LAMMPS C2H6 molecule file
 2 atoms
 1 bonds
 0 angles
 0 dihedrals
 0 impropers
 30.070 mass
 0.0 0.0 0.0 com
 0.0 0.0 0.0 0.0 0.0 0.0 inertia

 Coords

 1 2.22600000000000 1.00100000000000 1.00100000000000
 2 1.00100000000000 1.90600000000000 1.26200000000000

 Types

 1 1 
 2 1

 Masses

 1 15.035 
 2 15.035

 Bonds
 
 1 1 1 2

 Special Bond Counts

 1 1 0 0
 2 1 0 0

 Special Bonds

 1 2
 2 1

 Shake Flags

 1 2
 2 2

 Shake Atoms

 1 1 2 
 2 1 2

 Shake Bond Types

 1 1 
 2 1