# CO2 molecule file. TraPPE model.

4 atoms
3 bonds
3 angles

Coords

1     2.0000    1.0000    0.0000
2     3.0221    1.5679    0.0000
3     0.9779    0.4321    0.0000
4     2.0000    0.0000    0.0000

Types

1        1  
2        2   
3        2  
4        3

Charges 

1        0.6512
2       -0.3256 
3       -0.3256  
4        0.0000

Bonds

1   1      1      2
2   1      1      3
3   2      1      4

Angles

1   1      2      1      3
2   2      2      1      4
3   3      3      1      4