HMDB0034878
     RDKit          3D
3-Mercapto-2-methylpentanol
 22 21  0  0  0  0  0  0  0  0999 V2000
    2.2274    0.9066    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743   -0.2476   -0.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4765   -0.8724    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3186   -2.2440   -0.6783 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5958    0.1189    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6220   -0.6500    1.3635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750    0.7222   -0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2382    1.6146   -0.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5061    1.6553    0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9777    1.3350   -0.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8313    0.4685    0.8955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646   -1.0309   -0.7830 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2433    0.0226   -1.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9565   -1.1993    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4058   -2.7057   -1.7982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2378    0.9385    1.1670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4387   -1.7323    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6441   -0.3148    2.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6358   -0.4753    0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8229   -0.0480   -1.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5369    1.2526   -1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1977    2.4854   -0.6723 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
  3  5  1  0
  5  6  1  0
  5  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
  4 15  1  0
  5 16  1  0
  6 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