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

Coords

1    46.960   7.880  99.660
2    46.800   8.260 100.570
3    46.570   6.970  99.610

Types

1    15
2    14
3    14

Charges

1    0.8
2   -0.4
3   -0.4

Bonds

1    4 1 2
2    4 1 3

Angles

1    2 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