NSCHO.mol
  -ISIS-            3D

  5  4  0  0  0  0  0  0  0  0  0
   -0.8788   -0.0419    0.0365 S   0  0  0  0  0
    1.1435   -0.1260    0.0128 C   0  0  0  0  0
   -1.2130    1.4457   -0.0432 N   0  0  0  0  0
    1.8114   -1.1243   -0.0198 O   0  0  0  0  0
    1.5074    0.9442    0.0009 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  2  0  0  0
  2  4  2  0  0  0
  2  5  1  0  0  0