HMDB0039781
     RDKit          3D
xi-2-Mercapto-3-methyl-1-butanol
 19 18  0  0  0  0  0  0  0  0999 V2000
   -1.2244   -1.1654    0.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5386    0.1850    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5505    1.2069   -0.2159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6453    0.1656   -0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5306    1.7220   -0.7156 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.5667   -1.0011   -0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0619   -0.9173    0.9197 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2424   -1.0896    0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6255   -1.9584    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561   -1.3740   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2185    0.4073    1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478    0.9108    0.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023    1.1284   -1.3245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3122    2.2289    0.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2371   -0.0144   -1.7104 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0941    2.6116    0.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526   -0.9436   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -1.9698   -0.4855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6737   -0.1328    1.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  3 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
M  END