HMDB0245951
     RDKit          3D
3-Nitropropanol
 14 13  0  0  0  0  0  0  0  0999 V2000
    2.2444   -0.7461    1.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1705   -0.4024   -0.1106 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.2816   -0.4233   -0.8978 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.8967    0.0164   -0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836   -0.0447    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234    0.3964   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5176    0.3444    0.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6134   -0.5628   -1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0383    1.0698   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2008   -1.0650    0.8141 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1314    0.6519    1.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -0.1369   -1.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4086    1.4731   -0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7735   -0.5707    1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  4  9  1  0
  5 10  1  0
  5 11  1  0
  6 12  1  0
  6 13  1  0
  7 14  1  0
M  CHG  2   2   1   3  -1
M  END