1 6 TIP3F Water Dimer
2 1 O 0.000000 0.000000 0.000000 1 2 3
3 2 H -0.974993 0.000000 -0.034654 2 1
4 3 H 0.163320 -0.000001 0.942147 2 1
5 4 O -2.728343 0.000000 0.090156 1 5 6
6 5 H -3.290938 0.753669 -0.106597 2 4
7 6 H -3.290938 -0.753669 -0.106598 2 4
8