HMDB0253706
     RDKit          3D
ISOVALERYLUREA
 22 21  0  0  0  0  0  0  0  0999 V2000
   -2.2649    0.7433   -0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7473   -0.0247    0.4957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6882   -1.2237    0.6816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819   -0.5825    0.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616    0.3924    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4438    1.6238   -0.0364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -0.0443   -0.1860 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0636    0.8528   -0.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3965    0.4107   -0.6610 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779    2.0864   -0.4997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0166    1.4811   -0.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090    0.0554   -1.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5005    1.2447   -1.2773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8471    0.6061    1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1241   -2.0472    1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5871   -0.9576    1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9210   -1.5776   -0.3538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4279   -1.3378   -0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1059   -1.1411    1.2176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2579   -1.0744   -0.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7189   -0.1208   -1.4906 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1072    0.6350    0.0724 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  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
M  END