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

3 atoms
2 bonds
1 angles

Coords

1        1   1  1
2        1   2   1 
3        1.9428   0.67   1

Types

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

Charges 

1      -0.82   
2       0.41   
3       0.41    

Masses

1  15.9994
2   1.007970 
3   1.007970 

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