HMDB0059716
     RDKit          3D
9-Methylxanthine
 18 19  0  0  0  0  0  0  0  0999 V2000
   -2.5482   -0.4579   -0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3821    0.3928    0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4297    1.7091    0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1541    2.1039    0.4270 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6833    1.0715    0.2575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0679    0.8889    0.2933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7454    1.9191    0.5430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128   -0.3185    0.0719 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8547   -1.3903   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3793   -2.5288   -0.3989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -1.2093   -0.2242 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0924   -0.0306   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2134   -1.4954   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0915   -0.0654   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1955   -0.4606    0.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2944    2.3294    0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6396   -0.4251    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1026   -2.0327   -0.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12  2  1  0
 12  5  2  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  8 17  1  0
 11 18  1  0
M  END