# H2O molecule file. TIP4P/2005 model.

3 atoms
2 bonds
1 angles

Coords

       1       -1.55882982         -1.55882982         -1.55882982
       2       -1.55882982         -0.80187982         -0.97294982
       3       -1.55882982         -2.31577982         -0.97294982

Types

1        1  
2        2   
3        2  

Charges 

1      -1.11280000
2       0.55640000
3       0.55640000

Bonds

1   1      1      2
2   1      1      3

Angles

1   1      2      1      3

Special Bond Counts

1 2 0 0
2 1 1 0
3 1 1 0

Special Bonds

1 2 3
2 1 3
3 1 2

Shake Flags

1   1
2   1
3   1

Shake Atoms

1  1 2 3
2  1 2 3
3  1 2 3

Shake Bond Types

1  1 1 1
2  1 1 1
3  1 1 1