Table 7: Calculation of energy parameters by using molecular mechanics.

Ligand SamsComplex

Energy0.1568.7
Bond0.644.94
Angle5.2258.92
Dihedral8.417.3
Vdw7.3819.42
Stretch-bend0.637.67
Electrostatic 4.30.03

Ligand SaeComplex

Energy1.9655.3
Bond0.852.5
Angle5.750.61
Dihedral8.62.96
Vdw6.56.61
Stretch-bend0.731.98
Electrostatic5.850.32

Ligand SaesComplex

Energy 4.867.12
Bond0.734.9
Angle5.3358.9
Dihedral7.558.55
Vdw5.5919.6
Stretch-bend0.75 7.6
Electrostatic7.50.04

Units Kcal/mol.