1deH1Clethaner.mol
  -ISIS-            3D

  7  6  0  0  0  0  0  0  0  0  0
   -1.5870    0.3586   -0.6901 C   0  0  0  0  0
   -0.1079    0.2299   -0.7465 C   0  0  0  0  0
   -1.9125    1.3507   -0.3075 H   0  0  0  0  0
   -2.0148    0.2327   -1.6998 H   0  0  0  0  0
   -2.0433   -0.4009   -0.0249 H   0  0  0  0  0
    0.8018    0.2313    0.7421 CL  0  0  0  0  0
    0.5036    0.3269   -1.6452 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  1  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
<MULTIPLICITY>
 2