1     8  TIP4P Water Dimer
2     1  O      0.000000    0.000000    0.000000     1     2     3     4
3     2  H      0.000000    0.000000    0.957200     2     1
4     3  H      0.926627    0.000000   -0.239987     2     1
5     4  M      0.118619    0.000000    0.091812     3     1
6     5  O     -0.057231    0.000000    2.747197     1     6     7     8
7     6  H     -0.506400   -0.756940    3.123370     2     5
8     7  H     -0.506400    0.756940    3.123370     2     5
9     8  M     -0.172229    0.000000    2.843506     3     5
10