HMDB0011622
     RDKit          3D
D-Dopachrome
 21 22  0  0  0  0  0  0  0  0999 V2000
    4.0061   -0.5741   -1.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9089   -0.2225   -0.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7150   -0.9999   -1.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5766   -0.6147   -0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7562   -1.2759   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6048   -0.4559    0.3360 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9585   -0.1486   -0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9437   -0.6165    0.6274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3298    0.6368   -1.1187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9087    0.7706    0.6629 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4470    0.6211    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211    1.3736    0.4352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8534    1.0493   -0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8475    1.6904    0.0657 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873   -1.9463   -1.5842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1008   -1.3580   -1.6049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6032   -2.3094   -0.1487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7082   -1.0670    1.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8881    1.5885   -1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3032    1.5845    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4422    2.2740    1.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  6 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13  2  1  0
 11  4  1  0
  3 15  1  0
  5 16  1  0
  5 17  1  0
  6 18  1  1
  9 19  1  0
 10 20  1  0
 12 21  1  0
M  END