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
NVI      NVI '1-VINYLIMIDAZOLE                    ' non-polymer        14   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NVI
#
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
 NVI           C7     C    C2        0.000      0.000    0.000    0.000
 NVI           H71    H    H         0.000      1.012   -0.371    0.005
 NVI           H72    H    H         0.000     -0.182    1.062   -0.006
 NVI           C6     C    C1        0.000     -1.018   -0.848    0.001
 NVI           H6     H    H         0.000     -0.835   -1.909    0.002
 NVI           N1     N    NR5       1.000     -2.307   -0.373    0.000
 NVI           C5     C    CR15      0.000     -2.663    0.929    0.004
 NVI           H5     H    H         0.000     -1.986    1.774    0.011
 NVI           C4     C    CR15      0.000     -4.006    0.992   -0.002
 NVI           H4     H    H         0.000     -4.608    1.892   -0.008
 NVI           N3     N    NR15      0.000     -4.469   -0.297    0.000
 NVI           HN3    H    H         0.000     -5.466   -0.593    0.000
 NVI           C2     C    CR15      0.000     -3.393   -1.113    0.001
 NVI           H2     H    H         0.000     -3.420   -2.195    0.002
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
 NVI      C7     n/a    C6     START
 NVI      H71    C7     .      .
 NVI      H72    C7     .      .
 NVI      C6     C7     N1     .
 NVI      H6     C6     .      .
 NVI      N1     C6     C5     .
 NVI      C5     N1     C4     .
 NVI      H5     C5     .      .
 NVI      C4     C5     N3     .
 NVI      H4     C4     .      .
 NVI      N3     C4     C2     .
 NVI      HN3    N3     .      .
 NVI      C2     N3     H2     .
 NVI      H2     C2     .      END
 NVI      N1     C2     .    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
 NVI      N1     C2        double      1.337    0.020
 NVI      C5     N1        single      1.337    0.020
 NVI      N1     C6        single      1.365    0.020
 NVI      C2     N3        single      1.350    0.020
 NVI      H2     C2        single      1.083    0.020
 NVI      N3     C4        single      1.350    0.020
 NVI      HN3    N3        single      1.040    0.020
 NVI      C4     C5        double      1.380    0.020
 NVI      H4     C4        single      1.083    0.020
 NVI      H5     C5        single      1.083    0.020
 NVI      C6     C7        double      1.320    0.020
 NVI      H6     C6        single      1.077    0.020
 NVI      H71    C7        single      1.077    0.020
 NVI      H72    C7        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
 NVI      H71    C7     H72     120.000    3.000
 NVI      H71    C7     C6      120.000    3.000
 NVI      H72    C7     C6      120.000    3.000
 NVI      C7     C6     H6      120.000    3.000
 NVI      C7     C6     N1      120.000    3.000
 NVI      H6     C6     N1      120.000    3.000
 NVI      C6     N1     C5      108.000    3.000
 NVI      C6     N1     C2      108.000    3.000
 NVI      C5     N1     C2      108.000    3.000
 NVI      N1     C5     H5      126.000    3.000
 NVI      N1     C5     C4      108.000    3.000
 NVI      H5     C5     C4      126.000    3.000
 NVI      C5     C4     H4      126.000    3.000
 NVI      C5     C4     N3      108.000    3.000
 NVI      H4     C4     N3      126.000    3.000
 NVI      C4     N3     HN3     126.000    3.000
 NVI      C4     N3     C2      108.000    3.000
 NVI      HN3    N3     C2      126.000    3.000
 NVI      N3     C2     H2      126.000    3.000
 NVI      N3     C2     N1      108.000    3.000
 NVI      H2     C2     N1      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
 NVI      CONST_1  H72    C7     C6     N1        -0.318    0.000   0
 NVI      var_1    C7     C6     N1     C5        -0.259   20.000   1
 NVI      CONST_2  C6     N1     C2     N3       180.000    0.000   0
 NVI      CONST_3  C6     N1     C5     C4       180.000    0.000   0
 NVI      CONST_4  N1     C5     C4     N3         0.000    0.000   0
 NVI      CONST_5  C5     C4     N3     C2         0.000    0.000   0
 NVI      CONST_6  C4     N3     C2     N1         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
 NVI      plan-1    N1        0.020
 NVI      plan-1    C2        0.020
 NVI      plan-1    C5        0.020
 NVI      plan-1    C6        0.020
 NVI      plan-1    N3        0.020
 NVI      plan-1    C4        0.020
 NVI      plan-1    H2        0.020
 NVI      plan-1    HN3       0.020
 NVI      plan-1    H4        0.020
 NVI      plan-1    H5        0.020
 NVI      plan-1    H6        0.020
 NVI      plan-2    C6        0.020
 NVI      plan-2    N1        0.020
 NVI      plan-2    C7        0.020
 NVI      plan-2    H6        0.020
 NVI      plan-2    H71       0.020
 NVI      plan-2    H72       0.020
# ------------------------------------------------------
