# H2O molecule
3 atoms
2 bonds
1 angles




Types

1 1            
2 2            
3 2

Coords

1 1.55 1.55 1.5	
2 1.55 2.30695 2.08588
3 1.55 0.79305 2.08588

Charges

1 -1.1128
2 0.5564
3 0.5564

Bonds

1 1 2 1
2 1 3 1

 
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