HMDB0033130
     RDKit          3D
2-Acetyl-5-methylthiophene
 17 17  0  0  0  0  0  0  0  0999 V2000
    2.9548    0.9819    0.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3006   -0.2388   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0318   -1.1691   -0.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8344   -0.3249   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259   -1.3303   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988   -1.1418   -0.5098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    0.0434    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1455    0.5216    0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2788    0.8556    0.3785 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7311    1.3289   -0.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1945    1.8068    0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180    0.8433    1.4682 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4829   -2.2535   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0575   -1.8809   -0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2398    0.6718    1.3275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8194   -0.2449   -0.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2984    1.5308   -0.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9  4  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  5 13  1  0
  6 14  1  0
  8 15  1  0
  8 16  1  0
  8 17  1  0
M  END