waterdimer.mol
  -ISIS-            3D

  6  4  0  0  0  0  0  0  0  0  0
   -1.4108   -0.0282    0.0141 O   0  0  0  0  0
    1.4707   -0.0153   -0.0214 O   0  0  0  0  0
   -1.6799    0.9079    0.0434 H   0  0  0  0  0
   -1.6654   -0.3523   -0.8690 H   0  0  0  0  0
    0.4895   -0.0692    0.0706 H   0  0  0  0  0
    1.8322   -0.5578    0.6995 H   0  0  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0