/**
		 * Sets the bond energy.
		 * 
		 * @param mol the mol
		 * @param bondEnergy the bond energy
		 * 
		 * @return the i atom container
		 */

		private IAtomContainer setBondEnergy(IAtomContainer origMol, IAtomContainer mol, Double bondEnergy)
		{
			var props = mol.getProperties();
			var bondEnergyOrig = (String)origMol.getProperty("BondEnergy");
			if (bondEnergyOrig != null)
			{
                var sumEnergy = Convert.ToDouble(bondEnergyOrig, CultureInfo.InvariantCulture) + bondEnergy;
				props.put("BondEnergy", sumEnergy.ToString(CultureInfo.InvariantCulture));
			}
			else
			{
				props.put("BondEnergy", bondEnergy.ToString(CultureInfo.InvariantCulture));
			}

			mol.setProperties(props);
			return mol;
		}