# Water molecule. SPC/E geometry

3 atoms
2 bonds
1 angles

Coords

1    0.00000  -0.06461   0.00000
2    0.81649   0.51275   0.00000
3   -0.81649   0.51275   0.00000

Types

1        1   # O
2        2   # H
3        2   # H

Charges

1       -0.8476
2        0.4238
3        0.4238

Bonds

1   1      1      2
2   1      1      3

Angles

1   1      2      1      3