HMDB0012880
     RDKit          3D
Acetamidopropanal
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.8357    0.0318    0.7410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6629    0.4986   -0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529    1.4959   -0.7937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961   -0.1202    0.0203 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6922    0.3817   -0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9653   -0.3755   -0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4563   -0.3627    0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4870   -0.9501    1.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4953   -0.2664    1.7724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244   -0.8490    0.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5666    0.8525    0.8945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2397   -0.9352    0.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8349    1.4530   -0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4011    0.2987   -1.8413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8521   -1.4247   -0.9370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7452    0.1299   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9395    0.1418    1.5950 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  1  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
M  END