HMDB0256295
     RDKit          3D
Amyl nitrate
 20 19  0  0  0  0  0  0  0  0999 V2000
   -2.7609    0.2640    0.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1678   -0.4392   -0.8335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7313   -0.8497   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1561    0.3295   -0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731   -0.1492   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4485    0.9419    0.1164 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7805    0.7889    0.3373 N   0  0  0  0  0  4  0  0  0  0  0  0
    4.3835   -0.1801   -0.1639 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    1.6609    1.0994 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.9303    1.3174    0.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7709   -0.1555    0.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1515    0.1972    1.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1713    0.2233   -1.7417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7754   -1.3262   -1.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6365   -1.5339    0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3369   -1.3816   -1.5076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1772    1.0393   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2041    0.8085    0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -0.6323   -1.0680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6476   -0.9232    0.6534 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
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
M  CHG  2   7   1   9  -1
M  END