HMDB0000474
     RDKit          3D
Butanone
 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.8621   -0.1213    0.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4441   -0.6405   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4726    0.4970    0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9607    0.3062   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0900    1.5974    0.4995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5460   -0.9453   -0.1456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822    0.7294   -0.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9711    0.2539    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2246   -1.5158    0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -0.9415   -1.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3502    0.1311    0.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3974    1.1980   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1598   -0.5488   -0.7016 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
  3  5  2  0
  1  6  1  0
  1  7  1  0
  1  8  1  0
  2  9  1  0
  2 10  1  0
  4 11  1  0
  4 12  1  0
  4 13  1  0
M  END