HMDB0040152
     RDKit          3D
3-Mercapto-1-hexanol
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.1683   -0.0935   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7588    0.3778   -0.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0523   -0.6348    0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.2184    0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4432    1.3779    1.6049 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2029   -0.1829   -0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6220    0.2433   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359    0.2981   -1.2631 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8192    0.1005    0.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1716   -1.1949   -0.8091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6057    0.3418   -1.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621    0.4958   -1.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7219    1.3666    0.0839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6417   -0.7213    1.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1089   -1.6028   -0.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8128   -0.9992    1.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5779    1.3724    2.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -1.1990   -0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7741    0.4570   -1.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5507    1.2656    0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0400   -0.4729    0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1718   -0.3769   -1.2266 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  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  7 21  1  0
  8 22  1  0
M  END