1-Propanethiol
  -ISIS-            3D
s97 C3H8S CCCS
 12 11  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 S   0  0  0  0  0
    1.7726    0.0000    0.0000 C   0  0  0  0  0
    2.2201    1.4401    0.0000 C   0  0  0  0  0
    3.7246    1.5424   -0.0000 C   0  0  0  0  0
   -0.2086   -1.3039   -0.0000 H   0  0  0  0  0
    2.1610   -0.5300   -0.9027 H   0  0  0  0  0
    2.1613   -0.5302    0.9025 H   0  0  0  0  0
    1.8065    1.9624    0.9040 H   0  0  0  0  0
    1.8064    1.9621   -0.9042 H   0  0  0  0  0
    4.0366    2.6147   -0.0000 H   0  0  0  0  0
    4.1541    1.0497   -0.9057 H   0  0  0  0  0
    4.1543    1.0490    0.9051 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  3  9  1  0  0  0
  4 10  1  0  0  0
  4 11  1  0  0  0
  4 12  1  0  0  0
M  END