HMDB0032606
     RDKit          3D
3-Methoxybenzoic acid
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.7147    1.4981   -0.7898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4465    0.2198   -0.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1830   -0.2783   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0197   -1.5653    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1989   -2.1079    0.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3308   -1.3455    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270   -0.0455    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4257    0.7492   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457    1.9221   -0.5729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6645    0.2135    0.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334    0.4602   -0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6577    2.2082    0.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644    1.4880   -1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0087    1.8633   -1.5486 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422   -2.1410    0.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2640   -3.1185    1.0863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219   -1.7133    0.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0789    0.2252    1.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0871    1.4678   -0.5871 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  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  2  0
 11  3  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
 10 18  1  0
 11 19  1  0
M  END