HMDB0062557
     RDKit          3D
N-Acetylthreonine
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.3289   -0.2437   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0556    0.2255   -0.6978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0065    0.6720   -1.8583 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717    0.1507    0.1198 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4031    0.5839   -0.3650 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9118    1.6800    0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2155    2.0876    1.4040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1256    2.3248    0.2311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200   -0.6047   -0.4581 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3881   -1.3985    0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5762   -0.2923   -0.9163 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8759    0.5988    0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231   -0.6910   -0.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011   -1.0572    0.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9099   -0.2224    1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2641    0.9503   -1.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497    2.5298    0.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8560   -1.2911   -1.2240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3913   -1.8005    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0244   -2.2886    0.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8638   -0.8621    1.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9831   -1.0511   -1.4127 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
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  6
  8 17  1  0
  9 18  1  6
 10 19  1  0
 10 20  1  0
 10 21  1  0
 11 22  1  0
M  END