#H20
3 atoms
2 bonds
1 angles
   
Coords 

1 0.0000000 0.000000  0.00000
2 0.8164904 0.5773590 0.00000
3 -0.8164904 0.5773590 0.00000

Types

1 1
2 2
3 2

Charges

1 -1.040
2 0.520
3 0.520

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