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
ARM      ARM 'DEOXY-METHYL-ARGININE               ' non-polymer        28  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ARM
#
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
 ARM           O      O    O         0.000      0.000    0.000    0.000
 ARM           C      C    C         0.000     -0.693   -0.928   -0.342
 ARM           CM     C    CH3       0.000     -0.107   -2.041   -1.170
 ARM           HM3    H    H         0.000     -0.200   -2.958   -0.648
 ARM           HM2    H    H         0.000     -0.625   -2.107   -2.092
 ARM           HM1    H    H         0.000      0.917   -1.844   -1.355
 ARM           CA     C    CH1       0.000     -2.145   -0.970    0.060
 ARM           HA     H    H         0.000     -2.466   -2.016    0.159
 ARM           N      N    NH2       0.000     -2.318   -0.281    1.345
 ARM           H2     H    H         0.000     -1.511    0.048    1.861
 ARM           H      H    H         0.000     -3.246   -0.131    1.723
 ARM           CB     C    CH2       0.000     -2.992   -0.277   -1.009
 ARM           HB2    H    H         0.000     -2.862   -0.791   -1.964
 ARM           HB3    H    H         0.000     -2.670    0.762   -1.109
 ARM           CG     C    CH2       0.000     -4.464   -0.320   -0.601
 ARM           HG2    H    H         0.000     -4.591    0.192    0.355
 ARM           HG3    H    H         0.000     -4.783   -1.360   -0.501
 ARM           CD     C    CH2       0.000     -5.310    0.374   -1.670
 ARM           HD2    H    H         0.000     -5.180   -0.139   -2.625
 ARM           HD3    H    H         0.000     -4.988    1.412   -1.769
 ARM           NE     N    NH1       0.000     -6.721    0.333   -1.280
 ARM           HE     H    H         0.000     -6.993   -0.111   -0.414
 ARM           CZ     C    C         0.000     -7.677    0.897   -2.090
 ARM           NH2    N    NH2       0.000     -9.001    0.859   -1.725
 ARM           HH22   H    H         0.000     -9.289    0.415   -0.855
 ARM           HH21   H    H         0.000     -9.717    1.274   -2.318
 ARM           NH1    N    N         0.000     -7.326    1.470   -3.208
 ARM           HH1    H    H         0.000     -7.984    1.870   -3.785
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
 ARM      O      n/a    C      START
 ARM      C      O      CA     .
 ARM      CM     C      HM1    .
 ARM      HM3    CM     .      .
 ARM      HM2    CM     .      .
 ARM      HM1    CM     .      .
 ARM      CA     C      CB     .
 ARM      HA     CA     .      .
 ARM      N      CA     H      .
 ARM      H2     N      .      .
 ARM      H      N      .      .
 ARM      CB     CA     CG     .
 ARM      HB2    CB     .      .
 ARM      HB3    CB     .      .
 ARM      CG     CB     CD     .
 ARM      HG2    CG     .      .
 ARM      HG3    CG     .      .
 ARM      CD     CG     NE     .
 ARM      HD2    CD     .      .
 ARM      HD3    CD     .      .
 ARM      NE     CD     CZ     .
 ARM      HE     NE     .      .
 ARM      CZ     NE     NH1    .
 ARM      NH2    CZ     HH21   .
 ARM      HH22   NH2    .      .
 ARM      HH21   NH2    .      .
 ARM      NH1    CZ     HH1    .
 ARM      HH1    NH1    .      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
 ARM      N      CA        single      1.450    0.020
 ARM      H      N         single      1.010    0.020
 ARM      H2     N         single      1.010    0.020
 ARM      CB     CA        single      1.524    0.020
 ARM      CA     C         single      1.500    0.020
 ARM      HA     CA        single      1.099    0.020
 ARM      CG     CB        single      1.524    0.020
 ARM      HB2    CB        single      1.092    0.020
 ARM      HB3    CB        single      1.092    0.020
 ARM      CD     CG        single      1.524    0.020
 ARM      HG2    CG        single      1.092    0.020
 ARM      HG3    CG        single      1.092    0.020
 ARM      NE     CD        single      1.450    0.020
 ARM      HD2    CD        single      1.092    0.020
 ARM      HD3    CD        single      1.092    0.020
 ARM      CZ     NE        single      1.330    0.020
 ARM      HE     NE        single      1.010    0.020
 ARM      NH1    CZ        double      1.260    0.020
 ARM      NH2    CZ        single      1.332    0.020
 ARM      HH1    NH1       single      0.954    0.020
 ARM      HH21   NH2       single      1.010    0.020
 ARM      HH22   NH2       single      1.010    0.020
 ARM      C      O         double      1.220    0.020
 ARM      CM     C         single      1.500    0.020
 ARM      HM1    CM        single      1.059    0.020
 ARM      HM2    CM        single      1.059    0.020
 ARM      HM3    CM        single      1.059    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
 ARM      O      C      CM      123.000    3.000
 ARM      O      C      CA      120.500    3.000
 ARM      CM     C      CA      120.000    3.000
 ARM      C      CM     HM3     109.470    3.000
 ARM      C      CM     HM2     109.470    3.000
 ARM      C      CM     HM1     109.470    3.000
 ARM      HM3    CM     HM2     109.470    3.000
 ARM      HM3    CM     HM1     109.470    3.000
 ARM      HM2    CM     HM1     109.470    3.000
 ARM      C      CA     HA      108.810    3.000
 ARM      C      CA     N       109.470    3.000
 ARM      C      CA     CB      109.470    3.000
 ARM      HA     CA     N       109.470    3.000
 ARM      HA     CA     CB      108.340    3.000
 ARM      N      CA     CB      109.470    3.000
 ARM      CA     N      H2      120.000    3.000
 ARM      CA     N      H       120.000    3.000
 ARM      H2     N      H       120.000    3.000
 ARM      CA     CB     HB2     109.470    3.000
 ARM      CA     CB     HB3     109.470    3.000
 ARM      CA     CB     CG      111.000    3.000
 ARM      HB2    CB     HB3     107.900    3.000
 ARM      HB2    CB     CG      109.470    3.000
 ARM      HB3    CB     CG      109.470    3.000
 ARM      CB     CG     HG2     109.470    3.000
 ARM      CB     CG     HG3     109.470    3.000
 ARM      CB     CG     CD      111.000    3.000
 ARM      HG2    CG     HG3     107.900    3.000
 ARM      HG2    CG     CD      109.470    3.000
 ARM      HG3    CG     CD      109.470    3.000
 ARM      CG     CD     HD2     109.470    3.000
 ARM      CG     CD     HD3     109.470    3.000
 ARM      CG     CD     NE      112.000    3.000
 ARM      HD2    CD     HD3     107.900    3.000
 ARM      HD2    CD     NE      109.470    3.000
 ARM      HD3    CD     NE      109.470    3.000
 ARM      CD     NE     HE      118.500    3.000
 ARM      CD     NE     CZ      121.500    3.000
 ARM      HE     NE     CZ      120.000    3.000
 ARM      NE     CZ     NH2     120.000    3.000
 ARM      NE     CZ     NH1     120.000    3.000
 ARM      NH2    CZ     NH1     120.000    3.000
 ARM      CZ     NH2    HH22    120.000    3.000
 ARM      CZ     NH2    HH21    120.000    3.000
 ARM      HH22   NH2    HH21    120.000    3.000
 ARM      CZ     NH1    HH1     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
 ARM      var_1    O      C      CM     HM1        0.043   20.000   1
 ARM      var_2    O      C      CA     CB        90.036   20.000   3
 ARM      var_3    C      CA     N      H        173.830   20.000   1
 ARM      var_4    C      CA     CB     CG       179.998   20.000   3
 ARM      var_5    CA     CB     CG     CD       179.965   20.000   3
 ARM      var_6    CB     CG     CD     NE       179.990   20.000   3
 ARM      var_7    CG     CD     NE     CZ      -179.990   20.000   3
 ARM      CONST_1  CD     NE     CZ     NH1        0.000    0.000   0
 ARM      CONST_2  NE     CZ     NH2    HH21     180.000    0.000   0
 ARM      CONST_3  NE     CZ     NH1    HH1      180.000    0.000   0
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 ARM      chir_01  CA     N      CB     C         negativ
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
 ARM      plan-1    N         0.020
 ARM      plan-1    CA        0.020
 ARM      plan-1    H         0.020
 ARM      plan-1    H2        0.020
 ARM      plan-2    NE        0.020
 ARM      plan-2    CD        0.020
 ARM      plan-2    CZ        0.020
 ARM      plan-2    HE        0.020
 ARM      plan-3    CZ        0.020
 ARM      plan-3    NE        0.020
 ARM      plan-3    NH1       0.020
 ARM      plan-3    NH2       0.020
 ARM      plan-3    HH1       0.020
 ARM      plan-3    HE        0.020
 ARM      plan-3    HH22      0.020
 ARM      plan-3    HH21      0.020
 ARM      plan-4    NH2       0.020
 ARM      plan-4    CZ        0.020
 ARM      plan-4    HH21      0.020
 ARM      plan-4    HH22      0.020
 ARM      plan-5    C         0.020
 ARM      plan-5    CA        0.020
 ARM      plan-5    O         0.020
 ARM      plan-5    CM        0.020
# ------------------------------------------------------
