Water molecule topology

3 atoms
2 bonds
1 angles


Coords

1 1.81 1.64 1.68
2 0.88 1.62 2.05
3 1.82 1.25 0.76

Types

1 1
2 2
3 2

Charges

1 -0.8476
2  0.4238
3  0.4238

Masses

1 15.9994
2 1.008
3 1.008

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