LAMMPS INPUT FILE FOR ethane1                         
       8 atoms
       7 bonds
      12 angles
       9 dihedrals
       0 impropers
       2 bond types
       2 angle types
       1 dihedral types
       0 improper types
  0.000000000000000E+00   0.100000000000000E+03 xlo xhi
  0.000000000000000E+00   0.100000000000000E+03 ylo yhi
  0.000000000000000E+00   0.100000000000000E+03 zlo zhi
 
 Masses 
 
       1   0.120107000000000E+02
       2   0.100800000000000E+01
 
 Atoms 
 
       1        1        2   0.000000000000000E+00   0.548000000000000E+00   0.176600000000000E+01   0.000000000000000E+00  # H 
       2        1        1   0.000000000000000E+00   0.729000000000000E+00   0.898000000000000E+00   0.647000000000000E+00  # C 
       3        1        2   0.000000000000000E+00   0.497000000000000E+00   0.000000000000000E+00   0.590000000000000E-01  # H 
       4        1        2   0.000000000000000E+00   0.000000000000000E+00   0.946000000000000E+00   0.146700000000000E+01  # H 
       5        1        1   0.000000000000000E+00   0.214200000000000E+01   0.875000000000000E+00   0.116100000000000E+01  # C 
       6        1        2   0.000000000000000E+00   0.232400000000000E+01   0.500000000000000E-02   0.180600000000000E+01  # H 
       7        1        2   0.000000000000000E+00   0.287000000000000E+01   0.830000000000000E+00   0.342000000000000E+00  # H 
       8        1        2   0.000000000000000E+00   0.237200000000000E+01   0.177100000000000E+01   0.175200000000000E+01  # H 
 
 Bonds 
 
       1        2        1        2
       2        2        2        3
       3        2        2        4
       4        1        2        5
       5        2        5        6
       6        2        5        7
       7        2        5        8
 
 Angles 
 
       1        2        1        2        3
       2        2        1        2        4
       3        1        1        2        5
       4        2        3        2        4
       5        1        3        2        5
       6        1        4        2        5
       7        1        2        5        6
       8        1        2        5        7
       9        1        2        5        8
      10        2        6        5        7
      11        2        6        5        8
      12        2        7        5        8
 
 Dihedrals 
 
       1        1        1        2        5        6
       2        1        1        2        5        7
       3        1        1        2        5        8
       4        1        3        2        5        6
       5        1        3        2        5        7
       6        1        3        2        5        8
       7        1        4        2        5        6
       8        1        4        2        5        7
       9        1        4        2        5        8
