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