HMDB0004290
     RDKit          3D
Isopyridoxal
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.8896   -0.8747   -0.3829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6549   -0.0385   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7352    1.3031   -0.1476 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6084    2.0181    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226    1.4064    0.1073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8280    2.2095    0.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7431    3.4708    0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266    0.0344    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295   -0.6628    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8485   -2.0243    0.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4412   -0.6854   -0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900   -2.0610   -0.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9036   -1.3165   -1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201   -1.6387    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7494   -0.2121   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169    3.1083    0.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7940    1.7489    0.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -0.3472   -0.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977   -0.3787    1.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3130   -2.4920    0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2531   -2.5677   -0.2979 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
  5  8  1  0
  8  9  1  0
  9 10  1  0
  8 11  2  0
 11 12  1  0
 11  2  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  6 17  1  0
  9 18  1  0
  9 19  1  0
 10 20  1  0
 12 21  1  0
M  END