source leaprc.ff03
source leaprc.gaff
loadoff benz.lib

complex = loadpdb 181L_mod.pdb
solvatebox complex TIP3PBOX 12
addions complex Cl- 0
savepdb complex complex.pdb

ligand = copy BNZ
solvatebox ligand TIP3PBOX 12
savepdb ligand ligand.pdb