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
LPD      LPD 'L-PROLINAMIDE                       ' non-polymer        18   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LPD
#
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
 LPD           O      O    O         0.000      0.000    0.000    0.000
 LPD           C      C    C         0.000     -0.769   -0.063   -0.955
 LPD           N2     N    NH2       0.000     -1.508    0.999   -1.423
 LPD           HN22   H    H         0.000     -2.132    0.889   -2.221
 LPD           HN21   H    H         0.000     -1.444    1.914   -0.980
 LPD           CA     C    CH1       0.000     -1.000   -1.337   -1.709
 LPD           HA     H    H         0.000     -0.727   -1.210   -2.766
 LPD           CB     C    CH2       0.000     -2.444   -1.813   -1.589
 LPD           HB2    H    H         0.000     -2.872   -2.046   -2.566
 LPD           HB3    H    H         0.000     -3.069   -1.074   -1.085
 LPD           CG     C    CH2       0.000     -2.376   -3.082   -0.747
 LPD           HG3    H    H         0.000     -2.439   -3.983   -1.361
 LPD           HG2    H    H         0.000     -3.158   -3.108    0.015
 LPD           CD     C    CH2       0.000     -1.019   -3.019   -0.079
 LPD           HD3    H    H         0.000     -0.620   -4.008    0.157
 LPD           HD2    H    H         0.000     -1.022   -2.405    0.824
 LPD           N      N    NH1       0.000     -0.186   -2.386   -1.096
 LPD           H      H    H         0.000      0.767   -2.626   -1.332
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
 LPD      O      n/a    C      START
 LPD      C      O      CA     .
 LPD      N2     C      HN21   .
 LPD      HN22   N2     .      .
 LPD      HN21   N2     .      .
 LPD      CA     C      CB     .
 LPD      HA     CA     .      .
 LPD      CB     CA     CG     .
 LPD      HB2    CB     .      .
 LPD      HB3    CB     .      .
 LPD      CG     CB     CD     .
 LPD      HG3    CG     .      .
 LPD      HG2    CG     .      .
 LPD      CD     CG     N      .
 LPD      HD3    CD     .      .
 LPD      HD2    CD     .      .
 LPD      N      CD     H      .
 LPD      H      N      .      END
 LPD      CA     N      .    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
 LPD      C      O         double      1.220    0.020
 LPD      N2     C         single      1.332    0.020
 LPD      CA     C         single      1.500    0.020
 LPD      HN21   N2        single      1.010    0.020
 LPD      HN22   N2        single      1.010    0.020
 LPD      CA     N         single      1.450    0.020
 LPD      CB     CA        single      1.524    0.020
 LPD      HA     CA        single      1.099    0.020
 LPD      N      CD        single      1.450    0.020
 LPD      H      N         single      1.010    0.020
 LPD      CD     CG        single      1.524    0.020
 LPD      HD3    CD        single      1.092    0.020
 LPD      HD2    CD        single      1.092    0.020
 LPD      CG     CB        single      1.524    0.020
 LPD      HG3    CG        single      1.092    0.020
 LPD      HG2    CG        single      1.092    0.020
 LPD      HB2    CB        single      1.092    0.020
 LPD      HB3    CB        single      1.092    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
 LPD      O      C      N2      123.000    3.000
 LPD      O      C      CA      120.500    3.000
 LPD      N2     C      CA      120.000    3.000
 LPD      C      N2     HN22    120.000    3.000
 LPD      C      N2     HN21    120.000    3.000
 LPD      HN22   N2     HN21    120.000    3.000
 LPD      C      CA     HA      108.810    3.000
 LPD      C      CA     CB      109.470    3.000
 LPD      C      CA     N       111.600    3.000
 LPD      HA     CA     CB      108.340    3.000
 LPD      HA     CA     N       108.550    3.000
 LPD      CB     CA     N       110.000    3.000
 LPD      CA     CB     HB2     109.470    3.000
 LPD      CA     CB     HB3     109.470    3.000
 LPD      CA     CB     CG      111.000    3.000
 LPD      HB2    CB     HB3     107.900    3.000
 LPD      HB2    CB     CG      109.470    3.000
 LPD      HB3    CB     CG      109.470    3.000
 LPD      CB     CG     HG3     109.470    3.000
 LPD      CB     CG     HG2     109.470    3.000
 LPD      CB     CG     CD      111.000    3.000
 LPD      HG3    CG     HG2     107.900    3.000
 LPD      HG3    CG     CD      109.470    3.000
 LPD      HG2    CG     CD      109.470    3.000
 LPD      CG     CD     HD3     109.470    3.000
 LPD      CG     CD     HD2     109.470    3.000
 LPD      CG     CD     N       112.000    3.000
 LPD      HD3    CD     HD2     107.900    3.000
 LPD      HD3    CD     N       109.470    3.000
 LPD      HD2    CD     N       109.470    3.000
 LPD      CD     N      H       118.500    3.000
 LPD      CD     N      CA      120.000    3.000
 LPD      H      N      CA      118.500    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
 LPD      CONST_1  O      C      N2     HN21       0.000    0.000   0
 LPD      var_1    O      C      CA     CB       116.446   20.000   3
 LPD      var_2    C      CA     N      CD        90.000   20.000   3
 LPD      var_3    C      CA     CB     CG      -120.000   20.000   3
 LPD      var_4    CA     CB     CG     CD        30.000   20.000   3
 LPD      var_5    CB     CG     CD     N        -30.000   20.000   3
 LPD      var_6    CG     CD     N      CA        30.000   20.000   3
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
 LPD      chir_01  CA     C      N      CB        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
 LPD      plan-1    C         0.020
 LPD      plan-1    O         0.020
 LPD      plan-1    N2        0.020
 LPD      plan-1    CA        0.020
 LPD      plan-1    HN22      0.020
 LPD      plan-1    HN21      0.020
 LPD      plan-2    N2        0.020
 LPD      plan-2    C         0.020
 LPD      plan-2    HN21      0.020
 LPD      plan-2    HN22      0.020
 LPD      plan-3    N         0.020
 LPD      plan-3    CA        0.020
 LPD      plan-3    CD        0.020
 LPD      plan-3    H         0.020
# ------------------------------------------------------
