HMDB0010738
     RDKit          3D
1-Methylxanthine
 18 19  0  0  0  0  0  0  0  0999 V2000
    2.7073   -0.6362   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3476   -0.1314    0.0340 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1056    1.1394    0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1327    1.8439    0.6856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1347    1.6592    0.4905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2100    0.9054    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423    1.1099    0.1754 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1904   -0.0059   -0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2456   -0.9366   -0.4317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0274   -0.3914   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2684   -0.8801   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4638   -2.0759   -0.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -0.2562    0.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7635   -1.7235    0.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -0.2338   -0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627    2.6564    0.7874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793   -0.1309   -0.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3816   -1.9122   -0.7382 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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11  2  1  0
 10  6  2  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  5 16  1  0
  8 17  1  0
  9 18  1  0
M  END