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
BVG      BVG '1H-IMIDAZOL-2-YLMETHANOL            ' non-polymer        13   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_BVG
#
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
 BVG           O7     O    OH1       0.000      0.000    0.000    0.000
 BVG           HO7    H    H         0.000      0.887   -0.384    0.000
 BVG           C6     C    CH2       0.000     -0.973   -1.048    0.002
 BVG           H61    H    H         0.000     -0.842   -1.664    0.894
 BVG           H62    H    H         0.000     -0.842   -1.667   -0.889
 BVG           C4     C    CR5       0.000     -2.355   -0.450    0.001
 BVG           N3     N    NR15      0.000     -2.643    0.870    0.000
 BVG           HN3    H    H         0.000     -1.956    1.651    0.000
 BVG           C2     C    CR15      0.000     -4.007    0.987    0.000
 BVG           H2     H    H         0.000     -4.576    1.909   -0.001
 BVG           C1     C    CR15      0.000     -4.505   -0.264    0.001
 BVG           H1     H    H         0.000     -5.555   -0.530    0.004
 BVG           N5     N    NRD5      0.000     -3.474   -1.122   -0.003
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
 BVG      O7     n/a    C6     START
 BVG      HO7    O7     .      .
 BVG      C6     O7     C4     .
 BVG      H61    C6     .      .
 BVG      H62    C6     .      .
 BVG      C4     C6     N3     .
 BVG      N3     C4     C2     .
 BVG      HN3    N3     .      .
 BVG      C2     N3     C1     .
 BVG      H2     C2     .      .
 BVG      C1     C2     N5     .
 BVG      H1     C1     .      .
 BVG      N5     C1     .      END
 BVG      C4     N5     .    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
 BVG      C6     O7        single      1.432    0.020
 BVG      HO7    O7        single      0.967    0.020
 BVG      C4     C6        single      1.510    0.020
 BVG      H61    C6        single      1.092    0.020
 BVG      H62    C6        single      1.092    0.020
 BVG      C4     N5        double      1.350    0.020
 BVG      N3     C4        single      1.340    0.020
 BVG      N5     C1        single      1.350    0.020
 BVG      C2     N3        single      1.350    0.020
 BVG      HN3    N3        single      1.040    0.020
 BVG      C1     C2        double      1.380    0.020
 BVG      H2     C2        single      1.083    0.020
 BVG      H1     C1        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
 BVG      HO7    O7     C6      109.470    3.000
 BVG      O7     C6     H61     109.470    3.000
 BVG      O7     C6     H62     109.470    3.000
 BVG      O7     C6     C4      109.500    3.000
 BVG      H61    C6     H62     107.900    3.000
 BVG      H61    C6     C4      109.470    3.000
 BVG      H62    C6     C4      109.470    3.000
 BVG      C6     C4     N3      126.000    3.000
 BVG      C6     C4     N5      126.000    3.000
 BVG      N3     C4     N5      108.000    3.000
 BVG      C4     N3     HN3     126.000    3.000
 BVG      C4     N3     C2      108.000    3.000
 BVG      HN3    N3     C2      126.000    3.000
 BVG      N3     C2     H2      126.000    3.000
 BVG      N3     C2     C1      108.000    3.000
 BVG      H2     C2     C1      126.000    3.000
 BVG      C2     C1     H1      126.000    3.000
 BVG      C2     C1     N5      108.000    3.000
 BVG      H1     C1     N5      126.000    3.000
 BVG      C1     N5     C4      108.000    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
 BVG      var_1    HO7    O7     C6     C4      -179.996   20.000   1
 BVG      var_2    O7     C6     C4     N3        -0.033   20.000   2
 BVG      CONST_1  C6     C4     N5     C1       180.000    0.000   0
 BVG      CONST_2  C6     C4     N3     C2       180.000    0.000   0
 BVG      CONST_3  C4     N3     C2     C1         0.000    0.000   0
 BVG      CONST_4  N3     C2     C1     N5         0.000    0.000   0
 BVG      CONST_5  C2     C1     N5     C4         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
 BVG      plan-1    C4        0.020
 BVG      plan-1    C6        0.020
 BVG      plan-1    N5        0.020
 BVG      plan-1    N3        0.020
 BVG      plan-1    C2        0.020
 BVG      plan-1    C1        0.020
 BVG      plan-1    HN3       0.020
 BVG      plan-1    H2        0.020
 BVG      plan-1    H1        0.020
# ------------------------------------------------------
