# Caffeine CG file

7 atoms
7 bonds
3 impropers


Coords

1   -2.090000 6.100000 40.200001
2   -0.640000 4.130000 39.809998
3   -0.220000 1.750000 40.000000
4   -2.490000 1.190000 40.949997
5   -3.400000 3.380000 41.300003
6   -5.220000 4.320000 42.049999
7   -5.340000 1.500000 42.129997

Types

1 1 
2 2 
3 3 
4 4
5 5
6 6
7 7

Bonds

1 1 1 2
2 2 1 5
3 3 2 3
4 4 3 4 
5 5 4 5
6 6 5 6
7 7 5 7


Impropers

1 1 1 2 3 4
2 2 2 3 4 5
3 3 1 5 6 7

Special Bond Counts

1 2 4 0
2 2 2 2
3 2 2 2
4 2 4 0
5 4 2 0
6 1 3 2
7 1 3 2

Special Bonds

1 2 5 3 4 6 7
2 1 3 4 5 6 7
3 2 4 1 5 6 7
4 3 5 2 6 7 1
5 1 4 6 7 2 3
6 5 1 4 7 2 3
7 5 1 4 6 2 3