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
LEP      LEP 'N~2~-phosphono-L-leucinamide        ' non-polymer        28  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LEP
#
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
 LEP           O3     O    O         0.000      0.000    0.000    0.000
 LEP           P      P    P         0.000     -1.427    0.213    0.327
 LEP           O1     O    OH1       0.000     -1.615    1.669    0.987
 LEP           HO1    H    H         0.000     -1.151    1.893    1.806
 LEP           O2     O    OH1       0.000     -1.912   -0.914    1.371
 LEP           HO2    H    H         0.000     -2.826   -0.917    1.689
 LEP           N1     N    NH1       0.000     -2.347    0.110   -1.077
 LEP           HN1    H    H         0.000     -1.969   -0.071   -1.997
 LEP           CA     C    CH1       0.000     -3.773    0.317   -0.790
 LEP           HA     H    H         0.000     -3.879    0.899    0.136
 LEP           C      C    C         0.000     -4.451   -1.019   -0.625
 LEP           O      O    O         0.000     -3.809   -2.042   -0.735
 LEP           N      N    NH2       0.000     -5.771   -1.076   -0.360
 LEP           HNA    H    H         0.000     -6.311   -0.224   -0.270
 LEP           HN     H    H         0.000     -6.232   -1.971   -0.248
 LEP           CB     C    CH2       0.000     -4.422    1.078   -1.949
 LEP           HB     H    H         0.000     -5.500    1.141   -1.784
 LEP           HBA    H    H         0.000     -4.227    0.550   -2.885
 LEP           CG     C    CH1       0.000     -3.833    2.488   -2.024
 LEP           HG     H    H         0.000     -2.737    2.426   -2.083
 LEP           CD2    C    CH3       0.000     -4.234    3.275   -0.775
 LEP           HD2B   H    H         0.000     -3.829    4.253   -0.827
 LEP           HD2A   H    H         0.000     -5.291    3.335   -0.718
 LEP           HD2    H    H         0.000     -3.862    2.785    0.087
 LEP           CD1    C    CH3       0.000     -4.371    3.198   -3.269
 LEP           HD1B   H    H         0.000     -4.024    2.702   -4.138
 LEP           HD1A   H    H         0.000     -5.431    3.183   -3.255
 LEP           HD1    H    H         0.000     -4.034    4.202   -3.279
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
 LEP      O3     n/a    P      START
 LEP      P      O3     N1     .
 LEP      O1     P      HO1    .
 LEP      HO1    O1     .      .
 LEP      O2     P      HO2    .
 LEP      HO2    O2     .      .
 LEP      N1     P      CA     .
 LEP      HN1    N1     .      .
 LEP      CA     N1     CB     .
 LEP      HA     CA     .      .
 LEP      C      CA     N      .
 LEP      O      C      .      .
 LEP      N      C      HN     .
 LEP      HNA    N      .      .
 LEP      HN     N      .      .
 LEP      CB     CA     CG     .
 LEP      HB     CB     .      .
 LEP      HBA    CB     .      .
 LEP      CG     CB     CD1    .
 LEP      HG     CG     .      .
 LEP      CD2    CG     HD2    .
 LEP      HD2B   CD2    .      .
 LEP      HD2A   CD2    .      .
 LEP      HD2    CD2    .      .
 LEP      CD1    CG     HD1    .
 LEP      HD1B   CD1    .      .
 LEP      HD1A   CD1    .      .
 LEP      HD1    CD1    .      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
 LEP      N      C         single      1.332    0.020
 LEP      O      C         double      1.220    0.020
 LEP      C      CA        single      1.500    0.020
 LEP      HN     N         single      1.010    0.020
 LEP      HNA    N         single      1.010    0.020
 LEP      P      O3        double      1.480    0.020
 LEP      O2     P         single      1.610    0.020
 LEP      O1     P         single      1.610    0.020
 LEP      N1     P         single      1.750    0.020
 LEP      CA     N1        single      1.450    0.020
 LEP      HN1    N1        single      1.010    0.020
 LEP      HO1    O1        single      0.967    0.020
 LEP      HO2    O2        single      0.967    0.020
 LEP      CB     CA        single      1.524    0.020
 LEP      HA     CA        single      1.099    0.020
 LEP      CG     CB        single      1.524    0.020
 LEP      HB     CB        single      1.092    0.020
 LEP      HBA    CB        single      1.092    0.020
 LEP      CD1    CG        single      1.524    0.020
 LEP      CD2    CG        single      1.524    0.020
 LEP      HG     CG        single      1.099    0.020
 LEP      HD1    CD1       single      1.059    0.020
 LEP      HD1A   CD1       single      1.059    0.020
 LEP      HD1B   CD1       single      1.059    0.020
 LEP      HD2    CD2       single      1.059    0.020
 LEP      HD2A   CD2       single      1.059    0.020
 LEP      HD2B   CD2       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
 LEP      O3     P      O1      109.500    3.000
 LEP      O3     P      O2      109.500    3.000
 LEP      O3     P      N1      109.500    3.000
 LEP      O1     P      O2      109.500    3.000
 LEP      O1     P      N1      109.500    3.000
 LEP      O2     P      N1      109.500    3.000
 LEP      P      O1     HO1     120.000    3.000
 LEP      P      O2     HO2     120.000    3.000
 LEP      P      N1     HN1     120.000    3.000
 LEP      P      N1     CA      120.000    3.000
 LEP      HN1    N1     CA      118.500    3.000
 LEP      N1     CA     HA      108.550    3.000
 LEP      N1     CA     C       111.600    3.000
 LEP      N1     CA     CB      110.000    3.000
 LEP      HA     CA     C       108.810    3.000
 LEP      HA     CA     CB      108.340    3.000
 LEP      C      CA     CB      109.470    3.000
 LEP      CA     C      O       120.500    3.000
 LEP      CA     C      N       120.000    3.000
 LEP      O      C      N       123.000    3.000
 LEP      C      N      HNA     120.000    3.000
 LEP      C      N      HN      120.000    3.000
 LEP      HNA    N      HN      120.000    3.000
 LEP      CA     CB     HB      109.470    3.000
 LEP      CA     CB     HBA     109.470    3.000
 LEP      CA     CB     CG      111.000    3.000
 LEP      HB     CB     HBA     107.900    3.000
 LEP      HB     CB     CG      109.470    3.000
 LEP      HBA    CB     CG      109.470    3.000
 LEP      CB     CG     HG      108.340    3.000
 LEP      CB     CG     CD2     111.000    3.000
 LEP      CB     CG     CD1     111.000    3.000
 LEP      HG     CG     CD2     108.340    3.000
 LEP      HG     CG     CD1     108.340    3.000
 LEP      CD2    CG     CD1     111.000    3.000
 LEP      CG     CD2    HD2B    109.470    3.000
 LEP      CG     CD2    HD2A    109.470    3.000
 LEP      CG     CD2    HD2     109.470    3.000
 LEP      HD2B   CD2    HD2A    109.470    3.000
 LEP      HD2B   CD2    HD2     109.470    3.000
 LEP      HD2A   CD2    HD2     109.470    3.000
 LEP      CG     CD1    HD1B    109.470    3.000
 LEP      CG     CD1    HD1A    109.470    3.000
 LEP      CG     CD1    HD1     109.470    3.000
 LEP      HD1B   CD1    HD1A    109.470    3.000
 LEP      HD1B   CD1    HD1     109.470    3.000
 LEP      HD1A   CD1    HD1     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
 LEP      var_1    O3     P      O1     HO1      -59.984   20.000   1
 LEP      var_2    O3     P      O2     HO2     -179.992   20.000   1
 LEP      var_3    O3     P      N1     CA      -179.998   20.000   1
 LEP      var_4    P      N1     CA     CB       144.204   20.000   3
 LEP      var_5    N1     CA     C      N       -179.724   20.000   3
 LEP      CONST_1  CA     C      N      HN       180.000    0.000   0
 LEP      var_6    N1     CA     CB     CG       -65.823   20.000   3
 LEP      var_7    CA     CB     CG     CD1      174.068   20.000   3
 LEP      var_8    CB     CG     CD2    HD2       60.115   20.000   3
 LEP      var_9    CB     CG     CD1    HD1      175.029   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
 LEP      chir_01  CA     C      N1     CB        negativ
 LEP      chir_02  CG     CB     CD1    CD2       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
 LEP      plan-1    C         0.020
 LEP      plan-1    N         0.020
 LEP      plan-1    O         0.020
 LEP      plan-1    CA        0.020
 LEP      plan-1    HNA       0.020
 LEP      plan-1    HN        0.020
 LEP      plan-2    N         0.020
 LEP      plan-2    C         0.020
 LEP      plan-2    HN        0.020
 LEP      plan-2    HNA       0.020
 LEP      plan-3    N1        0.020
 LEP      plan-3    P         0.020
 LEP      plan-3    CA        0.020
 LEP      plan-3    HN1       0.020
# ------------------------------------------------------
