Harmonic restraints example for your system distance and dihedral &rst iat=4280,15660, r1=2.0, r2=2.5, r3=2.5, r4=3.0, rk2=10.0, rk3=10.0,/ &rst iat=4281,15660, r1=1.0, r2=1.5, r3=1.5, r4=3.0, rk2=10.0, rk3=10.0,/ &rst iat=2330,15661, r1=3.0, r2=3.2, r3=3.2, r4=3.6, rk2=10.0, rk3=10.0,/ &rst iat=2329,15661, r1=3.0, r2=3.2, r3=3.2, r4=3.6, rk2=10.0, rk3=10.0,/ &rst iat=4279,4278,4280,4281, r1=-10.0, r2=0.0, r3=0.0, r4=10.0, rk2=10.0, rk3=10.0,/