HMDB0034228
     RDKit          3D
Thiolutin
 22 23  0  0  0  0  0  0  0  0999 V2000
    4.1526    0.4366   -0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025    0.5776    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3926    1.3882    1.1747 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102   -0.1670   -0.3791 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3288   -0.1262   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4691    0.6257    0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921    1.8089    1.9131 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729    2.0680    2.4127 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7820    0.9378    1.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8562    0.2942    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229   -0.6513   -0.4815 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0087   -1.3005   -1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5677   -0.8958   -0.8822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2372   -1.7328   -1.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3371    0.0117   -1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5531   -0.2983    0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6338    1.4196    0.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1195   -0.8326   -1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8909    0.7660    1.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4835   -0.5740   -1.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7193   -2.2256   -1.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7277   -1.5302   -0.1865 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  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13  5  1  0
 10  6  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  9 19  1  0
 12 20  1  0
 12 21  1  0
 12 22  1  0
M  END