# CO2 molecule file. TraPPE model.
3 atoms
2 bonds
1 angles
Coords
1 0.0 0.0 0.0
2 -1.16 0.0 0.0
3 1.16 0.0 0.0
Types
1 1
2 2
3 2
Charges
1 0.7
2 -0.35
3 -0.35
Bonds
1 1 1 2
2 1 1 3
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