HMDB0039806
     RDKit          3D
1-Hexanethiol
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.9688   -0.1537    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8152    0.7839    0.2549 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6821    0.0207   -1.1188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1239   -1.0157   -0.1140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6751   -0.3162    1.4338 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8313    0.0835   -0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6997   -1.2123    0.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2923   -0.1036    1.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5294    1.2568    1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1290    1.5686   -0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590   -0.7636    0.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0019   -0.6073   -1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8634    1.2895    0.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747    1.6112   -1.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2689   -0.5622   -1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4963    0.6357   -1.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -1.7789   -0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9995   -1.5608   -0.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0410    0.0076    1.4442 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
  5  6  1  0
  6  7  1  0
  1  8  1  0
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  1 10  1  0
  2 11  1  0
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  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
M  END