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
HYM      HYM '(4Z)-4-(2-AMINO-5-OXO-3,5-DIHYDRO-4H' non-polymer        29  20 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HYM
#
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
 HYM           OAR    O    O         0.000      0.000    0.000    0.000
 HYM           CAM    C    CR5       0.000      0.112    0.558   -1.079
 HYM           NAN    N    NRD5      0.000      1.251    0.841   -1.724
 HYM           CAO    C    CR5       0.000      0.997    1.448   -2.863
 HYM           NAQ    N    NH2       0.000      1.956    1.864   -3.746
 HYM           HAQ2   H    H         0.000      1.690    2.327   -4.607
 HYM           HAQ1   H    H         0.000      2.936    1.712   -3.544
 HYM           NAP    N    NR15      0.000     -0.340    1.614   -3.046
 HYM           HAP    H    H         0.000     -0.800    2.069   -3.860
 HYM           CAL    C    CR5       0.000     -0.983    1.057   -1.936
 HYM           CAJ    C    C         0.000     -2.317    0.995   -1.695
 HYM           CAI    C    CH2       0.000     -3.327    1.555   -2.678
 HYM           HAI2   H    H         0.000     -3.749    0.743   -3.273
 HYM           HAI1   H    H         0.000     -2.835    2.272   -3.339
 HYM           CAE    C    CR5       0.000     -2.850    0.375   -0.477
 HYM           CAB    C    CR5       0.000     -2.845   -0.954   -0.050
 HYM           CLB    CL   CL        0.000     -2.070   -2.285   -0.851
 HYM           CAA    C    CR5       0.000     -3.559   -1.016    1.104
 HYM           CLA    CL   CL        0.000     -3.854   -2.458    2.025
 HYM           NAC    N    NR15      0.000     -4.008    0.232    1.425
 HYM           HAC    H    H         0.000     -4.602    0.470    2.245
 HYM           CAD    C    CR5       0.000     -3.553    1.111    0.497
 HYM           CAF    C    C         0.000     -3.678    2.571    0.400
 HYM           OAK    O    O         0.000     -3.535    3.283    1.377
 HYM           NAG    N    NH1       0.000     -3.957    3.099   -0.821
 HYM           HAG    H    H         0.000     -3.822    4.087   -0.980
 HYM           CAH    C    CH2       0.000     -4.447    2.258   -1.903
 HYM           HAH2   H    H         0.000     -5.017    2.895   -2.582
 HYM           HAH1   H    H         0.000     -5.111    1.510   -1.463
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
 HYM      OAR    n/a    CAM    START
 HYM      CAM    OAR    CAL    .
 HYM      NAN    CAM    CAO    .
 HYM      CAO    NAN    NAP    .
 HYM      NAQ    CAO    HAQ1   .
 HYM      HAQ2   NAQ    .      .
 HYM      HAQ1   NAQ    .      .
 HYM      NAP    CAO    HAP    .
 HYM      HAP    NAP    .      .
 HYM      CAL    CAM    CAJ    .
 HYM      CAJ    CAL    CAE    .
 HYM      CAI    CAJ    HAI1   .
 HYM      HAI2   CAI    .      .
 HYM      HAI1   CAI    .      .
 HYM      CAE    CAJ    CAD    .
 HYM      CAB    CAE    CAA    .
 HYM      CLB    CAB    .      .
 HYM      CAA    CAB    NAC    .
 HYM      CLA    CAA    .      .
 HYM      NAC    CAA    HAC    .
 HYM      HAC    NAC    .      .
 HYM      CAD    CAE    CAF    .
 HYM      CAF    CAD    NAG    .
 HYM      OAK    CAF    .      .
 HYM      NAG    CAF    CAH    .
 HYM      HAG    NAG    .      .
 HYM      CAH    NAG    HAH1   .
 HYM      HAH2   CAH    .      .
 HYM      HAH1   CAH    .      END
 HYM      CAI    CAH    .    ADD
 HYM      CAD    NAC    .    ADD
 HYM      CAL    NAP    .    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
 HYM      CAI    CAH       single      1.524    0.020
 HYM      CAI    CAJ       single      1.510    0.020
 HYM      HAI1   CAI       single      1.092    0.020
 HYM      HAI2   CAI       single      1.092    0.020
 HYM      CAH    NAG       single      1.450    0.020
 HYM      HAH1   CAH       single      1.092    0.020
 HYM      HAH2   CAH       single      1.092    0.020
 HYM      NAG    CAF       single      1.330    0.020
 HYM      HAG    NAG       single      1.010    0.020
 HYM      OAK    CAF       double      1.220    0.020
 HYM      CAF    CAD       single      1.490    0.020
 HYM      CAD    NAC       single      1.340    0.020
 HYM      CAD    CAE       double      1.490    0.020
 HYM      NAC    CAA       single      1.340    0.020
 HYM      HAC    NAC       single      1.040    0.020
 HYM      CLA    CAA       single      1.845    0.020
 HYM      CAA    CAB       double      1.490    0.020
 HYM      CLB    CAB       single      1.845    0.020
 HYM      CAB    CAE       single      1.490    0.020
 HYM      CAE    CAJ       single      1.490    0.020
 HYM      CAJ    CAL       double      1.490    0.020
 HYM      CAL    NAP       single      1.340    0.020
 HYM      CAL    CAM       single      1.490    0.020
 HYM      NAP    CAO       single      1.340    0.020
 HYM      HAP    NAP       single      1.040    0.020
 HYM      CAM    OAR       double      1.285    0.020
 HYM      NAN    CAM       single      1.350    0.020
 HYM      CAO    NAN       double      1.350    0.020
 HYM      NAQ    CAO       single      1.355    0.020
 HYM      HAQ1   NAQ       single      1.010    0.020
 HYM      HAQ2   NAQ       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
 HYM      OAR    CAM    NAN     108.000    3.000
 HYM      OAR    CAM    CAL     108.000    3.000
 HYM      NAN    CAM    CAL     108.000    3.000
 HYM      CAM    NAN    CAO     108.000    3.000
 HYM      NAN    CAO    NAQ     108.000    3.000
 HYM      NAN    CAO    NAP     108.000    3.000
 HYM      NAQ    CAO    NAP     108.000    3.000
 HYM      CAO    NAQ    HAQ2    120.000    3.000
 HYM      CAO    NAQ    HAQ1    120.000    3.000
 HYM      HAQ2   NAQ    HAQ1    120.000    3.000
 HYM      CAO    NAP    HAP     126.000    3.000
 HYM      CAO    NAP    CAL     108.000    3.000
 HYM      HAP    NAP    CAL     126.000    3.000
 HYM      CAM    CAL    CAJ     117.000    3.000
 HYM      CAM    CAL    NAP     108.000    3.000
 HYM      CAJ    CAL    NAP     126.000    3.000
 HYM      CAL    CAJ    CAI     116.500    3.000
 HYM      CAL    CAJ    CAE     120.000    3.000
 HYM      CAI    CAJ    CAE     116.500    3.000
 HYM      CAJ    CAI    HAI2    109.470    3.000
 HYM      CAJ    CAI    HAI1    109.470    3.000
 HYM      CAJ    CAI    CAH     109.470    3.000
 HYM      HAI2   CAI    HAI1    107.900    3.000
 HYM      HAI2   CAI    CAH     109.470    3.000
 HYM      HAI1   CAI    CAH     109.470    3.000
 HYM      CAJ    CAE    CAB     117.000    3.000
 HYM      CAJ    CAE    CAD     117.000    3.000
 HYM      CAB    CAE    CAD     108.000    3.000
 HYM      CAE    CAB    CLB     108.000    3.000
 HYM      CAE    CAB    CAA     108.000    3.000
 HYM      CLB    CAB    CAA     108.000    3.000
 HYM      CAB    CAA    CLA     108.000    3.000
 HYM      CAB    CAA    NAC     108.000    3.000
 HYM      CLA    CAA    NAC     108.000    3.000
 HYM      CAA    NAC    HAC     126.000    3.000
 HYM      CAA    NAC    CAD     108.000    3.000
 HYM      HAC    NAC    CAD     126.000    3.000
 HYM      CAE    CAD    CAF     117.000    3.000
 HYM      CAE    CAD    NAC     108.000    3.000
 HYM      CAF    CAD    NAC     126.000    3.000
 HYM      CAD    CAF    OAK     120.500    3.000
 HYM      CAD    CAF    NAG     120.000    3.000
 HYM      OAK    CAF    NAG     123.000    3.000
 HYM      CAF    NAG    HAG     120.000    3.000
 HYM      CAF    NAG    CAH     121.500    3.000
 HYM      HAG    NAG    CAH     118.500    3.000
 HYM      NAG    CAH    HAH2    109.470    3.000
 HYM      NAG    CAH    HAH1    109.470    3.000
 HYM      NAG    CAH    CAI     112.000    3.000
 HYM      HAH2   CAH    HAH1    107.900    3.000
 HYM      HAH2   CAH    CAI     109.470    3.000
 HYM      HAH1   CAH    CAI     109.470    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
 HYM      CONST_1  OAR    CAM    NAN    CAO      180.000    0.000   0
 HYM      CONST_2  CAM    NAN    CAO    NAP        0.000    0.000   0
 HYM      CONST_3  NAN    CAO    NAQ    HAQ1      -0.012    0.000   0
 HYM      CONST_4  NAN    CAO    NAP    CAL        0.000    0.000   0
 HYM      CONST_5  OAR    CAM    CAL    CAJ        0.000    0.000   0
 HYM      CONST_6  CAM    CAL    NAP    CAO        0.000    0.000   0
 HYM      CONST_7  CAM    CAL    CAJ    CAE       -0.369    0.000   0
 HYM      var_1    CAL    CAJ    CAI    CAH     -139.848   20.000   3
 HYM      var_2    CAJ    CAI    CAH    NAG       44.230   20.000   3
 HYM      var_3    CAL    CAJ    CAE    CAD      115.455   20.000   1
 HYM      CONST_8  CAJ    CAE    CAB    CAA      180.000    0.000   0
 HYM      CONST_9  CAE    CAB    CAA    NAC        0.000    0.000   0
 HYM      CONST_10 CAB    CAA    NAC    CAD        0.000    0.000   0
 HYM      CONST_11 CAJ    CAE    CAD    CAF        0.000    0.000   0
 HYM      CONST_12 CAE    CAD    NAC    CAA        0.000    0.000   0
 HYM      var_4    CAE    CAD    CAF    NAG       43.108   20.000   1
 HYM      CONST_13 CAD    CAF    NAG    CAH        0.000    0.000   0
 HYM      var_5    CAF    NAG    CAH    CAI      -84.491   20.000   3
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
 HYM      plan-1    NAG       0.020
 HYM      plan-1    CAH       0.020
 HYM      plan-1    CAF       0.020
 HYM      plan-1    HAG       0.020
 HYM      plan-2    CAF       0.020
 HYM      plan-2    NAG       0.020
 HYM      plan-2    OAK       0.020
 HYM      plan-2    CAD       0.020
 HYM      plan-2    HAG       0.020
 HYM      plan-3    CAD       0.020
 HYM      plan-3    CAF       0.020
 HYM      plan-3    NAC       0.020
 HYM      plan-3    CAE       0.020
 HYM      plan-3    CAA       0.020
 HYM      plan-3    CAB       0.020
 HYM      plan-3    HAC       0.020
 HYM      plan-3    CLA       0.020
 HYM      plan-3    CLB       0.020
 HYM      plan-3    CAJ       0.020
 HYM      plan-4    CAJ       0.020
 HYM      plan-4    CAI       0.020
 HYM      plan-4    CAE       0.020
 HYM      plan-4    CAL       0.020
 HYM      plan-4    NAP       0.020
 HYM      plan-4    CAM       0.020
 HYM      plan-4    NAN       0.020
 HYM      plan-4    CAO       0.020
 HYM      plan-4    HAP       0.020
 HYM      plan-4    OAR       0.020
 HYM      plan-4    NAQ       0.020
 HYM      plan-4    HAQ2      0.020
 HYM      plan-4    HAQ1      0.020
 HYM      plan-5    NAQ       0.020
 HYM      plan-5    CAO       0.020
 HYM      plan-5    HAQ1      0.020
 HYM      plan-5    HAQ2      0.020
# ------------------------------------------------------
