1 6 TIP3P Water Dimer
2 1 O 0.000000 0.000000 0.000000 1 2 3
3 2 H -0.239987 0.000000 0.926627 2 1
4 3 H 0.957200 0.000000 0.000000 2 1
5 4 O -0.506021 0.000000 2.700023 1 5 6
6 5 H -0.817909 0.756950 3.195991 2 4
7 6 H -0.817909 -0.756950 3.195991 2 4
8