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
2AI      2AI '1H-imidazol-2-amine                 ' non-polymer        11   6 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_2AI
#
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
 2AI           NT     N    NH2       0.000      0.000    0.000    0.000
 2AI           HNT    H    H         0.000      0.525   -0.870    0.000
 2AI           HNTA   H    H         0.000      0.508    0.880    0.000
 2AI           CE1    C    CR5       0.000     -1.385   -0.013    0.000
 2AI           NE2    N    NRD5      0.000     -2.143   -1.084    0.000
 2AI           CD2    C    CR15      0.000     -3.435   -0.714    0.000
 2AI           HD2    H    H         0.000     -4.286   -1.384    0.000
 2AI           ND1    N    NR15      0.000     -2.191    1.083    0.000
 2AI           HND1   H    H         0.000     -1.883    2.077    0.000
 2AI           CG     C    CR15      0.000     -3.490    0.628    0.000
 2AI           HG     H    H         0.000     -4.386    1.237    0.000
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
 2AI      NT     n/a    CE1    START
 2AI      HNT    NT     .      .
 2AI      HNTA   NT     .      .
 2AI      CE1    NT     ND1    .
 2AI      NE2    CE1    CD2    .
 2AI      CD2    NE2    HD2    .
 2AI      HD2    CD2    .      .
 2AI      ND1    CE1    CG     .
 2AI      HND1   ND1    .      .
 2AI      CG     ND1    HG     .
 2AI      HG     CG     .      END
 2AI      CG     CD2    .    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
 2AI      CG     CD2       double      1.380    0.020
 2AI      CG     ND1       single      1.350    0.020
 2AI      CD2    NE2       single      1.350    0.020
 2AI      NE2    CE1       double      1.350    0.020
 2AI      ND1    CE1       single      1.340    0.020
 2AI      CE1    NT        single      1.355    0.020
 2AI      HG     CG        single      1.083    0.020
 2AI      HD2    CD2       single      1.083    0.020
 2AI      HND1   ND1       single      1.040    0.020
 2AI      HNT    NT        single      1.010    0.020
 2AI      HNTA   NT        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
 2AI      HNT    NT     HNTA    120.000    3.000
 2AI      HNT    NT     CE1     120.000    3.000
 2AI      HNTA   NT     CE1     120.000    3.000
 2AI      NT     CE1    NE2     108.000    3.000
 2AI      NT     CE1    ND1     108.000    3.000
 2AI      NE2    CE1    ND1     108.000    3.000
 2AI      CE1    NE2    CD2     108.000    3.000
 2AI      NE2    CD2    HD2     126.000    3.000
 2AI      NE2    CD2    CG      108.000    3.000
 2AI      HD2    CD2    CG      126.000    3.000
 2AI      CE1    ND1    HND1    126.000    3.000
 2AI      CE1    ND1    CG      108.000    3.000
 2AI      HND1   ND1    CG      126.000    3.000
 2AI      ND1    CG     HG      126.000    3.000
 2AI      ND1    CG     CD2     108.000    3.000
 2AI      HG     CG     CD2     126.000    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
 2AI      CONST_1  HNTA   NT     CE1    ND1        0.000    0.000   0
 2AI      CONST_2  NT     CE1    NE2    CD2      180.000    0.000   0
 2AI      CONST_3  CE1    NE2    CD2    CG         0.000    0.000   0
 2AI      CONST_4  NT     CE1    ND1    CG       180.000    0.000   0
 2AI      CONST_5  CE1    ND1    CG     CD2        0.000    0.000   0
 2AI      CONST_6  ND1    CG     CD2    NE2        0.000    0.000   0
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
 2AI      plan-1    CG        0.020
 2AI      plan-1    CD2       0.020
 2AI      plan-1    ND1       0.020
 2AI      plan-1    HG        0.020
 2AI      plan-1    NE2       0.020
 2AI      plan-1    CE1       0.020
 2AI      plan-1    HD2       0.020
 2AI      plan-1    NT        0.020
 2AI      plan-1    HND1      0.020
 2AI      plan-1    HNT       0.020
 2AI      plan-1    HNTA      0.020
 2AI      plan-2    NT        0.020
 2AI      plan-2    CE1       0.020
 2AI      plan-2    HNT       0.020
 2AI      plan-2    HNTA      0.020
# ------------------------------------------------------
