HMDB0028680
     RDKit          3D
Alanylalanine
 23 22  0  0  0  0  0  0  0  0999 V2000
    2.4834    0.6795    1.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1383   -0.5070    0.1889 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1857   -0.5960   -0.7921 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8160   -0.3045   -0.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7413   -0.2344   -1.6959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3519   -0.1903    0.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6470    0.0070   -0.2602 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5787   -1.1677    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2946    1.2195    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7608    1.9862    1.1194 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5530    1.5889   -0.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7525    0.8294    1.8862 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    0.4107    1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6607    1.5728    0.4540 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1191   -1.3974    0.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0564   -0.8990   -0.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3026    0.2920   -1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2847   -0.2495    1.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5502    0.0479   -1.3666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3908   -1.1309   -0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9756   -2.0850   -0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9734   -1.0578    1.0772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3615    1.1857    0.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  1
  3 16  1  0
  3 17  1  0
  6 18  1  0
  7 19  1  6
  8 20  1  0
  8 21  1  0
  8 22  1  0
 11 23  1  0
M  END