1     6  iAMOEBA Water Dimer
2     1  O      1.450775    0.000000    0.068786     1     2     3
3     2  H      0.500782    0.000000   -0.133639     2     1
4     3  H      1.891324    0.000000   -0.781339     2     1
5     4  O     -1.382513    0.000000   -0.061325     1     5     6
6     5  H     -1.737647   -0.765097    0.398288     2     4
7     6  H     -1.737647    0.765097    0.398288     2     4
8