############################# ## 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 atom 90 48 CA "Aromatic C" 6 12.011 3 atom 91 49 HA "Aromatic H-C" 1 1.008 1 vdw 88 3.5500 0.0760 vdw 89 2.4200 0.0300 vdw 90 3.5500 0.0700 vdw 91 2.4200 0.0300 bond 46 47 340.00 1.0800 bond 47 47 549.00 1.3400 bond 48 48 469.00 1.4000 bond 48 49 367.00 1.0800 angle 46 47 46 35.00 117.00 angle 46 47 47 35.00 120.00 angle 48 48 48 63.00 120.00 angle 48 48 49 35.00 120.00 torsion 46 47 47 46 0.000 0.0 1 14.000 180.0 2 0.000 0.0 3 torsion 48 48 48 48 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3 torsion 49 48 48 49 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3 torsion 48 48 48 49 0.000 0.0 1 7.250 180.0 2 0.000 0.0 3 imptors 0 0 47 0 30.000 180.0 2 imptors 0 0 48 0 5.000 180.0 2 charge 88 -0.2300 charge 89 0.1150 charge 90 -0.1150 charge 91 0.1150