LAMMPS molecule file. decane (UA)
6 atoms
5 bonds
4 angles
3 dihedrals

Coords

1 -2.4480 0.7054 0.3533
2 -1.3541 0.3731 -0.6618
3 -0.5866 -0.9097 -0.2963
4 0.4520 -0.7003 0.8285
5 1.8966 -0.5830 0.3143
6 2.1383 0.6893 -0.4951

Types

1 3
2 4
3 4
4 4
5 4
6 3

#1 1
#2 2
#3 2
#4 2
#5 2
#6 1

Bonds

1 1 1 2
2 1 2 3
3 1 3 4
4 1 4 5
5 1 5 6

Angles

1 1 1 2 3
2 1 2 3 4
3 1 3 4 5
4 1 4 5 6

Dihedrals

1 1 1 2 3 4
2 1 2 3 4 5
3 1 3 4 5 6