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
NTM      NTM 'QUINOLINIC ACID                     ' non-polymer        15  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NTM
#
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
 NTM           O4     O    OC       -0.500      0.000    0.000    0.000
 NTM           C8     C    C         0.000     -1.088    0.617    0.025
 NTM           O3     O    OC       -0.500     -1.314    1.450    0.931
 NTM           C3     C    CR6       0.000     -2.105    0.364   -1.017
 NTM           C2     C    CR6       0.000     -3.411   -0.012   -0.665
 NTM           C7     C    C         0.000     -3.777   -0.151    0.765
 NTM           O2     O    OC       -0.500     -4.964   -0.379    1.088
 NTM           O1     O    OC       -0.500     -2.899   -0.041    1.648
 NTM           C4     C    CR16      0.000     -1.783    0.489   -2.372
 NTM           H4     H    H         0.000     -0.785    0.774   -2.682
 NTM           C5     C    CR16      0.000     -2.773    0.241   -3.309
 NTM           H5     H    H         0.000     -2.557    0.328   -4.367
 NTM           C6     C    CR16      0.000     -4.041   -0.120   -2.881
 NTM           H6     H    H         0.000     -4.814   -0.314   -3.614
 NTM           N1     N    NRD6      0.000     -4.321   -0.232   -1.601
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
 NTM      O4     n/a    C8     START
 NTM      C8     O4     C3     .
 NTM      O3     C8     .      .
 NTM      C3     C8     C4     .
 NTM      C2     C3     C7     .
 NTM      C7     C2     O1     .
 NTM      O2     C7     .      .
 NTM      O1     C7     .      .
 NTM      C4     C3     C5     .
 NTM      H4     C4     .      .
 NTM      C5     C4     C6     .
 NTM      H5     C5     .      .
 NTM      C6     C5     N1     .
 NTM      H6     C6     .      .
 NTM      N1     C6     .      END
 NTM      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
 NTM      N1     C2        double      1.350    0.020
 NTM      N1     C6        single      1.337    0.020
 NTM      C2     C3        single      1.487    0.020
 NTM      C7     C2        single      1.500    0.020
 NTM      C4     C3        double      1.390    0.020
 NTM      C3     C8        single      1.500    0.020
 NTM      C5     C4        single      1.390    0.020
 NTM      H4     C4        single      1.083    0.020
 NTM      C6     C5        double      1.390    0.020
 NTM      H5     C5        single      1.083    0.020
 NTM      H6     C6        single      1.083    0.020
 NTM      O1     C7        deloc       1.250    0.020
 NTM      O2     C7        deloc       1.250    0.020
 NTM      O3     C8        deloc       1.250    0.020
 NTM      C8     O4        deloc       1.250    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
 NTM      O4     C8     O3      123.000    3.000
 NTM      O4     C8     C3      120.000    3.000
 NTM      O3     C8     C3      120.000    3.000
 NTM      C8     C3     C2      120.000    3.000
 NTM      C8     C3     C4      120.000    3.000
 NTM      C2     C3     C4      120.000    3.000
 NTM      C3     C2     C7      120.000    3.000
 NTM      C3     C2     N1      120.000    3.000
 NTM      C7     C2     N1      120.000    3.000
 NTM      C2     C7     O2      120.000    3.000
 NTM      C2     C7     O1      120.000    3.000
 NTM      O2     C7     O1      123.000    3.000
 NTM      C3     C4     H4      120.000    3.000
 NTM      C3     C4     C5      120.000    3.000
 NTM      H4     C4     C5      120.000    3.000
 NTM      C4     C5     H5      120.000    3.000
 NTM      C4     C5     C6      120.000    3.000
 NTM      H5     C5     C6      120.000    3.000
 NTM      C5     C6     H6      120.000    3.000
 NTM      C5     C6     N1      120.000    3.000
 NTM      H6     C6     N1      120.000    3.000
 NTM      C6     N1     C2      120.000    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
 NTM      var_1    O4     C8     C3     C4       -54.793   20.000   1
 NTM      CONST_1  C8     C3     C2     C7         0.000    0.000   0
 NTM      var_2    C3     C2     C7     O1        -5.860   20.000   1
 NTM      CONST_2  C8     C3     C4     C5       180.000    0.000   0
 NTM      CONST_3  C3     C4     C5     C6         0.000    0.000   0
 NTM      CONST_4  C4     C5     C6     N1         0.000    0.000   0
 NTM      CONST_5  C5     C6     N1     C2         0.000    0.000   0
 NTM      CONST_6  C6     N1     C2     C3         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
 NTM      plan-1    N1        0.020
 NTM      plan-1    C2        0.020
 NTM      plan-1    C6        0.020
 NTM      plan-1    C3        0.020
 NTM      plan-1    C4        0.020
 NTM      plan-1    C5        0.020
 NTM      plan-1    C7        0.020
 NTM      plan-1    C8        0.020
 NTM      plan-1    H4        0.020
 NTM      plan-1    H5        0.020
 NTM      plan-1    H6        0.020
 NTM      plan-2    C7        0.020
 NTM      plan-2    C2        0.020
 NTM      plan-2    O1        0.020
 NTM      plan-2    O2        0.020
 NTM      plan-3    C8        0.020
 NTM      plan-3    C3        0.020
 NTM      plan-3    O3        0.020
 NTM      plan-3    O4        0.020
# ------------------------------------------------------
