HMDB0245121
     RDKit          3D
2-Ethylnitrobenzene
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.4396    0.2326    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3445   -0.0016    1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0385   -0.2712    0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -1.5895    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6167   -1.8744   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896   -0.8883   -0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9090    0.3752   -0.7602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6739    0.7489   -0.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2551    2.1011   -0.2715 N   0  0  0  0  0  4  0  0  0  0  0  0
   -0.6711    2.7885   -1.2384 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5613    2.7211    0.6141 O   0  0  0  0  0  1  0  0  0  0  0  0
    3.3023    0.6885    0.5334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7868   -0.6948   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1516    0.9455   -0.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6640   -0.8796    1.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639    0.8784    1.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908   -2.3613    0.8877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9929   -2.8883   -0.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3376   -1.2016   -1.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4942    1.1709   -1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
M  CHG  2   9   1  11  -1
M  END