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
ARN      ARN '1-IMINO-5-PENTANONE                 ' non-polymer        16   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ARN
#
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
 ARN           O      O    O         0.000      0.000    0.000    0.000
 ARN           C      C    C1        0.000     -1.005   -0.657    0.122
 ARN           HC1    H    H         0.000     -1.227   -1.438   -0.585
 ARN           CA     C    CH2       0.000     -1.950   -0.384    1.263
 ARN           HCA1   H    H         0.000     -1.561    0.437    1.868
 ARN           HCA2   H    H         0.000     -2.041   -1.279    1.881
 ARN           C3     C    CH2       0.000     -3.324   -0.004    0.709
 ARN           H31    H    H         0.000     -3.711   -0.827    0.103
 ARN           H32    H    H         0.000     -3.230    0.890    0.089
 ARN           C2     C    CH2       0.000     -4.284    0.274    1.866
 ARN           H21    H    H         0.000     -3.894    1.095    2.471
 ARN           H22    H    H         0.000     -4.375   -0.621    2.485
 ARN           C1     C    C1        0.000     -5.636    0.649    1.320
 ARN           H11    H    H         0.000     -5.739    1.512    0.685
 ARN           N      N    N         0.000     -6.662   -0.057    1.611
 ARN           HN1    H    H         0.000     -7.524    0.177    1.267
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
 ARN      O      n/a    C      START
 ARN      C      O      CA     .
 ARN      HC1    C      .      .
 ARN      CA     C      C3     .
 ARN      HCA1   CA     .      .
 ARN      HCA2   CA     .      .
 ARN      C3     CA     C2     .
 ARN      H31    C3     .      .
 ARN      H32    C3     .      .
 ARN      C2     C3     C1     .
 ARN      H21    C2     .      .
 ARN      H22    C2     .      .
 ARN      C1     C2     N      .
 ARN      H11    C1     .      .
 ARN      N      C1     HN1    .
 ARN      HN1    N      .      END
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
 ARN      N      C1        double      1.260    0.020
 ARN      HN1    N         single      0.954    0.020
 ARN      C1     C2        single      1.510    0.020
 ARN      H11    C1        single      1.077    0.020
 ARN      C2     C3        single      1.524    0.020
 ARN      H21    C2        single      1.092    0.020
 ARN      H22    C2        single      1.092    0.020
 ARN      C3     CA        single      1.524    0.020
 ARN      H31    C3        single      1.092    0.020
 ARN      H32    C3        single      1.092    0.020
 ARN      CA     C         single      1.510    0.020
 ARN      HCA1   CA        single      1.092    0.020
 ARN      HCA2   CA        single      1.092    0.020
 ARN      C      O         double      1.220    0.020
 ARN      HC1    C         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
 ARN      O      C      HC1     123.000    3.000
 ARN      O      C      CA      120.500    3.000
 ARN      HC1    C      CA      120.000    3.000
 ARN      C      CA     HCA1    109.470    3.000
 ARN      C      CA     HCA2    109.470    3.000
 ARN      C      CA     C3      109.470    3.000
 ARN      HCA1   CA     HCA2    107.900    3.000
 ARN      HCA1   CA     C3      109.470    3.000
 ARN      HCA2   CA     C3      109.470    3.000
 ARN      CA     C3     H31     109.470    3.000
 ARN      CA     C3     H32     109.470    3.000
 ARN      CA     C3     C2      111.000    3.000
 ARN      H31    C3     H32     107.900    3.000
 ARN      H31    C3     C2      109.470    3.000
 ARN      H32    C3     C2      109.470    3.000
 ARN      C3     C2     H21     109.470    3.000
 ARN      C3     C2     H22     109.470    3.000
 ARN      C3     C2     C1      109.470    3.000
 ARN      H21    C2     H22     107.900    3.000
 ARN      H21    C2     C1      109.470    3.000
 ARN      H22    C2     C1      109.470    3.000
 ARN      C2     C1     H11     120.000    3.000
 ARN      C2     C1     N       120.000    3.000
 ARN      H11    C1     N       120.000    3.000
 ARN      C1     N      HN1     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
 ARN      var_1    O      C      CA     C3       120.096   20.000   1
 ARN      var_2    C      CA     C3     C2      -179.954   20.000   3
 ARN      var_3    CA     C3     C2     C1       179.972   20.000   3
 ARN      var_4    C3     C2     C1     N        119.981   20.000   1
 ARN      CONST_1  C2     C1     N      HN1     -179.986    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
 ARN      plan-1    N         0.020
 ARN      plan-1    C1        0.020
 ARN      plan-1    HN1       0.020
 ARN      plan-1    C2        0.020
 ARN      plan-1    H11       0.020
 ARN      plan-2    C         0.020
 ARN      plan-2    CA        0.020
 ARN      plan-2    O         0.020
 ARN      plan-2    HC1       0.020
# ------------------------------------------------------
