HMDB0031325
     RDKit          3D
n-Butyl acetate
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.2452    1.0700    1.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4947    0.2050    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8839    1.0620   -0.6905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1516    0.1325   -1.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8512   -0.5544   -0.9502 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112    0.0240   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425   -0.7715    0.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286    1.2729   -0.2998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2072    2.1125    1.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2809    0.7011    1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7451    1.0346    2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1725   -0.5348   -0.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6334   -0.2901    0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2400    1.7978   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6876    1.5756   -1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139   -0.5908   -2.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385    0.7507   -2.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5562   -1.7734    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2576   -0.1817    1.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8700   -0.8913   -0.2094 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
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
M  END