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
LWY      LWY '1-[(R)-hydroxy(methyl)phosphoryl]-L-' non-polymer        23  12 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LWY
#
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
 LWY           O      O    OC       -0.500      0.000    0.000    0.000
 LWY           C      C    C         0.000     -0.997   -0.227   -0.721
 LWY           OXT    O    OC       -0.500     -0.839   -0.599   -1.905
 LWY           CA     C    CH1       0.000     -2.386   -0.060   -0.162
 LWY           HA     H    H         0.000     -2.956   -0.995   -0.252
 LWY           CB     C    CH2       0.000     -3.124    1.103   -0.871
 LWY           HB     H    H         0.000     -3.626    0.785   -1.787
 LWY           HBA    H    H         0.000     -2.466    1.946   -1.092
 LWY           CG     C    CH2       0.000     -4.179    1.531    0.174
 LWY           HG     H    H         0.000     -5.149    1.069   -0.022
 LWY           HGA    H    H         0.000     -4.295    2.617    0.207
 LWY           CD     C    CH2       0.000     -3.633    1.030    1.525
 LWY           HD     H    H         0.000     -4.315    0.303    1.969
 LWY           HDA    H    H         0.000     -3.492    1.864    2.215
 LWY           N      N    NT        0.000     -2.330    0.386    1.254
 LWY           P      P    P         0.000     -2.076   -0.918    2.287
 LWY           O1     O    O         0.000     -0.764   -1.535    1.990
 LWY           O2     O    OH1       0.000     -3.243   -2.008    2.074
 LWY           HO2    H    H         0.000     -3.244   -2.822    2.594
 LWY           C1     C    CH3       0.000     -2.097   -0.337    4.016
 LWY           H1B    H    H         0.000     -1.937   -1.157    4.668
 LWY           H1A    H    H         0.000     -1.330    0.380    4.159
 LWY           H1     H    H         0.000     -3.035    0.105    4.231
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
 LWY      O      n/a    C      START
 LWY      C      O      CA     .
 LWY      OXT    C      .      .
 LWY      CA     C      CB     .
 LWY      HA     CA     .      .
 LWY      CB     CA     CG     .
 LWY      HB     CB     .      .
 LWY      HBA    CB     .      .
 LWY      CG     CB     CD     .
 LWY      HG     CG     .      .
 LWY      HGA    CG     .      .
 LWY      CD     CG     N      .
 LWY      HD     CD     .      .
 LWY      HDA    CD     .      .
 LWY      N      CD     P      .
 LWY      P      N      C1     .
 LWY      O1     P      .      .
 LWY      O2     P      HO2    .
 LWY      HO2    O2     .      .
 LWY      C1     P      H1     .
 LWY      H1B    C1     .      .
 LWY      H1A    C1     .      .
 LWY      H1     C1     .      END
 LWY      N      CA     .    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
 LWY      C      O         deloc       1.250    0.020
 LWY      CA     C         single      1.500    0.020
 LWY      OXT    C         deloc       1.250    0.020
 LWY      P      N         single      1.760    0.020
 LWY      N      CA        single      1.469    0.020
 LWY      N      CD        single      1.469    0.020
 LWY      O1     P         double      1.480    0.020
 LWY      O2     P         single      1.610    0.020
 LWY      C1     P         single      1.812    0.020
 LWY      H1     C1        single      1.059    0.020
 LWY      H1A    C1        single      1.059    0.020
 LWY      H1B    C1        single      1.059    0.020
 LWY      HO2    O2        single      0.967    0.020
 LWY      CB     CA        single      1.524    0.020
 LWY      HA     CA        single      1.099    0.020
 LWY      CG     CB        single      1.524    0.020
 LWY      HB     CB        single      1.092    0.020
 LWY      HBA    CB        single      1.092    0.020
 LWY      CD     CG        single      1.524    0.020
 LWY      HD     CD        single      1.092    0.020
 LWY      HDA    CD        single      1.092    0.020
 LWY      HG     CG        single      1.092    0.020
 LWY      HGA    CG        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
 LWY      O      C      OXT     123.000    3.000
 LWY      O      C      CA      118.500    3.000
 LWY      OXT    C      CA      118.500    3.000
 LWY      C      CA     HA      108.810    3.000
 LWY      C      CA     CB      109.470    3.000
 LWY      C      CA     N       109.500    3.000
 LWY      HA     CA     CB      108.340    3.000
 LWY      HA     CA     N       109.500    3.000
 LWY      CB     CA     N       109.500    3.000
 LWY      CA     CB     HB      109.470    3.000
 LWY      CA     CB     HBA     109.470    3.000
 LWY      CA     CB     CG      111.000    3.000
 LWY      HB     CB     HBA     107.900    3.000
 LWY      HB     CB     CG      109.470    3.000
 LWY      HBA    CB     CG      109.470    3.000
 LWY      CB     CG     HG      109.470    3.000
 LWY      CB     CG     HGA     109.470    3.000
 LWY      CB     CG     CD      111.000    3.000
 LWY      HG     CG     HGA     107.900    3.000
 LWY      HG     CG     CD      109.470    3.000
 LWY      HGA    CG     CD      109.470    3.000
 LWY      CG     CD     HD      109.470    3.000
 LWY      CG     CD     HDA     109.470    3.000
 LWY      CG     CD     N       109.470    3.000
 LWY      HD     CD     HDA     107.900    3.000
 LWY      HD     CD     N       109.470    3.000
 LWY      HDA    CD     N       109.470    3.000
 LWY      CD     N      P       109.500    3.000
 LWY      CD     N      CA      109.470    3.000
 LWY      P      N      CA      109.500    3.000
 LWY      N      P      O1      109.500    3.000
 LWY      N      P      O2      109.500    3.000
 LWY      N      P      C1      109.500    3.000
 LWY      O1     P      O2      109.500    3.000
 LWY      O1     P      C1      109.500    3.000
 LWY      O2     P      C1      109.500    3.000
 LWY      P      O2     HO2     120.000    3.000
 LWY      P      C1     H1B     109.500    3.000
 LWY      P      C1     H1A     109.500    3.000
 LWY      P      C1     H1      109.500    3.000
 LWY      H1B    C1     H1A     109.470    3.000
 LWY      H1B    C1     H1      109.470    3.000
 LWY      H1A    C1     H1      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
 LWY      var_1    O      C      CA     CB       114.120   20.000   3
 LWY      var_2    C      CA     CB     CG      -150.000   20.000   3
 LWY      var_3    CA     CB     CG     CD        30.000   20.000   3
 LWY      var_4    CB     CG     CD     N          0.000   20.000   3
 LWY      var_5    CG     CD     N      P       -150.000   20.000   1
 LWY      var_6    CD     N      CA     C        150.000   20.000   1
 LWY      var_7    CD     N      P      C1       -59.896   20.000   1
 LWY      var_8    N      P      O2     HO2     -179.997   20.000   1
 LWY      var_9    N      P      C1     H1        60.016   20.000   1
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
 LWY      chir_01  N      P      CA     CD        negativ
 LWY      chir_02  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
 LWY      plan-1    C         0.020
 LWY      plan-1    OXT       0.000
 LWY      plan-1    CA        0.000
 LWY      plan-1    O         0.000
# ------------------------------------------------------
