$freeze
distance  6  8
angle  8  6 22
dihedral  8  6 22 18
$set
distance  6 22 1.554
distance  8  9 1.495
distance  9 16 1.465
distance 16 18 1.548
distance 18 22 1.545
distance 27 29 1.469
distance 27 45 1.558
distance 29 30 1.495
distance 30 37 1.435
distance 37 41 1.546
angle  8  9 16 110.139
angle 16 18 22 112.113
angle 29 27 45 108.710
angle 29 30 37 111.909
dihedral  6  8  9 16 60.050
dihedral  9 16 18 22 53.538
dihedral 29 27 45 41 51.612
dihedral 27 29 30 37 57.981
$scan
distance 41 45 1.5 1.6 11
angle 37 41 45 112 118 7
dihedral 30 37 41 45 50 60 11

