HMDB0246549
     RDKit          3D
4-Nitroquinoline N-oxide
 20 21  0  0  0  0  0  0  0  0999 V2000
   -3.4872    1.2386    0.4754 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3397    1.4517   -0.0553 N   0  0  0  0  0  4  0  0  0  0  0  0
   -2.0624    2.6914   -0.5394 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.4854    0.3223   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756   -0.9494   -0.1200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2650   -2.0593   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0661   -1.9788   -0.0662 N   0  0  0  0  0  4  0  0  0  0  0  0
    0.8717   -3.1108   -0.0681 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.6834   -0.7873   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0767   -0.7376    0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    0.4786    0.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9316    1.6158    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5423    1.5507    0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1081    0.3549   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1607   -1.0200   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7084   -3.0559   -0.1672 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6474   -1.6560    0.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7838    0.5923    0.1803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    2.5927    0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    2.4660    0.0843 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  4  1  0
 14  9  1  0
  5 15  1  0
  6 16  1  0
 10 17  1  0
 11 18  1  0
 12 19  1  0
 13 20  1  0
M  CHG  4   2   1   3  -1   7   1   8  -1
M  END