1     6  POL3 Water Dimer
2     1  O      1.443234    0.000000    0.062729     1     2     3
3     2  H      1.764767    0.000000   -0.884161     2     1
4     3  H      0.443312    0.000000    0.075180     2     1
5     4  O     -1.343765    0.000000   -0.030204     1     5     6
6     5  H     -1.893476    0.816500    0.146355     2     4
7     6  H     -1.893476   -0.816500    0.146355     2     4
8