! Filename = oct_tnt_dict.txt
! Created by XPLO2D V. 050802/3.3.2 at Sun Mar 2 04:05:41 2008 for A. Nonymous
! Auto-generated by XPLO2D from file oct_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 OCT BOND    1.529    0.020   C1   C2  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C1   C2
GEOMETRY OCT BOND    1.529    0.020   C2   C3  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C2   C3
GEOMETRY OCT BOND    1.530    0.020   C3   C4  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C3   C4
GEOMETRY OCT BOND    1.528    0.020   C4   C5  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C4   C5
GEOMETRY OCT BOND    1.530    0.020   C5   C6  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C5   C6
GEOMETRY OCT BOND    1.529    0.020   C6   C7  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C6   C7
GEOMETRY OCT BOND    1.529    0.020   C7   C8  ! Nobs =    1
GEOMETRY OCT BCORREL    0.000   10.000   C7   C8
!
! ANGLE restraints
!
GEOMETRY OCT ANGLE  109.500    2.000   C1   C2   C3  ! Nobs =    1
GEOMETRY OCT ANGLE  109.521    2.000   C2   C3   C4  ! Nobs =    1
GEOMETRY OCT ANGLE  109.528    2.000   C3   C4   C5  ! Nobs =    1
GEOMETRY OCT ANGLE  109.528    2.000   C4   C5   C6  ! Nobs =    1
GEOMETRY OCT ANGLE  109.521    2.000   C5   C6   C7  ! Nobs =    1
GEOMETRY OCT ANGLE  109.500    2.000   C6   C7   C8  ! Nobs =    1
!
! TORSION and PLANE restraints
!
GEOMETRY OCT PLANE  4     0.02   C1   C2   C3   C4  ! Torsion Nobs =    1 ... Value =  -180.00
GEOMETRY OCT PLANE  4     0.02   C2   C3   C4   C5  ! Torsion Nobs =    1 ... Value =  -180.00
GEOMETRY OCT PLANE  4     0.02   C3   C4   C5   C6  ! Torsion Nobs =    1 ... Value =  -180.00
GEOMETRY OCT PLANE  4     0.02   C4   C5   C6   C7  ! Torsion Nobs =    1 ... Value =  -180.00
GEOMETRY OCT PLANE  4     0.02   C5   C6   C7   C8  ! Torsion Nobs =    1 ... Value =  -180.00
!