BeHOH.mol


  4  3  0  0  0  0  0  0  0  0  0
    0.2629    0.1521   -0.0053 O   0  0  0  0  0
    1.7546    0.0837    0.0093 BE  0  0  0  0  0
   -0.3791    0.8713    0.0007 H   0  0  0  0  0
    3.1417   -0.0616   -0.0047 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  2  4  1  0  0  0