HMDB0039163
     RDKit          3D
D-N-(Carboxyacetyl)alanine
 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.4655   -0.6806    1.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4941    0.3579    0.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4477   -0.2197   -0.4402 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8228    0.2798   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0343    1.1834    0.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9956   -0.1784   -0.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1867   -0.3314   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9900   -0.0820    1.1572 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3632   -0.7239   -0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8464    0.1147   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7078   -0.4537    0.7017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685    0.4088   -1.4202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829   -0.2054    2.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0759   -1.5752    1.2707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3886   -0.9463    1.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3373    1.2985    0.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6963   -0.9758   -1.0666 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2370    0.6499   -1.7281 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854   -1.0889   -1.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0332   -0.0358   -0.9008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9371   -0.2801   -1.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  6 18  1  0
  6 19  1  0
  9 20  1  0
 12 21  1  0
M  END