#co2 file taken from the question
3 atoms
2 bonds
1 angles

Coords

1    0.0 0.0 0.0
2    -1.163 0.0 0.0
3    1.163 0.0 0.0

Types

1    3
2    4
3    4 

Charges

1    0.6645
2   -0.33275
3   -0.33275 

Bonds

1    1 1 2
2    1 1 3

Angles

1    1 2 1 3

Special Bond Counts

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

Special Bonds

1    2 3 
1    3
3    1