HMDB0060332
     RDKit          3D
1-Nitronaphthalene-7,8-oxide
 21 23  0  0  0  0  0  0  0  0999 V2000
    2.3460   -2.0777    0.4687 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5082   -0.9132    0.0777 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.7521   -0.5485   -0.4334 O   0  0  0  0  0  1  0  0  0  0  0  0
    1.5091    0.0700    0.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9018    1.3975    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0009    2.4303    0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294    2.1029    0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7432    0.7867    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1780   -0.2444   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2187   -1.6505   -0.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8931   -2.2738    0.7821 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.9378   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5674   -0.7916   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1533    0.4477   -0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9629    1.6482    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3583    3.4384    0.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729    2.8737    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901   -2.2471   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259   -2.8284   -0.9626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6266   -0.9785   -0.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8478    1.2960   -0.0470 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
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
  9  4  1  0
 12 10  1  0
 14  8  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
M  CHG  2   2   1   3  -1
M  END