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