HMDB0012931
     RDKit          3D
Dopachrome o-semiquinone
 22 23  0  0  0  0  0  0  0  0999 V2000
   -3.5088    1.6582    0.9478 O   0  0  0  0  0  1  0  0  0  0  0  0
   -2.4315    0.8834    0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2515    0.8601    1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887    0.0947    0.7957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3553   -0.6334   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5317   -0.6148   -1.0757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5904    0.1489   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7957    0.2010   -1.3325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8558   -1.3533   -0.6330 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110   -0.7053    0.1547 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6182    0.3046   -0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535    0.4753   -1.8476 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6506    1.0650   -0.1804 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1577   -0.1433    1.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1707    1.4520    2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6341   -1.2042   -1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9193   -0.3266   -2.1706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0181   -2.1638   -1.2447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6347   -1.4908    0.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    1.6328    0.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924   -0.8932    2.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6314    0.7530    1.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
  7  2  1  0
 14  4  1  0
  3 15  1  0
  6 16  1  0
  8 17  1  0
  9 18  1  0
 10 19  1  1
 13 20  1  0
 14 21  1  0
 14 22  1  0
M  RAD  1   1   2
M  END