HMDB0002130
     RDKit          3D
Monomethyl phthalate
 21 21  0  0  0  0  0  0  0  0999 V2000
    3.5870    0.4606    0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369   -0.1765    0.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1094    0.4636   -0.1484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.6001   -0.5826 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406   -0.2465    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0236   -1.5618    0.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1410   -2.3004    0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3880   -1.8030    0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4747   -0.5323    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3549    0.2878   -0.2383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312    1.6069   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696    1.9383   -0.9779 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6652    2.5906   -1.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2037   -0.0398   -0.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4265    1.5346   -0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    0.4336    1.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506   -1.9851    0.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445   -3.3158    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2954   -2.3793    0.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4623   -0.1324   -0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7034    3.5569   -0.8113 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  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10  5  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  6 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
 13 21  1  0
M  END