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
ABN      ABN 'BENZYLAMINE                         ' non-polymer        17   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ABN
#
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
 ABN           N      N    NH2       0.000      0.000    0.000    0.000
 ABN           HN1    H    H         0.000     -0.251   -0.968   -0.161
 ABN           HN2    H    H         0.000      0.923    0.223    0.352
 ABN           C      C    CH2       0.000     -0.966    1.070   -0.275
 ABN           H1     H    H         0.000     -0.554    1.746   -1.027
 ABN           H2A    H    H         0.000     -1.162    1.627    0.644
 ABN           C1     C    CR6       0.000     -2.250    0.470   -0.785
 ABN           C6     C    CR16      0.000     -2.432    0.281   -2.142
 ABN           H6     H    H         0.000     -1.653    0.566   -2.838
 ABN           C5     C    CR16      0.000     -3.609   -0.274   -2.610
 ABN           H5     H    H         0.000     -3.750   -0.428   -3.673
 ABN           C4     C    CR16      0.000     -4.606   -0.630   -1.722
 ABN           H4     H    H         0.000     -5.528   -1.063   -2.089
 ABN           C3     C    CR16      0.000     -4.425   -0.435   -0.366
 ABN           H3     H    H         0.000     -5.207   -0.712    0.330
 ABN           C2     C    CR16      0.000     -3.247    0.114    0.103
 ABN           H2     H    H         0.000     -3.105    0.266    1.165
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
 ABN      N      n/a    C      START
 ABN      HN1    N      .      .
 ABN      HN2    N      .      .
 ABN      C      N      C1     .
 ABN      H1     C      .      .
 ABN      H2A    C      .      .
 ABN      C1     C      C6     .
 ABN      C6     C1     C5     .
 ABN      H6     C6     .      .
 ABN      C5     C6     C4     .
 ABN      H5     C5     .      .
 ABN      C4     C5     C3     .
 ABN      H4     C4     .      .
 ABN      C3     C4     C2     .
 ABN      H3     C3     .      .
 ABN      C2     C3     H2     .
 ABN      H2     C2     .      END
 ABN      C1     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
 ABN      C      N         single      1.450    0.020
 ABN      HN1    N         single      1.010    0.020
 ABN      HN2    N         single      1.010    0.020
 ABN      C1     C         single      1.511    0.020
 ABN      H1     C         single      1.092    0.020
 ABN      H2A    C         single      1.092    0.020
 ABN      C1     C2        double      1.390    0.020
 ABN      C6     C1        single      1.390    0.020
 ABN      C2     C3        single      1.390    0.020
 ABN      H2     C2        single      1.083    0.020
 ABN      C3     C4        double      1.390    0.020
 ABN      H3     C3        single      1.083    0.020
 ABN      C4     C5        single      1.390    0.020
 ABN      H4     C4        single      1.083    0.020
 ABN      C5     C6        double      1.390    0.020
 ABN      H5     C5        single      1.083    0.020
 ABN      H6     C6        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
 ABN      HN1    N      HN2     120.000    3.000
 ABN      HN1    N      C       120.000    3.000
 ABN      HN2    N      C       120.000    3.000
 ABN      N      C      H1      109.470    3.000
 ABN      N      C      H2A     109.470    3.000
 ABN      N      C      C1      109.500    3.000
 ABN      H1     C      H2A     107.900    3.000
 ABN      H1     C      C1      109.470    3.000
 ABN      H2A    C      C1      109.470    3.000
 ABN      C      C1     C6      120.000    3.000
 ABN      C      C1     C2      120.000    3.000
 ABN      C6     C1     C2      120.000    3.000
 ABN      C1     C6     H6      120.000    3.000
 ABN      C1     C6     C5      120.000    3.000
 ABN      H6     C6     C5      120.000    3.000
 ABN      C6     C5     H5      120.000    3.000
 ABN      C6     C5     C4      120.000    3.000
 ABN      H5     C5     C4      120.000    3.000
 ABN      C5     C4     H4      120.000    3.000
 ABN      C5     C4     C3      120.000    3.000
 ABN      H4     C4     C3      120.000    3.000
 ABN      C4     C3     H3      120.000    3.000
 ABN      C4     C3     C2      120.000    3.000
 ABN      H3     C3     C2      120.000    3.000
 ABN      C3     C2     H2      120.000    3.000
 ABN      C3     C2     C1      120.000    3.000
 ABN      H2     C2     C1      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
 ABN      var_1    HN2    N      C      C1      -179.977   20.000   1
 ABN      var_2    N      C      C1     C6       -90.263   20.000   2
 ABN      CONST_1  C      C1     C2     C3       180.000    0.000   0
 ABN      CONST_2  C      C1     C6     C5       180.000    0.000   0
 ABN      CONST_3  C1     C6     C5     C4         0.000    0.000   0
 ABN      CONST_4  C6     C5     C4     C3         0.000    0.000   0
 ABN      CONST_5  C5     C4     C3     C2         0.000    0.000   0
 ABN      CONST_6  C4     C3     C2     C1         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
 ABN      plan-1    N         0.020
 ABN      plan-1    C         0.020
 ABN      plan-1    HN1       0.020
 ABN      plan-1    HN2       0.020
 ABN      plan-2    C1        0.020
 ABN      plan-2    C         0.020
 ABN      plan-2    C2        0.020
 ABN      plan-2    C6        0.020
 ABN      plan-2    C3        0.020
 ABN      plan-2    C4        0.020
 ABN      plan-2    C5        0.020
 ABN      plan-2    H2        0.020
 ABN      plan-2    H3        0.020
 ABN      plan-2    H4        0.020
 ABN      plan-2    H5        0.020
 ABN      plan-2    H6        0.020
# ------------------------------------------------------
