O2-H2O.mol


  5  3  0  0  0  0  0  0  0  0  0
   -1.7388   -0.4432    0.1928 O   0  0  0  0  0
   -0.6877   -0.5036    0.1679 H   0  0  0  0  0
   -1.8568    0.4939   -0.0427 H   0  0  0  0  0
    0.8566   -0.3819    0.0752 O   0  0  0  0  0
    0.9851    0.9464   -0.2602 O   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  4  5  1  0  0  0