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
NLP      NLP '(1-AMINO-PENTYL)-PHOSPHONIC ACID    ' non-polymer        24  10 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NLP
#
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
 NLP           O1     O    O         0.000      0.000    0.000    0.000
 NLP           P      P    P         0.000     -0.945    1.133    0.115
 NLP           O2     O    OH1       0.000     -0.422    2.360   -0.788
 NLP           HO2    H    H         0.000      0.442    2.756   -0.611
 NLP           O3     O    OH1       0.000     -1.039    1.600    1.652
 NLP           HO3    H    H         0.000     -1.617    2.334    1.900
 NLP           CA     C    CH1       0.000     -2.592    0.612   -0.464
 NLP           HA     H    H         0.000     -3.293    1.454   -0.379
 NLP           N      N    NH2       0.000     -2.505    0.186   -1.867
 NLP           HN2    H    H         0.000     -1.641    0.301   -2.385
 NLP           HN1    H    H         0.000     -3.308   -0.226   -2.328
 NLP           CB     C    CH2       0.000     -3.088   -0.553    0.392
 NLP           HB1    H    H         0.000     -2.392   -1.390    0.305
 NLP           HB2    H    H         0.000     -4.075   -0.865    0.043
 NLP           CG     C    CH2       0.000     -3.178   -0.110    1.854
 NLP           HG1    H    H         0.000     -3.874    0.727    1.938
 NLP           HG2    H    H         0.000     -2.191    0.203    2.200
 NLP           CD     C    CH2       0.000     -3.675   -1.275    2.711
 NLP           HD1    H    H         0.000     -2.978   -2.112    2.625
 NLP           HD2    H    H         0.000     -4.661   -1.587    2.362
 NLP           CE     C    CH3       0.000     -3.765   -0.833    4.172
 NLP           HE3    H    H         0.000     -2.807   -0.530    4.512
 NLP           HE2    H    H         0.000     -4.440   -0.020    4.257
 NLP           HE1    H    H         0.000     -4.109   -1.639    4.768
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
 NLP      O1     n/a    P      START
 NLP      P      O1     CA     .
 NLP      O2     P      HO2    .
 NLP      HO2    O2     .      .
 NLP      O3     P      HO3    .
 NLP      HO3    O3     .      .
 NLP      CA     P      CB     .
 NLP      HA     CA     .      .
 NLP      N      CA     HN1    .
 NLP      HN2    N      .      .
 NLP      HN1    N      .      .
 NLP      CB     CA     CG     .
 NLP      HB1    CB     .      .
 NLP      HB2    CB     .      .
 NLP      CG     CB     CD     .
 NLP      HG1    CG     .      .
 NLP      HG2    CG     .      .
 NLP      CD     CG     CE     .
 NLP      HD1    CD     .      .
 NLP      HD2    CD     .      .
 NLP      CE     CD     HE1    .
 NLP      HE3    CE     .      .
 NLP      HE2    CE     .      .
 NLP      HE1    CE     .      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
 NLP      N      CA        single      1.450    0.020
 NLP      HN1    N         single      1.010    0.020
 NLP      HN2    N         single      1.010    0.020
 NLP      CB     CA        single      1.524    0.020
 NLP      CA     P         single      1.815    0.020
 NLP      HA     CA        single      1.099    0.020
 NLP      CG     CB        single      1.524    0.020
 NLP      HB1    CB        single      1.092    0.020
 NLP      HB2    CB        single      1.092    0.020
 NLP      CD     CG        single      1.524    0.020
 NLP      HG1    CG        single      1.092    0.020
 NLP      HG2    CG        single      1.092    0.020
 NLP      CE     CD        single      1.513    0.020
 NLP      HD1    CD        single      1.092    0.020
 NLP      HD2    CD        single      1.092    0.020
 NLP      HE1    CE        single      1.059    0.020
 NLP      HE2    CE        single      1.059    0.020
 NLP      HE3    CE        single      1.059    0.020
 NLP      P      O1        double      1.480    0.020
 NLP      O2     P         single      1.610    0.020
 NLP      O3     P         single      1.610    0.020
 NLP      HO2    O2        single      0.967    0.020
 NLP      HO3    O3        single      0.967    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
 NLP      O1     P      O2      109.500    3.000
 NLP      O1     P      O3      109.500    3.000
 NLP      O1     P      CA      109.500    3.000
 NLP      O2     P      O3      109.500    3.000
 NLP      O2     P      CA      109.500    3.000
 NLP      O3     P      CA      109.500    3.000
 NLP      P      O2     HO2     120.000    3.000
 NLP      P      O3     HO3     120.000    3.000
 NLP      P      CA     HA      109.500    3.000
 NLP      P      CA     N       109.500    3.000
 NLP      P      CA     CB      109.500    3.000
 NLP      HA     CA     N       109.470    3.000
 NLP      HA     CA     CB      108.340    3.000
 NLP      N      CA     CB      109.470    3.000
 NLP      CA     N      HN2     120.000    3.000
 NLP      CA     N      HN1     120.000    3.000
 NLP      HN2    N      HN1     120.000    3.000
 NLP      CA     CB     HB1     109.470    3.000
 NLP      CA     CB     HB2     109.470    3.000
 NLP      CA     CB     CG      111.000    3.000
 NLP      HB1    CB     HB2     107.900    3.000
 NLP      HB1    CB     CG      109.470    3.000
 NLP      HB2    CB     CG      109.470    3.000
 NLP      CB     CG     HG1     109.470    3.000
 NLP      CB     CG     HG2     109.470    3.000
 NLP      CB     CG     CD      111.000    3.000
 NLP      HG1    CG     HG2     107.900    3.000
 NLP      HG1    CG     CD      109.470    3.000
 NLP      HG2    CG     CD      109.470    3.000
 NLP      CG     CD     HD1     109.470    3.000
 NLP      CG     CD     HD2     109.470    3.000
 NLP      CG     CD     CE      111.000    3.000
 NLP      HD1    CD     HD2     107.900    3.000
 NLP      HD1    CD     CE      109.470    3.000
 NLP      HD2    CD     CE      109.470    3.000
 NLP      CD     CE     HE3     109.470    3.000
 NLP      CD     CE     HE2     109.470    3.000
 NLP      CD     CE     HE1     109.470    3.000
 NLP      HE3    CE     HE2     109.470    3.000
 NLP      HE3    CE     HE1     109.470    3.000
 NLP      HE2    CE     HE1     109.470    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
 NLP      var_1    O1     P      O2     HO2      -59.955   20.000   1
 NLP      var_2    O1     P      O3     HO3     -179.998   20.000   1
 NLP      var_3    O1     P      CA     CB        59.989   20.000   1
 NLP      var_4    P      CA     N      HN1      173.778   20.000   1
 NLP      var_5    P      CA     CB     CG        59.997   20.000   3
 NLP      var_6    CA     CB     CG     CD      -179.991   20.000   3
 NLP      var_7    CB     CG     CD     CE      -179.991   20.000   3
 NLP      var_8    CG     CD     CE     HE1      179.957   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
 NLP      chir_01  CA     N      CB     P         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
 NLP      plan-1    N         0.020
 NLP      plan-1    CA        0.000
 NLP      plan-1    HN1       0.000
 NLP      plan-1    HN2       0.000
# ------------------------------------------------------
