HMDB0032935
     RDKit          3D
1-(2-Thienyl)-1-butanone
 20 20  0  0  0  0  0  0  0  0999 V2000
    3.1218    0.4817   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713   -0.4867   -0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0068    0.1912    0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540   -0.6915    0.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0442   -1.6229    1.7579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4423   -0.4738    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360    0.4915   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9728    0.5060   -1.1969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8433   -0.4587   -0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9042   -1.3427    0.3620 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9009    0.1978    0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4825    0.3529   -1.5238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7393    1.4950   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5113   -0.7071   -1.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400   -1.4281    0.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6891    1.1377    0.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5230    0.4766    1.6281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626    1.2269   -0.9755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3319    1.2455   -1.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945   -0.5914   -1.0707 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
M  END