1-Butanethiol
  -ISIS-            3D
s99 C4H10S CCCCS
 15 14  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0
    1.7727    0.0000    0.0000 C   0  0  0  0  0
    2.2185    1.4400    0.0000 C   0  0  0  0  0
    3.7307    1.5403    0.0000 C   0  0  0  0  0
    4.1839    2.9774    0.0000 C   0  0  0  0  0
   -0.2082   -1.3040   -0.0000 H   0  0  0  0  0
    2.1607   -0.5302   -0.9028 H   0  0  0  0  0
    2.1609   -0.5303    0.9026 H   0  0  0  0  0
    1.8075    1.9640    0.9039 H   0  0  0  0  0
    1.8082    1.9636   -0.9044 H   0  0  0  0  0
    4.1403    1.0151   -0.9030 H   0  0  0  0  0
    4.1405    1.0150    0.9029 H   0  0  0  0  0
    5.2993    3.0317    0.0000 H   0  0  0  0  0
    3.8040    3.5108    0.9048 H   0  0  0  0  0
    3.8047    3.5104   -0.9054 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2  8  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4 12  1  0  0  0
  5 13  1  0  0  0
  5 14  1  0  0  0
  5 15  1  0  0  0
M  END