HMDB0000704
     RDKit          3D
Isoxanthopterin
 18 19  0  0  0  0  0  0  0  0999 V2000
    3.3540   -0.3770    0.0890 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0295    0.0905   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7509    1.3534   -0.4674 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5094    1.8278   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734    3.0134   -1.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5488    0.9759   -0.4018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284    1.3788   -0.5505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8347    0.5257   -0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5297   -0.7628    0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4925   -1.5592    0.3021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2713   -1.2045    0.2417 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2699   -0.3360    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.7413    0.1493 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6472   -1.2526   -0.3605 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0109    0.1667    0.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8917    0.8113   -0.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -2.1771    0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1461   -1.7329    0.4521 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13  2  1  0
 12  6  2  0
  1 14  1  0
  1 15  1  0
  8 16  1  0
 11 17  1  0
 13 18  1  0
M  END