#LAMMPS data file. msi2lmp v3.9.6 / 11 Sep 2014 / CGCMM for MethaneCVFF

3 atoms
2 bonds
1 angles

Coords

1        0.0 0.0 0.0
2        -1.162 0.0 0.0
3        1.162 0.0 0.0

Types

1        1 # 12 
2        2 # 13  
3        2 #13 

Charges 

1      0.6512   
2       -0.3256   
3       -0.3256    

Masses

1  12.0107
2   15.9994 
3   15.9994 

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