HMDB0041361
     RDKit          3D
2-Ethylbenzenethiol
 19 19  0  0  0  0  0  0  0  0999 V2000
    2.3500   -0.0808   -0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4500   -0.0487    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8898   -1.5270   -0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0545    2.6321    0.1124 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1618   -1.0594   -0.9183 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1950    0.7460   -1.1045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4024   -0.0873   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7661   -0.8397    1.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6473    0.9746    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0420   -2.2505    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4112   -2.4783   -0.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5117    1.7604   -0.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2557    2.7519   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
M  END