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
SVW      SVW 'O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-S' non-polymer        19  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SVW
#
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
 SVW           OXT    O    OC       -0.500      0.000    0.000    0.000
 SVW           C      C    C         0.000      0.764   -0.159    0.978
 SVW           O      O    OC       -0.500      1.995   -0.341    0.856
 SVW           CA     C    CH1       0.000      0.025   -0.052    2.296
 SVW           HC     H    H         0.000     -1.020   -0.359    2.148
 SVW           N      N    NH2       0.000      0.658   -0.962    3.219
 SVW           HN2    H    H         0.000      0.119   -1.700    3.647
 SVW           HN1    H    H         0.000      1.638   -0.858    3.434
 SVW           CB     C    CH2       0.000      0.055    1.380    2.810
 SVW           HBC1   H    H         0.000      1.090    1.687    2.978
 SVW           HBC2   H    H         0.000     -0.499    1.444    3.748
 SVW           OG     O    O2        0.000     -0.544    2.235    1.843
 SVW           P1     P    P         0.000     -0.652    3.830    2.124
 SVW           O3     O    O         0.000     -1.113    4.578    0.900
 SVW           N2     N    NH2       0.000     -1.549    4.043    3.496
 SVW           H2N2   H    H         0.000     -2.029    3.259    3.879
 SVW           H2N1   H    H         0.000     -1.588    4.951    3.904
 SVW           O4     O    OH1       0.000      0.880    4.208    2.509
 SVW           H4     H    H         0.000      1.406    4.773    1.922
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
 SVW      OXT    n/a    C      START
 SVW      C      OXT    CA     .
 SVW      O      C      .      .
 SVW      CA     C      CB     .
 SVW      HC     CA     .      .
 SVW      N      CA     HN1    .
 SVW      HN2    N      .      .
 SVW      HN1    N      .      .
 SVW      CB     CA     OG     .
 SVW      HBC1   CB     .      .
 SVW      HBC2   CB     .      .
 SVW      OG     CB     P1     .
 SVW      P1     OG     O4     .
 SVW      O3     P1     .      .
 SVW      N2     P1     H2N1   .
 SVW      H2N2   N2     .      .
 SVW      H2N1   N2     .      .
 SVW      O4     P1     H4     .
 SVW      H4     O4     .      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
 SVW      HN1    N         single      1.010    0.020
 SVW      HN2    N         single      1.010    0.020
 SVW      HC     CA        single      1.099    0.020
 SVW      N      CA        single      1.450    0.020
 SVW      CA     C         single      1.500    0.020
 SVW      O      C         deloc       1.250    0.020
 SVW      CB     CA        single      1.524    0.020
 SVW      OG     CB        single      1.426    0.020
 SVW      P1     OG        single      1.610    0.020
 SVW      O3     P1        double      1.480    0.020
 SVW      O4     P1        single      1.610    0.020
 SVW      N2     P1        single      1.750    0.020
 SVW      C      OXT       deloc       1.250    0.020
 SVW      HBC1   CB        single      1.092    0.020
 SVW      HBC2   CB        single      1.092    0.020
 SVW      H4     O4        single      0.967    0.020
 SVW      H2N1   N2        single      1.010    0.020
 SVW      H2N2   N2        single      1.010    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
 SVW      OXT    C      O       123.000    3.000
 SVW      OXT    C      CA      118.500    3.000
 SVW      O      C      CA      118.500    3.000
 SVW      C      CA     HC      108.810    3.000
 SVW      C      CA     N       109.470    3.000
 SVW      C      CA     CB      109.470    3.000
 SVW      HC     CA     N       109.470    3.000
 SVW      HC     CA     CB      108.340    3.000
 SVW      N      CA     CB      109.470    3.000
 SVW      CA     N      HN2     120.000    3.000
 SVW      CA     N      HN1     120.000    3.000
 SVW      HN2    N      HN1     120.000    3.000
 SVW      CA     CB     HBC1    109.470    3.000
 SVW      CA     CB     HBC2    109.470    3.000
 SVW      CA     CB     OG      109.470    3.000
 SVW      HBC1   CB     HBC2    107.900    3.000
 SVW      HBC1   CB     OG      109.470    3.000
 SVW      HBC2   CB     OG      109.470    3.000
 SVW      CB     OG     P1      120.500    3.000
 SVW      OG     P1     O3      109.500    3.000
 SVW      OG     P1     N2      109.500    3.000
 SVW      OG     P1     O4      109.500    3.000
 SVW      O3     P1     N2      109.500    3.000
 SVW      O3     P1     O4      109.500    3.000
 SVW      N2     P1     O4      109.500    3.000
 SVW      P1     N2     H2N2    120.000    3.000
 SVW      P1     N2     H2N1    120.000    3.000
 SVW      H2N2   N2     H2N1    120.000    3.000
 SVW      P1     O4     H4      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
 SVW      var_1    OXT    C      CA     CB       -91.673   20.000   3
 SVW      var_2    C      CA     N      HN1       58.744   20.000   1
 SVW      var_3    C      CA     CB     OG        58.803   20.000   3
 SVW      var_4    CA     CB     OG     P1       179.986   20.000   1
 SVW      var_5    CB     OG     P1     O4        51.911   20.000   1
 SVW      var_6    OG     P1     N2     H2N1     169.663   20.000   1
 SVW      var_7    OG     P1     O4     H4       112.819   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
 SVW      chir_01  CA     N      C      CB        positiv
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
 SVW      plan-1    N         0.020
 SVW      plan-1    CA        0.020
 SVW      plan-1    HN1       0.020
 SVW      plan-1    HN2       0.020
 SVW      plan-2    C         0.020
 SVW      plan-2    CA        0.020
 SVW      plan-2    O         0.020
 SVW      plan-2    OXT       0.020
 SVW      plan-3    N2        0.020
 SVW      plan-3    P1        0.020
 SVW      plan-3    H2N1      0.020
 SVW      plan-3    H2N2      0.020
# ------------------------------------------------------
