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
1HP      1HP '4-(2-amino-1-methyl-1H-imidazo[4,5-b' non-polymer        30  18 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_1HP
#
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
 1HP           OAC    O    OH1       0.000      0.000    0.000    0.000
 1HP           HOAC   H    H         0.000      0.319    0.036    0.912
 1HP           CAL    C    CR6       0.000     -1.351   -0.147    0.000
 1HP           CAD    C    CR16      0.000     -2.169    0.974   -0.003
 1HP           HAD    H    H         0.000     -1.730    1.964   -0.002
 1HP           CAF    C    CR16      0.000     -3.540    0.829   -0.005
 1HP           HAF    H    H         0.000     -4.178    1.704   -0.008
 1HP           CAE    C    CR16      0.000     -1.909   -1.418    0.002
 1HP           HAE    H    H         0.000     -1.268   -2.291   -0.001
 1HP           CAG    C    CR16      0.000     -3.280   -1.570    0.006
 1HP           HAG    H    H         0.000     -3.715   -2.562    0.017
 1HP           CAN    C    CR6       0.000     -4.104   -0.447   -0.003
 1HP           CAO    C    CR6       0.000     -5.579   -0.606   -0.004
 1HP           CAI    C    CR16      0.000     -6.412    0.515   -0.001
 1HP           HAI    H    H         0.000     -5.997    1.516    0.001
 1HP           CAH    C    CR16      0.000     -6.151   -1.880    0.003
 1HP           HAH    H    H         0.000     -5.508   -2.751    0.010
 1HP           NAJ    N    NRD6      0.000     -7.456   -2.040    0.002
 1HP           CAP    C    CR56      0.000     -8.290   -1.000   -0.001
 1HP           CAQ    C    CR56      0.000     -7.782    0.312   -0.001
 1HP           NAK    N    NRD5      0.000     -9.642   -0.900   -0.001
 1HP           CAM    C    CR5       0.000     -9.994    0.363   -0.004
 1HP           NAB    N    NH2       0.000    -11.291    0.824   -0.005
 1HP           HAB2   H    H         0.000    -12.068    0.171   -0.004
 1HP           HAB1   H    H         0.000    -11.482    1.820   -0.007
 1HP           NAR    N    NR5       0.000     -8.881    1.154   -0.003
 1HP           CAA    C    CH3       0.000     -8.855    2.619   -0.005
 1HP           HAA3   H    H         0.000     -9.714    2.984    0.493
 1HP           HAA2   H    H         0.000     -7.984    2.953    0.494
 1HP           HAA1   H    H         0.000     -8.848    2.966   -1.004
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
 1HP      OAC    n/a    CAL    START
 1HP      HOAC   OAC    .      .
 1HP      CAL    OAC    CAE    .
 1HP      CAD    CAL    CAF    .
 1HP      HAD    CAD    .      .
 1HP      CAF    CAD    HAF    .
 1HP      HAF    CAF    .      .
 1HP      CAE    CAL    CAG    .
 1HP      HAE    CAE    .      .
 1HP      CAG    CAE    CAN    .
 1HP      HAG    CAG    .      .
 1HP      CAN    CAG    CAO    .
 1HP      CAO    CAN    CAH    .
 1HP      CAI    CAO    HAI    .
 1HP      HAI    CAI    .      .
 1HP      CAH    CAO    NAJ    .
 1HP      HAH    CAH    .      .
 1HP      NAJ    CAH    CAP    .
 1HP      CAP    NAJ    NAK    .
 1HP      CAQ    CAP    .      .
 1HP      NAK    CAP    CAM    .
 1HP      CAM    NAK    NAR    .
 1HP      NAB    CAM    HAB1   .
 1HP      HAB2   NAB    .      .
 1HP      HAB1   NAB    .      .
 1HP      NAR    CAM    CAA    .
 1HP      CAA    NAR    HAA1   .
 1HP      HAA3   CAA    .      .
 1HP      HAA2   CAA    .      .
 1HP      HAA1   CAA    .      END
 1HP      CAI    CAQ    .    ADD
 1HP      CAQ    NAR    .    ADD
 1HP      CAN    CAF    .    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
 1HP      CAF    CAD       double      1.390    0.020
 1HP      CAD    CAL       single      1.390    0.020
 1HP      CAN    CAF       single      1.390    0.020
 1HP      CAL    OAC       single      1.362    0.020
 1HP      CAE    CAL       double      1.390    0.020
 1HP      NAJ    CAH       double      1.337    0.020
 1HP      CAH    CAO       single      1.390    0.020
 1HP      CAO    CAN       single      1.487    0.020
 1HP      CAN    CAG       double      1.390    0.020
 1HP      CAP    NAJ       single      1.355    0.020
 1HP      CAI    CAO       double      1.390    0.020
 1HP      CAG    CAE       single      1.390    0.020
 1HP      CAQ    CAP       double      1.490    0.020
 1HP      NAK    CAP       single      1.350    0.020
 1HP      CAI    CAQ       single      1.390    0.020
 1HP      CAQ    NAR       single      1.337    0.020
 1HP      CAM    NAK       double      1.350    0.020
 1HP      NAR    CAM       single      1.337    0.020
 1HP      CAA    NAR       single      1.485    0.020
 1HP      NAB    CAM       single      1.355    0.020
 1HP      HAI    CAI       single      1.083    0.020
 1HP      HAA1   CAA       single      1.059    0.020
 1HP      HAA2   CAA       single      1.059    0.020
 1HP      HAA3   CAA       single      1.059    0.020
 1HP      HAB1   NAB       single      1.010    0.020
 1HP      HAB2   NAB       single      1.010    0.020
 1HP      HAH    CAH       single      1.083    0.020
 1HP      HAF    CAF       single      1.083    0.020
 1HP      HAD    CAD       single      1.083    0.020
 1HP      HOAC   OAC       single      0.967    0.020
 1HP      HAE    CAE       single      1.083    0.020
 1HP      HAG    CAG       single      1.083    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
 1HP      HOAC   OAC    CAL     109.470    3.000
 1HP      OAC    CAL    CAD     120.000    3.000
 1HP      OAC    CAL    CAE     120.000    3.000
 1HP      CAD    CAL    CAE     120.000    3.000
 1HP      CAL    CAD    HAD     120.000    3.000
 1HP      CAL    CAD    CAF     120.000    3.000
 1HP      HAD    CAD    CAF     120.000    3.000
 1HP      CAD    CAF    HAF     120.000    3.000
 1HP      CAD    CAF    CAN     120.000    3.000
 1HP      HAF    CAF    CAN     120.000    3.000
 1HP      CAL    CAE    HAE     120.000    3.000
 1HP      CAL    CAE    CAG     120.000    3.000
 1HP      HAE    CAE    CAG     120.000    3.000
 1HP      CAE    CAG    HAG     120.000    3.000
 1HP      CAE    CAG    CAN     120.000    3.000
 1HP      HAG    CAG    CAN     120.000    3.000
 1HP      CAG    CAN    CAO     120.000    3.000
 1HP      CAG    CAN    CAF     120.000    3.000
 1HP      CAO    CAN    CAF     120.000    3.000
 1HP      CAN    CAO    CAI     120.000    3.000
 1HP      CAN    CAO    CAH     120.000    3.000
 1HP      CAI    CAO    CAH     120.000    3.000
 1HP      CAO    CAI    HAI     120.000    3.000
 1HP      CAO    CAI    CAQ     120.000    3.000
 1HP      HAI    CAI    CAQ     120.000    3.000
 1HP      CAO    CAH    HAH     120.000    3.000
 1HP      CAO    CAH    NAJ     120.000    3.000
 1HP      HAH    CAH    NAJ     120.000    3.000
 1HP      CAH    NAJ    CAP     120.000    3.000
 1HP      NAJ    CAP    CAQ     120.000    3.000
 1HP      NAJ    CAP    NAK     120.000    3.000
 1HP      CAQ    CAP    NAK     108.000    3.000
 1HP      CAP    CAQ    CAI     120.000    3.000
 1HP      CAP    CAQ    NAR     108.000    3.000
 1HP      CAI    CAQ    NAR     132.000    3.000
 1HP      CAP    NAK    CAM     108.000    3.000
 1HP      NAK    CAM    NAB     108.000    3.000
 1HP      NAK    CAM    NAR     108.000    3.000
 1HP      NAB    CAM    NAR     108.000    3.000
 1HP      CAM    NAB    HAB2    120.000    3.000
 1HP      CAM    NAB    HAB1    120.000    3.000
 1HP      HAB2   NAB    HAB1    120.000    3.000
 1HP      CAM    NAR    CAA     126.000    3.000
 1HP      CAM    NAR    CAQ     108.000    3.000
 1HP      CAA    NAR    CAQ     126.000    3.000
 1HP      NAR    CAA    HAA3    109.470    3.000
 1HP      NAR    CAA    HAA2    109.470    3.000
 1HP      NAR    CAA    HAA1    109.470    3.000
 1HP      HAA3   CAA    HAA2    109.470    3.000
 1HP      HAA3   CAA    HAA1    109.470    3.000
 1HP      HAA2   CAA    HAA1    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
 1HP      var_1    HOAC   OAC    CAL    CAE      -89.988   20.000   1
 1HP      CONST_1  OAC    CAL    CAD    CAF      180.000    0.000   0
 1HP      CONST_2  CAL    CAD    CAF    CAN        0.000    0.000   0
 1HP      CONST_3  OAC    CAL    CAE    CAG      180.000    0.000   0
 1HP      CONST_4  CAL    CAE    CAG    CAN        0.000    0.000   0
 1HP      CONST_5  CAE    CAG    CAN    CAO      180.000    0.000   0
 1HP      CONST_6  CAG    CAN    CAF    CAD        0.000    0.000   0
 1HP      CONST_7  CAG    CAN    CAO    CAH        0.000    0.000   0
 1HP      CONST_8  CAN    CAO    CAI    CAQ      180.000    0.000   0
 1HP      CONST_9  CAO    CAI    CAQ    CAP        0.000    0.000   0
 1HP      CONST_10 CAN    CAO    CAH    NAJ      180.000    0.000   0
 1HP      CONST_11 CAO    CAH    NAJ    CAP        0.000    0.000   0
 1HP      CONST_12 CAH    NAJ    CAP    NAK      180.000    0.000   0
 1HP      CONST_13 NAJ    CAP    CAQ    CAI        0.000    0.000   0
 1HP      CONST_14 CAP    CAQ    NAR    CAM        0.000    0.000   0
 1HP      CONST_15 NAJ    CAP    NAK    CAM      180.000    0.000   0
 1HP      CONST_16 CAP    NAK    CAM    NAR        0.000    0.000   0
 1HP      CONST_17 NAK    CAM    NAB    HAB1    -179.996    0.000   0
 1HP      CONST_18 NAK    CAM    NAR    CAA      180.000    0.000   0
 1HP      var_2    CAM    NAR    CAA    HAA1     -89.945   20.000   1
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
 1HP      plan-1    CAI       0.020
 1HP      plan-1    CAQ       0.020
 1HP      plan-1    CAO       0.020
 1HP      plan-1    HAI       0.020
 1HP      plan-1    NAJ       0.020
 1HP      plan-1    CAH       0.020
 1HP      plan-1    NAR       0.020
 1HP      plan-1    CAP       0.020
 1HP      plan-1    CAM       0.020
 1HP      plan-1    NAK       0.020
 1HP      plan-1    CAA       0.020
 1HP      plan-1    NAB       0.020
 1HP      plan-1    HAH       0.020
 1HP      plan-1    CAN       0.020
 1HP      plan-1    HAB2      0.020
 1HP      plan-1    HAB1      0.020
 1HP      plan-2    NAB       0.020
 1HP      plan-2    CAM       0.020
 1HP      plan-2    HAB1      0.020
 1HP      plan-2    HAB2      0.020
 1HP      plan-3    CAN       0.020
 1HP      plan-3    CAO       0.020
 1HP      plan-3    CAF       0.020
 1HP      plan-3    CAG       0.020
 1HP      plan-3    CAD       0.020
 1HP      plan-3    CAL       0.020
 1HP      plan-3    CAE       0.020
 1HP      plan-3    HAF       0.020
 1HP      plan-3    HAD       0.020
 1HP      plan-3    OAC       0.020
 1HP      plan-3    HAE       0.020
 1HP      plan-3    HAG       0.020
# ------------------------------------------------------
