HMDB0000730
     RDKit          3D
Isobutyrylglycine
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.5996    0.9205   -0.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5855   -0.1342   -0.5644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1025   -0.9407    0.6105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3069    0.5115   -0.2681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1863    1.7727   -0.3414 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -0.2165    0.1091 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1147    0.3716    0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1218   -0.6573    0.7711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8507   -1.8886    0.8006 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3971   -0.2113    1.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1134    1.7192   -1.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303    0.4317   -1.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0744    1.2986   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273   -0.8461   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5155   -1.9228    0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9577   -0.3922    1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3241   -1.0870    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7621   -1.2543    0.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.9258   -0.5130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0862    1.0993    1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8971    0.5001    0.6096 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  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
  6 18  1  0
  7 19  1  0
  7 20  1  0
 10 21  1  0
M  END