! Filename = ste_tnt_dict.txt ! Created by XPLO2D V. 050802/3.3.2 at Sun Mar 2 22:25:47 2008 for A. Nonymous ! Auto-generated by XPLO2D from file ste_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 STE BOND 1.208 0.020 C1 O1 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C1 O1 GEOMETRY STE BOND 1.341 0.020 C1 O2 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C1 O2 GEOMETRY STE BOND 1.507 0.020 C1 C2 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C1 C2 GEOMETRY STE BOND 1.529 0.020 C2 C3 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C2 C3 GEOMETRY STE BOND 1.530 0.020 C3 C4 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C3 C4 GEOMETRY STE BOND 1.530 0.020 C4 C5 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C4 C5 GEOMETRY STE BOND 1.530 0.020 C5 C6 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C5 C6 GEOMETRY STE BOND 1.530 0.020 C6 C7 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C6 C7 GEOMETRY STE BOND 1.530 0.020 C7 C8 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C7 C8 GEOMETRY STE BOND 1.528 0.020 C8 C9 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C8 C9 GEOMETRY STE BOND 1.530 0.020 C9 C10 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C9 C10 GEOMETRY STE BOND 1.529 0.020 C10 C11 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C10 C11 GEOMETRY STE BOND 1.530 0.020 C11 C12 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C11 C12 GEOMETRY STE BOND 1.530 0.020 C12 C13 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C12 C13 GEOMETRY STE BOND 1.530 0.020 C13 C14 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C13 C14 GEOMETRY STE BOND 1.529 0.020 C14 C15 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C14 C15 GEOMETRY STE BOND 1.530 0.020 C15 C16 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C15 C16 GEOMETRY STE BOND 1.529 0.020 C16 C17 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C16 C17 GEOMETRY STE BOND 1.530 0.020 C17 C18 ! Nobs = 1 GEOMETRY STE BCORREL 0.000 10.000 C17 C18 ! ! ANGLE restraints ! GEOMETRY STE ANGLE 119.988 2.000 O1 C1 O2 ! Nobs = 1 GEOMETRY STE ANGLE 119.942 2.000 O1 C1 C2 ! Nobs = 1 GEOMETRY STE ANGLE 120.070 2.000 O2 C1 C2 ! Nobs = 1 GEOMETRY STE ANGLE 109.545 2.000 C1 C2 C3 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C2 C3 C4 ! Nobs = 1 GEOMETRY STE ANGLE 109.510 2.000 C3 C4 C5 ! Nobs = 1 GEOMETRY STE ANGLE 109.479 2.000 C4 C5 C6 ! Nobs = 1 GEOMETRY STE ANGLE 109.479 2.000 C5 C6 C7 ! Nobs = 1 GEOMETRY STE ANGLE 109.510 2.000 C6 C7 C8 ! Nobs = 1 GEOMETRY STE ANGLE 109.518 2.000 C7 C8 C9 ! Nobs = 1 GEOMETRY STE ANGLE 109.518 2.000 C8 C9 C10 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C9 C10 C11 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C10 C11 C12 ! Nobs = 1 GEOMETRY STE ANGLE 109.510 2.000 C11 C12 C13 ! Nobs = 1 GEOMETRY STE ANGLE 109.510 2.000 C12 C13 C14 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C13 C14 C15 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C14 C15 C16 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C15 C16 C17 ! Nobs = 1 GEOMETRY STE ANGLE 109.540 2.000 C16 C17 C18 ! Nobs = 1 ! ! TORSION and PLANE restraints ! GEOMETRY STE PLANE 4 0.02 O1 C1 C2 C3 ! Torsion Nobs = 1 ... Value = -0.07 GEOMETRY STE PLANE 4 0.02 O2 C1 C2 C3 ! Torsion Nobs = 1 ... Value = -179.96 GEOMETRY STE PLANE 4 0.02 C1 C2 C3 C4 ! Torsion Nobs = 1 ... Value = 180.00 GEOMETRY STE PLANE 4 0.02 C2 C3 C4 C5 ! Torsion Nobs = 1 ... Value = 180.00 GEOMETRY STE PLANE 4 0.02 C3 C4 C5 C6 ! Torsion Nobs = 1 ... Value = -179.96 GEOMETRY STE PLANE 4 0.02 C4 C5 C6 C7 ! Torsion Nobs = 1 ... Value = -180.00 GEOMETRY STE PLANE 4 0.02 C5 C6 C7 C8 ! Torsion Nobs = 1 ... Value = 179.96 GEOMETRY STE PLANE 4 0.02 C6 C7 C8 C9 ! Torsion Nobs = 1 ... Value = -180.00 GEOMETRY STE PLANE 4 0.02 C7 C8 C9 C10 ! Torsion Nobs = 1 ... Value = -179.96 GEOMETRY STE PLANE 4 0.02 C8 C9 C10 C11 ! Torsion Nobs = 1 ... Value = -180.00 GEOMETRY STE PLANE 4 0.02 C9 C10 C11 C12 ! Torsion Nobs = 1 ... Value = 179.96 GEOMETRY STE PLANE 4 0.02 C10 C11 C12 C13 ! Torsion Nobs = 1 ... Value = 180.00 GEOMETRY STE PLANE 4 0.02 C11 C12 C13 C14 ! Torsion Nobs = 1 ... Value = -179.96 GEOMETRY STE PLANE 4 0.02 C12 C13 C14 C15 ! Torsion Nobs = 1 ... Value = -180.00 GEOMETRY STE PLANE 4 0.02 C13 C14 C15 C16 ! Torsion Nobs = 1 ... Value = 179.96 GEOMETRY STE PLANE 4 0.02 C14 C15 C16 C17 ! Torsion Nobs = 1 ... Value = -180.00 GEOMETRY STE PLANE 4 0.02 C15 C16 C17 C18 ! Torsion Nobs = 1 ... Value = -179.96 ! ! CHIRAL and TRIGONAL restraints ! GEOMETRY STE TRIGONAL 0 0.02 C1 O1 O2 C2 ! Nobs = 1 ... Value = 0.07 !