3178   -0.1026   -2.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    1.6289   -1.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9788    0.4965   -1.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8426   -0.4789   -0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
M  END