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
FAF      FAF '2-ACETYLAMINO-4-METHYL-PENTANOIC ACI' non-polymer        46  22 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_FAF
#
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
 FAF           OW     O    O         0.000      0.000    0.000    0.000
 FAF           CW     C    C1        0.000     -0.264    0.508    1.063
 FAF           HW     H    H         0.000      0.513    0.977    1.643
 FAF           CA     C    CH1       0.000     -1.680    0.486    1.577
 FAF           HA     H    H         0.000     -2.036    1.517    1.714
 FAF           N      N    NH1       0.000     -2.540   -0.203    0.613
 FAF           HN     H    H         0.000     -2.678   -1.201    0.683
 FAF           C      C    C         0.000     -3.146    0.493   -0.368
 FAF           O      O    O         0.000     -2.981    1.691   -0.452
 FAF           CAL    C    CH1       0.000     -4.029   -0.217   -1.361
 FAF           HAL    H    H         0.000     -4.491   -1.091   -0.881
 FAF           CBL    C    CH2       0.000     -3.191   -0.675   -2.555
 FAF           HBL1   H    H         0.000     -2.409   -1.355   -2.210
 FAF           HBL2   H    H         0.000     -2.731    0.194   -3.030
 FAF           CGL    C    CH1       0.000     -4.088   -1.394   -3.563
 FAF           HGL    H    H         0.000     -4.874   -0.709   -3.909
 FAF           CDM    C    CH3       0.000     -4.730   -2.613   -2.895
 FAF           HDM3   H    H         0.000     -5.312   -2.297   -2.067
 FAF           HDM2   H    H         0.000     -5.351   -3.113   -3.592
 FAF           HDM1   H    H         0.000     -3.972   -3.274   -2.561
 FAF           CDL    C    CH3       0.000     -3.249   -1.852   -4.757
 FAF           HDL3   H    H         0.000     -2.804   -1.010   -5.221
 FAF           HDL2   H    H         0.000     -2.490   -2.513   -4.425
 FAF           HDL1   H    H         0.000     -3.870   -2.351   -5.456
 FAF           NL     N    NH1       0.000     -5.077    0.696   -1.822
 FAF           HL     H    H         0.000     -6.049    0.465   -1.674
 FAF           CX     C    C         0.000     -4.744    1.844   -2.445
 FAF           CAX    C    CH3       0.000     -5.823    2.784   -2.919
 FAF           HAX3   H    H         0.000     -6.445    2.286   -3.617
 FAF           HAX2   H    H         0.000     -6.405    3.101   -2.093
 FAF           HAX1   H    H         0.000     -5.380    3.627   -3.382
 FAF           OX     O    O         0.000     -3.577    2.120   -2.624
 FAF           CB     C    CH2       0.000     -1.725   -0.250    2.918
 FAF           HB1    H    H         0.000     -1.083    0.264    3.636
 FAF           HB2    H    H         0.000     -1.370   -1.274    2.781
 FAF           CG     C    CR6       0.000     -3.140   -0.272    3.433
 FAF           CD2    C    CR16      0.000     -3.595    0.746    4.247
 FAF           HD2    H    H         0.000     -2.933    1.558    4.520
 FAF           CE2    C    CR16      0.000     -4.896    0.728    4.716
 FAF           HE2    H    H         0.000     -5.255    1.531    5.348
 FAF           CZ     C    CR16      0.000     -5.738   -0.314    4.376
 FAF           HZ     H    H         0.000     -6.756   -0.330    4.746
 FAF           CE1    C    CR16      0.000     -5.281   -1.336    3.566
 FAF           HE1    H    H         0.000     -5.941   -2.153    3.300
 FAF           CD1    C    CR16      0.000     -3.982   -1.315    3.094
 FAF           HD1    H    H         0.000     -3.623   -2.116    2.460
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
 FAF      OW     n/a    CW     START
 FAF      CW     OW     CA     .
 FAF      HW     CW     .      .
 FAF      CA     CW     CB     .
 FAF      HA     CA     .      .
 FAF      N      CA     C      .
 FAF      HN     N      .      .
 FAF      C      N      CAL    .
 FAF      O      C      .      .
 FAF      CAL    C      NL     .
 FAF      HAL    CAL    .      .
 FAF      CBL    CAL    CGL    .
 FAF      HBL1   CBL    .      .
 FAF      HBL2   CBL    .      .
 FAF      CGL    CBL    CDL    .
 FAF      HGL    CGL    .      .
 FAF      CDM    CGL    HDM1   .
 FAF      HDM3   CDM    .      .
 FAF      HDM2   CDM    .      .
 FAF      HDM1   CDM    .      .
 FAF      CDL    CGL    HDL1   .
 FAF      HDL3   CDL    .      .
 FAF      HDL2   CDL    .      .
 FAF      HDL1   CDL    .      .
 FAF      NL     CAL    CX     .
 FAF      HL     NL     .      .
 FAF      CX     NL     OX     .
 FAF      CAX    CX     HAX1   .
 FAF      HAX3   CAX    .      .
 FAF      HAX2   CAX    .      .
 FAF      HAX1   CAX    .      .
 FAF      OX     CX     .      .
 FAF      CB     CA     CG     .
 FAF      HB1    CB     .      .
 FAF      HB2    CB     .      .
 FAF      CG     CB     CD2    .
 FAF      CD2    CG     CE2    .
 FAF      HD2    CD2    .      .
 FAF      CE2    CD2    CZ     .
 FAF      HE2    CE2    .      .
 FAF      CZ     CE2    CE1    .
 FAF      HZ     CZ     .      .
 FAF      CE1    CZ     CD1    .
 FAF      HE1    CE1    .      .
 FAF      CD1    CE1    HD1    .
 FAF      HD1    CD1    .      END
 FAF      CG     CD1    .    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
 FAF      OX     CX        double      1.220    0.020
 FAF      CAX    CX        single      1.500    0.020
 FAF      CX     NL        single      1.330    0.020
 FAF      HAX1   CAX       single      1.059    0.020
 FAF      HAX2   CAX       single      1.059    0.020
 FAF      HAX3   CAX       single      1.059    0.020
 FAF      NL     CAL       single      1.450    0.020
 FAF      HL     NL        single      1.010    0.020
 FAF      CBL    CAL       single      1.524    0.020
 FAF      CAL    C         single      1.500    0.020
 FAF      HAL    CAL       single      1.099    0.020
 FAF      CGL    CBL       single      1.524    0.020
 FAF      HBL1   CBL       single      1.092    0.020
 FAF      HBL2   CBL       single      1.092    0.020
 FAF      CDL    CGL       single      1.524    0.020
 FAF      CDM    CGL       single      1.524    0.020
 FAF      HGL    CGL       single      1.099    0.020
 FAF      HDL1   CDL       single      1.059    0.020
 FAF      HDL2   CDL       single      1.059    0.020
 FAF      HDL3   CDL       single      1.059    0.020
 FAF      HDM1   CDM       single      1.059    0.020
 FAF      HDM2   CDM       single      1.059    0.020
 FAF      HDM3   CDM       single      1.059    0.020
 FAF      O      C         double      1.220    0.020
 FAF      C      N         single      1.330    0.020
 FAF      N      CA        single      1.450    0.020
 FAF      HN     N         single      1.010    0.020
 FAF      CB     CA        single      1.524    0.020
 FAF      CA     CW        single      1.510    0.020
 FAF      HA     CA        single      1.099    0.020
 FAF      CG     CB        single      1.511    0.020
 FAF      HB1    CB        single      1.092    0.020
 FAF      HB2    CB        single      1.092    0.020
 FAF      CG     CD1       double      1.390    0.020
 FAF      CD2    CG        single      1.390    0.020
 FAF      CD1    CE1       single      1.390    0.020
 FAF      HD1    CD1       single      1.083    0.020
 FAF      CE2    CD2       double      1.390    0.020
 FAF      HD2    CD2       single      1.083    0.020
 FAF      CE1    CZ        double      1.390    0.020
 FAF      HE1    CE1       single      1.083    0.020
 FAF      CZ     CE2       single      1.390    0.020
 FAF      HE2    CE2       single      1.083    0.020
 FAF      HZ     CZ        single      1.083    0.020
 FAF      CW     OW        double      1.220    0.020
 FAF      HW     CW        single      1.077    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
 FAF      OW     CW     HW      123.000    3.000
 FAF      OW     CW     CA      120.500    3.000
 FAF      HW     CW     CA      120.000    3.000
 FAF      CW     CA     HA      108.810    3.000
 FAF      CW     CA     N       111.600    3.000
 FAF      CW     CA     CB      109.470    3.000
 FAF      HA     CA     N       108.550    3.000
 FAF      HA     CA     CB      108.340    3.000
 FAF      N      CA     CB      110.000    3.000
 FAF      CA     N      HN      118.500    3.000
 FAF      CA     N      C       121.500    3.000
 FAF      HN     N      C       120.000    3.000
 FAF      N      C      O       123.000    3.000
 FAF      N      C      CAL     116.500    3.000
 FAF      O      C      CAL     120.500    3.000
 FAF      C      CAL    HAL     108.810    3.000
 FAF      C      CAL    CBL     109.470    3.000
 FAF      C      CAL    NL      111.600    3.000
 FAF      HAL    CAL    CBL     108.340    3.000
 FAF      HAL    CAL    NL      108.550    3.000
 FAF      CBL    CAL    NL      110.000    3.000
 FAF      CAL    CBL    HBL1    109.470    3.000
 FAF      CAL    CBL    HBL2    109.470    3.000
 FAF      CAL    CBL    CGL     111.000    3.000
 FAF      HBL1   CBL    HBL2    107.900    3.000
 FAF      HBL1   CBL    CGL     109.470    3.000
 FAF      HBL2   CBL    CGL     109.470    3.000
 FAF      CBL    CGL    HGL     108.340    3.000
 FAF      CBL    CGL    CDM     111.000    3.000
 FAF      CBL    CGL    CDL     111.000    3.000
 FAF      HGL    CGL    CDM     108.340    3.000
 FAF      HGL    CGL    CDL     108.340    3.000
 FAF      CDM    CGL    CDL     111.000    3.000
 FAF      CGL    CDM    HDM3    109.470    3.000
 FAF      CGL    CDM    HDM2    109.470    3.000
 FAF      CGL    CDM    HDM1    109.470    3.000
 FAF      HDM3   CDM    HDM2    109.470    3.000
 FAF      HDM3   CDM    HDM1    109.470    3.000
 FAF      HDM2   CDM    HDM1    109.470    3.000
 FAF      CGL    CDL    HDL3    109.470    3.000
 FAF      CGL    CDL    HDL2    109.470    3.000
 FAF      CGL    CDL    HDL1    109.470    3.000
 FAF      HDL3   CDL    HDL2    109.470    3.000
 FAF      HDL3   CDL    HDL1    109.470    3.000
 FAF      HDL2   CDL    HDL1    109.470    3.000
 FAF      CAL    NL     HL      118.500    3.000
 FAF      CAL    NL     CX      121.500    3.000
 FAF      HL     NL     CX      120.000    3.000
 FAF      NL     CX     CAX     116.500    3.000
 FAF      NL     CX     OX      123.000    3.000
 FAF      CAX    CX     OX      123.000    3.000
 FAF      CX     CAX    HAX3    109.470    3.000
 FAF      CX     CAX    HAX2    109.470    3.000
 FAF      CX     CAX    HAX1    109.470    3.000
 FAF      HAX3   CAX    HAX2    109.470    3.000
 FAF      HAX3   CAX    HAX1    109.470    3.000
 FAF      HAX2   CAX    HAX1    109.470    3.000
 FAF      CA     CB     HB1     109.470    3.000
 FAF      CA     CB     HB2     109.470    3.000
 FAF      CA     CB     CG      109.470    3.000
 FAF      HB1    CB     HB2     107.900    3.000
 FAF      HB1    CB     CG      109.470    3.000
 FAF      HB2    CB     CG      109.470    3.000
 FAF      CB     CG     CD2     120.000    3.000
 FAF      CB     CG     CD1     120.000    3.000
 FAF      CD2    CG     CD1     120.000    3.000
 FAF      CG     CD2    HD2     120.000    3.000
 FAF      CG     CD2    CE2     120.000    3.000
 FAF      HD2    CD2    CE2     120.000    3.000
 FAF      CD2    CE2    HE2     120.000    3.000
 FAF      CD2    CE2    CZ      120.000    3.000
 FAF      HE2    CE2    CZ      120.000    3.000
 FAF      CE2    CZ     HZ      120.000    3.000
 FAF      CE2    CZ     CE1     120.000    3.000
 FAF      HZ     CZ     CE1     120.000    3.000
 FAF      CZ     CE1    HE1     120.000    3.000
 FAF      CZ     CE1    CD1     120.000    3.000
 FAF      HE1    CE1    CD1     120.000    3.000
 FAF      CE1    CD1    HD1     120.000    3.000
 FAF      CE1    CD1    CG      120.000    3.000
 FAF      HD1    CD1    CG      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
 FAF      var_1    OW     CW     CA     CB       120.023   20.000   1
 FAF      var_2    CW     CA     N      C        -89.992   20.000   3
 FAF      CONST_1  CA     N      C      CAL      180.000    0.000   0
 FAF      var_3    N      C      CAL    NL       150.007   20.000   3
 FAF      var_4    C      CAL    CBL    CGL     -179.960   20.000   3
 FAF      var_5    CAL    CBL    CGL    CDL      180.000   20.000   3
 FAF      var_6    CBL    CGL    CDM    HDM1     -59.984   20.000   3
 FAF      var_7    CBL    CGL    CDL    HDL1     179.950   20.000   3
 FAF      var_8    C      CAL    NL     CX        60.014   20.000   3
 FAF      CONST_2  CAL    NL     CX     OX         0.000    0.000   0
 FAF      var_9    NL     CX     CAX    HAX1    -179.996   20.000   1
 FAF      var_10   CW     CA     CB     CG       179.978   20.000   3
 FAF      var_11   CA     CB     CG     CD2      -90.318   20.000   2
 FAF      CONST_3  CB     CG     CD1    CE1      180.000    0.000   0
 FAF      CONST_4  CB     CG     CD2    CE2      180.000    0.000   0
 FAF      CONST_5  CG     CD2    CE2    CZ         0.000    0.000   0
 FAF      CONST_6  CD2    CE2    CZ     CE1        0.000    0.000   0
 FAF      CONST_7  CE2    CZ     CE1    CD1        0.000    0.000   0
 FAF      CONST_8  CZ     CE1    CD1    CG         0.000    0.000   0
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
 FAF      chir_01  CAL    NL     CBL    C         negativ
 FAF      chir_02  CGL    CBL    CDL    CDM       negativ
 FAF      chir_03  CA     N      CB     CW        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
 FAF      plan-1    CX        0.020
 FAF      plan-1    OX        0.020
 FAF      plan-1    CAX       0.020
 FAF      plan-1    NL        0.020
 FAF      plan-1    HL        0.020
 FAF      plan-2    NL        0.020
 FAF      plan-2    CX        0.020
 FAF      plan-2    CAL       0.020
 FAF      plan-2    HL        0.020
 FAF      plan-3    C         0.020
 FAF      plan-3    CAL       0.020
 FAF      plan-3    O         0.020
 FAF      plan-3    N         0.020
 FAF      plan-3    HN        0.020
 FAF      plan-4    N         0.020
 FAF      plan-4    C         0.020
 FAF      plan-4    CA        0.020
 FAF      plan-4    HN        0.020
 FAF      plan-5    CG        0.020
 FAF      plan-5    CB        0.020
 FAF      plan-5    CD1       0.020
 FAF      plan-5    CD2       0.020
 FAF      plan-5    CE1       0.020
 FAF      plan-5    CE2       0.020
 FAF      plan-5    CZ        0.020
 FAF      plan-5    HD1       0.020
 FAF      plan-5    HD2       0.020
 FAF      plan-5    HE1       0.020
 FAF      plan-5    HE2       0.020
 FAF      plan-5    HZ        0.020
 FAF      plan-6    CW        0.020
 FAF      plan-6    CA        0.020
 FAF      plan-6    OW        0.020
 FAF      plan-6    HW        0.020
# ------------------------------------------------------
