HMDB0035901
     RDKit          3D
Thiacremonone
 18 18  0  0  0  0  0  0  0  0999 V2000
    2.7438   -0.8700   -0.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847   -0.3770   -0.1471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8881    0.8246   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6697    1.9354   -0.5468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4812    0.9657    0.2307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694    1.9783    0.7607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2999   -0.2585   -0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4656   -0.3990    0.8745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5977   -0.3192   -1.3741 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0334   -1.4664    0.3867 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068   -1.6206    0.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4363    0.0097   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8123   -1.2765   -1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788    2.6909    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5270   -1.4389    1.2694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322   -0.1313    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3148    0.2514    1.7574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5660   -0.4986   -1.5301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  4 14  1  0
  8 15  1  0
  8 16  1  0
  8 17  1  0
  9 18  1  0
M  END