HMDB0000462
     RDKit          3D
Allantoin
 17 17  0  0  0  0  0  0  0  0999 V2000
    3.0907   -0.0685    0.9340 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    0.2579    1.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304    0.8402    2.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7453   -0.0790    0.2894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621    0.2082    0.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4805   -0.9515    0.3419 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0093   -0.9582   -0.9758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5534   -1.9343   -1.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8192    0.3490   -1.5415 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1736    1.1339   -0.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0526    2.4015   -0.5421 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217   -0.9844    1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    0.6022    0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0072   -0.5616   -0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7797    0.7273    1.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6638   -1.6675    1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0934    0.6847   -2.4952 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
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  9 17  1  0
M  END