HMDB0001430
     RDKit          3D
L-Dopachrome
 21 22  0  0  0  0  0  0  0  0999 V2000
    4.0168    1.5301   -0.2534 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703    0.8703   -0.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6681    1.2801   -0.5941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729    0.5637   -0.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8514    0.7277   -0.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5698   -0.1153    0.2181 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9210   -0.5326   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2276   -1.7319   -0.4122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8579    0.4698   -0.4347 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6865   -1.2463    0.4004 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6427   -0.6849    0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983   -1.1232    0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0507   -0.3904    0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432   -0.7942    1.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6364    2.2242   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9418    0.2893   -1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1667    1.7903   -0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6393    0.4665    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5758    0.7202    0.2303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8834   -2.2558    0.5428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8217   -2.0577    1.3964 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