HMDB0000766
     RDKit          3D
N-Acetyl-L-alanine
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.9569    0.0181   -0.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   -0.5081   -0.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6201   -1.6818    0.4082 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152    0.3381   -0.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7674   -0.1708    0.3448 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3896    0.7191    1.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6837   -0.1398   -0.8396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3268    0.2621   -1.9588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9842   -0.5954   -0.6140 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5996   -0.7849   -0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5344    0.4999    0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    0.7789   -1.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5941    1.3020   -0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6669   -1.2014    0.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6569    1.1212    2.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9146    1.5735    0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1975    0.1247    1.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6576   -0.5428   -1.3733 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  1
  6 15  1  0
  6 16  1  0
  6 17  1  0
  9 18  1  0
M  END