! Filename = eug_O_refi_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
!
!!!!! ADD THIS FILE TO YOUR .bonds_angles DATABLOCK  !!!!!
!!!!! THEN UPDATE THE .bonds_angles DATABLOCK HEADER !!!!!
!
! --------------------------------------------------------
!
residue EUG
!
centre  C1 
!
atom C1 C2 C3 C4 C5 C6 C7 C8 C9 O3 \
   O4
!
fragment_all C1 C2 C3 C4 C5 C6 C7 C8 C9 O3 \
   O4
!
fragment_sc C1 C2 C3 C4 C5 C6 C7 C8 C9 O3 \
   O4
!
side-chain C1 C2 C3 C4 C5 C6 C7 C8 C9 O3 \
   O4
!
! connectivity
!
connect_all C1 C2 C3 C4 C5 C6 C1 C7 C8
connect_all C3 O3 C9
connect_all C4 O4
!
! torsion-angle definitions
! note: only the first 12 torsions can be used in O
!
!
! bond lengths
!
bond_distance C1 C2 1.395 0.020
bond_distance C1 C6 1.395 0.020
bond_distance C1 C7 1.478 0.020
bond_distance C2 C3 1.382 0.020
bond_distance C3 C4 1.392 0.020
bond_distance C3 O3 1.361 0.020
bond_distance C4 C5 1.386 0.020
bond_distance C4 O4 1.360 0.020
bond_distance C5 C6 1.380 0.020
bond_distance C7 C8 1.326 0.020
bond_distance C9 O3 1.429 0.020
!
! bond angles
!
bond_angle C2 C1 C6 119.91 2.00
bond_angle C2 C1 C7 120.08 2.00
bond_angle C6 C1 C7 120.01 2.00
bond_angle C1 C2 C3 119.81 2.00
bond_angle C2 C3 C4 120.04 2.00
bond_angle C2 C3 O3 119.96 2.00
bond_angle C4 C3 O3 120.00 2.00
bond_angle C3 C4 C5 120.15 2.00
bond_angle C3 C4 O4 119.91 2.00
bond_angle C5 C4 O4 119.93 2.00
bond_angle C4 C5 C6 120.14 2.00
bond_angle C1 C6 C5 119.95 2.00
bond_angle C1 C7 C8 120.05 2.00
bond_angle C3 O3 C9 106.80 2.00
!
! dihedral angles (fixed and flexible)
!
torsion_fixed C6 C1 C2 C3 0.00 2.00
! CIS torsion - Actual value :     0.04
torsion_fixed C7 C1 C2 C3 180.00 2.00
! TRANS torsion - Actual value :  -179.94
torsion_fixed C2 C1 C6 C5 0.00 2.00
! CIS torsion - Actual value :     0.01
torsion_fixed C7 C1 C6 C5 180.00 2.00
! TRANS torsion - Actual value :   179.99
torsion_fixed C2 C1 C7 C8 180.00 2.00
! TRANS torsion - Actual value :   180.00
torsion_fixed C6 C1 C7 C8 0.00 2.00
! CIS torsion - Actual value :     0.02
torsion_fixed C1 C2 C3 C4 0.00 2.00
! CIS torsion - Actual value :     0.19
torsion_fixed C1 C2 C3 O3 180.00 2.00
! TRANS torsion - Actual value :   180.00
torsion_fixed C2 C3 C4 C5 0.00 2.00
! CIS torsion - Actual value :    -0.48
torsion_fixed C2 C3 C4 O4 180.00 2.00
! TRANS torsion - Actual value :  -179.94
torsion_fixed O3 C3 C4 C5 180.00 2.00
! TRANS torsion - Actual value :   179.71
torsion_fixed O3 C3 C4 O4 0.00 2.00
! CIS torsion - Actual value :     0.25
torsion_fixed C2 C3 O3 C9 0.00 2.00
! CIS torsion - Actual value :     0.01
torsion_fixed C4 C3 O3 C9 180.00 2.00
! TRANS torsion - Actual value :   179.82
torsion_fixed C3 C4 C5 C6 0.00 2.00
! CIS torsion - Actual value :     0.53
torsion_fixed O4 C4 C5 C6 180.00 2.00
! TRANS torsion - Actual value :   180.00
torsion_fixed C4 C5 C6 C1 0.00 2.00
! CIS torsion - Actual value :    -0.29
!
! improper torsion angles
!
torsion_fixed C1 C2 C6 C7 0.00 2.00
! Actual value :     0.01
torsion_fixed C3 C2 C4 O3 0.00 2.00
! Actual value :    -0.11
torsion_fixed C4 C3 C5 O4 0.00 2.00
! Actual value :     0.31
!