global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
CFV      CFV '"[(2R)-1-(4-amino-2-oxo-pyrimidin-1-' non-polymer        32  18 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CFV
#
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 CFV           OAI    O    O         0.000      0.000    0.000    0.000
 CFV           CAH    C    CR6       0.000     -0.458    0.069    1.129
 CFV           NAG    N    NRD6      0.000      0.012    0.988    1.971
 CFV           CAE    C    CR6       0.000     -0.464    1.081    3.206
 CFV           NAF    N    NH2       0.000      0.033    2.030    4.069
 CFV           HNAA   H    H         0.000      0.765    2.664    3.768
 CFV           HNAF   H    H         0.000     -0.328    2.104    5.014
 CFV           CAD    C    CR16      0.000     -1.482    0.202    3.628
 CFV           HAD    H    H         0.000     -1.881    0.265    4.633
 CFV           CAC    C    CR16      0.000     -1.953   -0.723    2.759
 CFV           HAC    H    H         0.000     -2.735   -1.410    3.060
 CFV           NAB    N    NR6       0.000     -1.432   -0.780    1.500
 CFV           CAA    C    CH2       0.000     -1.933   -1.776    0.550
 CFV           HAA    H    H         0.000     -2.268   -2.662    1.095
 CFV           HAAA   H    H         0.000     -1.134   -2.055   -0.139
 CFV           CAJ    C    CH1       0.000     -3.105   -1.186   -0.237
 CFV           HAJ    H    H         0.000     -3.872   -0.824    0.463
 CFV           CAQ    C    CH2       0.000     -3.708   -2.264   -1.140
 CFV           HAQ    H    H         0.000     -4.486   -1.822   -1.765
 CFV           HAQA   H    H         0.000     -4.142   -3.054   -0.523
 CFV           OAR    O    OH1       0.000     -2.685   -2.815   -1.970
 CFV           HOAR   H    H         0.000     -3.066   -3.496   -2.541
 CFV           OAK    O    O2        0.000     -2.641   -0.097   -1.038
 CFV           CAL    C    CH2       0.000     -3.623    0.916   -1.266
 CFV           HAL    H    H         0.000     -4.573    0.448   -1.529
 CFV           HALA   H    H         0.000     -3.296    1.560   -2.084
 CFV           PAM    P    P         0.000     -3.831    1.911    0.248
 CFV           OAO    O    O         0.000     -2.542    2.544    0.604
 CFV           OAP    O    OH1       0.000     -4.313    0.959    1.453
 CFV           HOAP   H    H         0.000     -5.143    0.468    1.379
 CFV           OAN    O    OH1       0.000     -4.937    3.053   -0.009
 CFV           HOAN   H    H         0.000     -5.168    3.670    0.699
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 CFV      OAI    n/a    CAH    START
 CFV      CAH    OAI    NAB    .
 CFV      NAG    CAH    CAE    .
 CFV      CAE    NAG    CAD    .
 CFV      NAF    CAE    HNAF   .
 CFV      HNAA   NAF    .      .
 CFV      HNAF   NAF    .      .
 CFV      CAD    CAE    CAC    .
 CFV      HAD    CAD    .      .
 CFV      CAC    CAD    HAC    .
 CFV      HAC    CAC    .      .
 CFV      NAB    CAH    CAA    .
 CFV      CAA    NAB    CAJ    .
 CFV      HAA    CAA    .      .
 CFV      HAAA   CAA    .      .
 CFV      CAJ    CAA    OAK    .
 CFV      HAJ    CAJ    .      .
 CFV      CAQ    CAJ    OAR    .
 CFV      HAQ    CAQ    .      .
 CFV      HAQA   CAQ    .      .
 CFV      OAR    CAQ    HOAR   .
 CFV      HOAR   OAR    .      .
 CFV      OAK    CAJ    CAL    .
 CFV      CAL    OAK    PAM    .
 CFV      HAL    CAL    .      .
 CFV      HALA   CAL    .      .
 CFV      PAM    CAL    OAN    .
 CFV      OAO    PAM    .      .
 CFV      OAP    PAM    HOAP   .
 CFV      HOAP   OAP    .      .
 CFV      OAN    PAM    HOAN   .
 CFV      HOAN   OAN    .      END
 CFV      NAB    CAC    .    ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 CFV      OAN    PAM       single      1.610    0.020
 CFV      OAO    PAM       double      1.480    0.020
 CFV      OAP    PAM       single      1.610    0.020
 CFV      PAM    CAL       single      1.812    0.020
 CFV      CAL    OAK       single      1.426    0.020
 CFV      OAK    CAJ       single      1.426    0.020
 CFV      CAQ    CAJ       single      1.524    0.020
 CFV      CAJ    CAA       single      1.524    0.020
 CFV      OAR    CAQ       single      1.432    0.020
 CFV      CAA    NAB       single      1.465    0.020
 CFV      NAB    CAC       single      1.337    0.020
 CFV      NAB    CAH       single      1.410    0.020
 CFV      CAC    CAD       double      1.390    0.020
 CFV      CAD    CAE       single      1.390    0.020
 CFV      NAF    CAE       single      1.355    0.020
 CFV      CAE    NAG       double      1.350    0.020
 CFV      NAG    CAH       single      1.350    0.020
 CFV      CAH    OAI       double      1.250    0.020
 CFV      HOAN   OAN       single      0.967    0.020
 CFV      HOAP   OAP       single      0.967    0.020
 CFV      HAL    CAL       single      1.092    0.020
 CFV      HALA   CAL       single      1.092    0.020
 CFV      HAJ    CAJ       single      1.099    0.020
 CFV      HAQ    CAQ       single      1.092    0.020
 CFV      HAQA   CAQ       single      1.092    0.020
 CFV      HOAR   OAR       single      0.967    0.020
 CFV      HAA    CAA       single      1.092    0.020
 CFV      HAAA   CAA       single      1.092    0.020
 CFV      HAC    CAC       single      1.083    0.020
 CFV      HAD    CAD       single      1.083    0.020
 CFV      HNAF   NAF       single      1.010    0.020
 CFV      HNAA   NAF       single      1.010    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 CFV      OAI    CAH    NAG     120.000    3.000
 CFV      OAI    CAH    NAB     120.000    3.000
 CFV      NAG    CAH    NAB     120.000    3.000
 CFV      CAH    NAG    CAE     120.000    3.000
 CFV      NAG    CAE    NAF     120.000    3.000
 CFV      NAG    CAE    CAD     120.000    3.000
 CFV      NAF    CAE    CAD     120.000    3.000
 CFV      CAE    NAF    HNAA    120.000    3.000
 CFV      CAE    NAF    HNAF    120.000    3.000
 CFV      HNAA   NAF    HNAF    120.000    3.000
 CFV      CAE    CAD    HAD     120.000    3.000
 CFV      CAE    CAD    CAC     120.000    3.000
 CFV      HAD    CAD    CAC     120.000    3.000
 CFV      CAD    CAC    HAC     120.000    3.000
 CFV      CAD    CAC    NAB     120.000    3.000
 CFV      HAC    CAC    NAB     120.000    3.000
 CFV      CAH    NAB    CAA     120.000    3.000
 CFV      CAH    NAB    CAC     120.000    3.000
 CFV      CAA    NAB    CAC     120.000    3.000
 CFV      NAB    CAA    HAA     109.470    3.000
 CFV      NAB    CAA    HAAA    109.470    3.000
 CFV      NAB    CAA    CAJ     109.470    3.000
 CFV      HAA    CAA    HAAA    107.900    3.000
 CFV      HAA    CAA    CAJ     109.470    3.000
 CFV      HAAA   CAA    CAJ     109.470    3.000
 CFV      CAA    CAJ    HAJ     108.340    3.000
 CFV      CAA    CAJ    CAQ     109.470    3.000
 CFV      CAA    CAJ    OAK     109.470    3.000
 CFV      HAJ    CAJ    CAQ     108.340    3.000
 CFV      HAJ    CAJ    OAK     109.470    3.000
 CFV      CAQ    CAJ    OAK     109.470    3.000
 CFV      CAJ    CAQ    HAQ     109.470    3.000
 CFV      CAJ    CAQ    HAQA    109.470    3.000
 CFV      CAJ    CAQ    OAR     109.470    3.000
 CFV      HAQ    CAQ    HAQA    107.900    3.000
 CFV      HAQ    CAQ    OAR     109.470    3.000
 CFV      HAQA   CAQ    OAR     109.470    3.000
 CFV      CAQ    OAR    HOAR    109.470    3.000
 CFV      CAJ    OAK    CAL     111.800    3.000
 CFV      OAK    CAL    HAL     109.470    3.000
 CFV      OAK    CAL    HALA    109.470    3.000
 CFV      OAK    CAL    PAM     109.500    3.000
 CFV      HAL    CAL    HALA    107.900    3.000
 CFV      HAL    CAL    PAM     109.500    3.000
 CFV      HALA   CAL    PAM     109.500    3.000
 CFV      CAL    PAM    OAO     109.500    3.000
 CFV      CAL    PAM    OAP     109.500    3.000
 CFV      CAL    PAM    OAN     109.500    3.000
 CFV      OAO    PAM    OAP     109.500    3.000
 CFV      OAO    PAM    OAN     109.500    3.000
 CFV      OAP    PAM    OAN     109.500    3.000
 CFV      PAM    OAP    HOAP    120.000    3.000
 CFV      PAM    OAN    HOAN    120.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 CFV      CONST_1  OAI    CAH    NAG    CAE      180.000    0.000   0
 CFV      CONST_2  CAH    NAG    CAE    CAD        0.000    0.000   0
 CFV      CONST_3  NAG    CAE    NAF    HNAF     179.990    0.000   0
 CFV      CONST_4  NAG    CAE    CAD    CAC        0.000    0.000   0
 CFV      CONST_5  CAE    CAD    CAC    NAB        0.000    0.000   0
 CFV      CONST_6  OAI    CAH    NAB    CAA        0.000    0.000   0
 CFV      CONST_7  CAH    NAB    CAC    CAD        0.000    0.000   0
 CFV      var_1    CAH    NAB    CAA    CAJ      -90.254   20.000   1
 CFV      var_2    NAB    CAA    CAJ    OAK       64.935   20.000   3
 CFV      var_3    CAA    CAJ    CAQ    OAR      -55.057   20.000   3
 CFV      var_4    CAJ    CAQ    OAR    HOAR    -179.976   20.000   1
 CFV      var_5    CAA    CAJ    OAK    CAL     -149.994   20.000   1
 CFV      var_6    CAJ    OAK    CAL    PAM       75.056   20.000   1
 CFV      var_7    OAK    CAL    PAM    OAN     -179.984   20.000   1
 CFV      var_8    CAL    PAM    OAP    HOAP     -59.992   20.000   1
 CFV      var_9    CAL    PAM    OAN    HOAN     179.977   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 CFV      chir_01  CAJ    OAK    CAQ    CAA       negativ
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 CFV      plan-1    NAB       0.020
 CFV      plan-1    CAA       0.020
 CFV      plan-1    CAC       0.020
 CFV      plan-1    CAH       0.020
 CFV      plan-1    CAD       0.020
 CFV      plan-1    CAE       0.020
 CFV      plan-1    NAG       0.020
 CFV      plan-1    HAC       0.020
 CFV      plan-1    HAD       0.020
 CFV      plan-1    NAF       0.020
 CFV      plan-1    OAI       0.020
 CFV      plan-1    HNAA      0.020
 CFV      plan-1    HNAF      0.020
 CFV      plan-2    NAF       0.020
 CFV      plan-2    CAE       0.020
 CFV      plan-2    HNAF      0.020
 CFV      plan-2    HNAA      0.020
# ------------------------------------------------------
