1     8  TIP4F Water Dimer
2     1  O      0.000000    0.000000    0.000000     1     2     3     4
3     2  H     -0.971838   -0.095451    0.083770     2     1
4     3  H      0.404091   -0.755692    0.423620     2     1
5     4  M     -0.077891   -0.148262    0.027146     3     1
6     5  O     -2.664727   -0.108389    0.076626     1     6     7     8
7     6  H     -2.701512   -0.209979   -0.879746     2     5
8     7  H     -2.769776    0.830444    0.258909     2     5
9     8  M     -2.595907    0.013919   -0.031123     3     5
10