HMDB0031160
     RDKit          3D
1-Pentanesulfenothioic acid
 19 18  0  0  0  0  0  0  0  0999 V2000
   -2.2601    0.5194   -0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5840   -0.7857   -0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4711   -0.6895    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6335    0.2313    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2381   -0.2532   -1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5478    0.9641   -1.4346 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.0327    0.7227    0.1006 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9527    0.3379   -1.3718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    1.2951   -0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9040    0.8838    0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2050   -1.2029   -1.1659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3750   -1.4689    0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0028   -1.7136    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685   -0.4390    1.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2661    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2131    1.2451    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7429   -1.2280   -0.8622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4809   -0.2687   -1.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7495    1.5839    1.1830 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
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  7 19  1  0
M  END