############################# ## Atom Type Definitions ## ############################# atom 88 47 CM "Alkene H2-C=" 6 12.011 3 atom 89 46 HC "Alkene H-C=" 1 1.008 1 vdw 88 3.5500 0.0760 vdw 89 2.4200 0.0300 bond 46 47 340.00 1.0800 bond 47 47 549.00 1.3400 angle 46 47 46 35.00 117.00 angle 46 47 47 35.00 120.00 torsion 47 46 47 46 0.000 0.0 1 -8.000 180.0 2 0.000 0.0 3 torsion 0 47 47 0 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3 torsion 46 47 47 46 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3 imptors 0 0 47 0 30.000 180.0 2 charge 88 -0.2300 charge 89 0.1150