! Filename = eug_tnt_dict.txt ! Created by XPLO2D V. 050802/3.3.2 at Fri Feb 29 19:52:34 2008 for A. Nonymous ! Auto-generated by XPLO2D from file eug_msd.pdb ! ! Note: impropers are mapped to TRIGONAL (-17 to +17), ! or CHIRAL (+-55 to +-17) restraints. Values ! outside these ranges yield an error message ! ! Note: PLANES are derived from 0 or +- 180 torsions ! and are implemented as sets of 4-atom planes. ! You can merge these into larger planes manually. ! Also note that cis and trans can NOT be ! distinguished by a PLANE restraint ! If this ! is important, use a TORSION 1000 or 1180 ! restraint instead of the corresponding PLANE ! ! ! Note: non-flat torsion angles lead to a TORSION ! restraint which is commented out by a # sign. ! To include such restraints in your refinement, ! remove the # sign(s). Also note that all such ! torsions by default have a periodicity of 1 ! ! ! ! BOND restraints ! GEOMETRY EUG BOND 1.395 0.020 C1 C2 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C1 C2 GEOMETRY EUG BOND 1.395 0.020 C1 C6 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C1 C6 GEOMETRY EUG BOND 1.478 0.020 C1 C7 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C1 C7 GEOMETRY EUG BOND 1.382 0.020 C2 C3 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C2 C3 GEOMETRY EUG BOND 1.392 0.020 C3 C4 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C3 C4 GEOMETRY EUG BOND 1.361 0.020 C3 O3 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C3 O3 GEOMETRY EUG BOND 1.386 0.020 C4 C5 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C4 C5 GEOMETRY EUG BOND 1.360 0.020 C4 O4 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C4 O4 GEOMETRY EUG BOND 1.380 0.020 C5 C6 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C5 C6 GEOMETRY EUG BOND 1.326 0.020 C7 C8 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C7 C8 GEOMETRY EUG BOND 1.429 0.020 C9 O3 ! Nobs = 1 GEOMETRY EUG BCORREL 0.000 10.000 C9 O3 ! ! ANGLE restraints ! GEOMETRY EUG ANGLE 119.906 2.000 C2 C1 C6 ! Nobs = 1 GEOMETRY EUG ANGLE 120.085 2.000 C2 C1 C7 ! Nobs = 1 GEOMETRY EUG ANGLE 120.010 2.000 C6 C1 C7 ! Nobs = 1 GEOMETRY EUG ANGLE 119.811 2.000 C1 C2 C3 ! Nobs = 1 GEOMETRY EUG ANGLE 120.040 2.000 C2 C3 C4 ! Nobs = 1 GEOMETRY EUG ANGLE 119.957 2.000 C2 C3 O3 ! Nobs = 1 GEOMETRY EUG ANGLE 120.003 2.000 C4 C3 O3 ! Nobs = 1 GEOMETRY EUG ANGLE 120.150 2.000 C3 C4 C5 ! Nobs = 1 GEOMETRY EUG ANGLE 119.914 2.000 C3 C4 O4 ! Nobs = 1 GEOMETRY EUG ANGLE 119.934 2.000 C5 C4 O4 ! Nobs = 1 GEOMETRY EUG ANGLE 120.140 2.000 C4 C5 C6 ! Nobs = 1 GEOMETRY EUG ANGLE 119.951 2.000 C1 C6 C5 ! Nobs = 1 GEOMETRY EUG ANGLE 120.048 2.000 C1 C7 C8 ! Nobs = 1 GEOMETRY EUG ANGLE 106.803 2.000 C3 O3 C9 ! Nobs = 1 ! ! TORSION and PLANE restraints ! GEOMETRY EUG PLANE 4 0.02 C6 C1 C2 C3 ! Torsion Nobs = 1 ... Value = 0.04 GEOMETRY EUG PLANE 4 0.02 C7 C1 C2 C3 ! Torsion Nobs = 1 ... Value = -179.94 GEOMETRY EUG PLANE 4 0.02 C2 C1 C6 C5 ! Torsion Nobs = 1 ... Value = 0.01 GEOMETRY EUG PLANE 4 0.02 C7 C1 C6 C5 ! Torsion Nobs = 1 ... Value = 179.99 GEOMETRY EUG PLANE 4 0.02 C2 C1 C7 C8 ! Torsion Nobs = 1 ... Value = 180.00 GEOMETRY EUG PLANE 4 0.02 C6 C1 C7 C8 ! Torsion Nobs = 1 ... Value = 0.02 GEOMETRY EUG PLANE 4 0.02 C1 C2 C3 C4 ! Torsion Nobs = 1 ... Value = 0.19 GEOMETRY EUG PLANE 4 0.02 C1 C2 C3 O3 ! Torsion Nobs = 1 ... Value = 180.00 GEOMETRY EUG PLANE 4 0.02 C2 C3 C4 C5 ! Torsion Nobs = 1 ... Value = -0.48 GEOMETRY EUG PLANE 4 0.02 C2 C3 C4 O4 ! Torsion Nobs = 1 ... Value = -179.94 GEOMETRY EUG PLANE 4 0.02 O3 C3 C4 C5 ! Torsion Nobs = 1 ... Value = 179.71 GEOMETRY EUG PLANE 4 0.02 O3 C3 C4 O4 ! Torsion Nobs = 1 ... Value = 0.25 GEOMETRY EUG PLANE 4 0.02 C2 C3 O3 C9 ! Torsion Nobs = 1 ... Value = 0.01 GEOMETRY EUG PLANE 4 0.02 C4 C3 O3 C9 ! Torsion Nobs = 1 ... Value = 179.82 GEOMETRY EUG PLANE 4 0.02 C3 C4 C5 C6 ! Torsion Nobs = 1 ... Value = 0.53 GEOMETRY EUG PLANE 4 0.02 O4 C4 C5 C6 ! Torsion Nobs = 1 ... Value = 180.00 GEOMETRY EUG PLANE 4 0.02 C4 C5 C6 C1 ! Torsion Nobs = 1 ... Value = -0.29 ! ! CHIRAL and TRIGONAL restraints ! GEOMETRY EUG TRIGONAL 0 0.02 C1 C2 C6 C7 ! Nobs = 1 ... Value = 0.01 GEOMETRY EUG TRIGONAL 0 0.02 C3 C2 C4 O3 ! Nobs = 1 ... Value = -0.11 GEOMETRY EUG TRIGONAL 0 0.02 C4 C3 C5 O4 ! Nobs = 1 ... Value = 0.31 !