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
SVV      SVV 'O-[(S)-AMINO(HYDROXY)PHOSPHORYL]-L-S' non-polymer        19  11 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SVV
#
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
 SVV           OXT    O    OC       -0.500      0.000    0.000    0.000
 SVV           C      C    C         0.000     -0.932   -0.729    0.406
 SVV           O      O    OC       -0.500     -0.905   -1.314    1.511
 SVV           CA     C    CH1       0.000     -2.089   -0.763   -0.570
 SVV           HC     H    H         0.000     -1.707   -0.592   -1.586
 SVV           N      N    NH2       0.000     -2.671   -2.081   -0.501
 SVV           HN2    H    H         0.000     -2.717   -2.654   -1.329
 SVV           HN1    H    H         0.000     -3.031   -2.426    0.376
 SVV           CB     C    CH2       0.000     -3.106    0.318   -0.232
 SVV           HBC1   H    H         0.000     -3.506    0.143    0.769
 SVV           HA2    H    H         0.000     -3.921    0.293   -0.958
 SVV           OG     O    O2        0.000     -2.468    1.588   -0.275
 SVV           P1     P    P         0.000     -3.314    2.937    0.046
 SVV           O2     O    O         0.000     -2.517    4.176   -0.262
 SVV           N4     N    NH2       0.000     -3.905    2.806    1.585
 SVV           H4N2   H    H         0.000     -4.893    2.802    1.719
 SVV           H4N1   H    H         0.000     -3.259    2.736    2.341
 SVV           O3     O    OH1       0.000     -4.588    2.787   -0.951
 SVV           H3     H    H         0.000     -4.478    2.912   -1.906
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
 SVV      OXT    n/a    C      START
 SVV      C      OXT    CA     .
 SVV      O      C      .      .
 SVV      CA     C      CB     .
 SVV      HC     CA     .      .
 SVV      N      CA     HN1    .
 SVV      HN2    N      .      .
 SVV      HN1    N      .      .
 SVV      CB     CA     OG     .
 SVV      HBC1   CB     .      .
 SVV      HA2    CB     .      .
 SVV      OG     CB     P1     .
 SVV      P1     OG     O3     .
 SVV      O2     P1     .      .
 SVV      N4     P1     H4N1   .
 SVV      H4N2   N4     .      .
 SVV      H4N1   N4     .      .
 SVV      O3     P1     H3     .
 SVV      H3     O3     .      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
 SVV      N      CA        single      1.450    0.020
 SVV      CA     C         single      1.500    0.020
 SVV      O      C         deloc       1.250    0.020
 SVV      CB     CA        single      1.524    0.020
 SVV      OG     CB        single      1.426    0.020
 SVV      P1     OG        single      1.610    0.020
 SVV      O3     P1        single      1.610    0.020
 SVV      O2     P1        double      1.480    0.020
 SVV      N4     P1        single      1.750    0.020
 SVV      C      OXT       deloc       1.250    0.020
 SVV      HBC1   CB        single      1.092    0.020
 SVV      HA2    CB        single      1.092    0.020
 SVV      H3     O3        single      0.967    0.020
 SVV      H4N1   N4        single      1.010    0.020
 SVV      H4N2   N4        single      1.010    0.020
 SVV      HN1    N         single      1.010    0.020
 SVV      HN2    N         single      1.010    0.020
 SVV      HC     CA        single      1.099    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
 SVV      OXT    C      O       123.000    3.000
 SVV      OXT    C      CA      118.500    3.000
 SVV      O      C      CA      118.500    3.000
 SVV      C      CA     HC      108.810    3.000
 SVV      C      CA     N       109.470    3.000
 SVV      C      CA     CB      109.470    3.000
 SVV      HC     CA     N       109.470    3.000
 SVV      HC     CA     CB      108.340    3.000
 SVV      N      CA     CB      109.470    3.000
 SVV      CA     N      HN2     120.000    3.000
 SVV      CA     N      HN1     120.000    3.000
 SVV      HN2    N      HN1     120.000    3.000
 SVV      CA     CB     HBC1    109.470    3.000
 SVV      CA     CB     HA2     109.470    3.000
 SVV      CA     CB     OG      109.470    3.000
 SVV      HBC1   CB     HA2     107.900    3.000
 SVV      HBC1   CB     OG      109.470    3.000
 SVV      HA2    CB     OG      109.470    3.000
 SVV      CB     OG     P1      120.500    3.000
 SVV      OG     P1     O2      109.500    3.000
 SVV      OG     P1     N4      109.500    3.000
 SVV      OG     P1     O3      109.500    3.000
 SVV      O2     P1     N4      109.500    3.000
 SVV      O2     P1     O3      109.500    3.000
 SVV      N4     P1     O3      109.500    3.000
 SVV      P1     N4     H4N2    120.000    3.000
 SVV      P1     N4     H4N1    120.000    3.000
 SVV      H4N2   N4     H4N1    120.000    3.000
 SVV      P1     O3     H3      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
 SVV      var_1    OXT    C      CA     CB       -91.613   20.000   3
 SVV      var_2    C      CA     N      HN1       58.832   20.000   1
 SVV      var_3    C      CA     CB     OG        58.760   20.000   3
 SVV      var_4    CA     CB     OG     P1      -179.986   20.000   1
 SVV      var_5    CB     OG     P1     O3       -51.930   20.000   1
 SVV      var_6    OG     P1     N4     H4N1      61.951   20.000   1
 SVV      var_7    OG     P1     O3     H3       -72.620   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
 SVV      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
 SVV      plan-1    N         0.020
 SVV      plan-1    CA        0.020
 SVV      plan-1    HN1       0.020
 SVV      plan-1    HN2       0.020
 SVV      plan-2    C         0.020
 SVV      plan-2    CA        0.020
 SVV      plan-2    O         0.020
 SVV      plan-2    OXT       0.020
 SVV      plan-3    N4        0.020
 SVV      plan-3    P1        0.020
 SVV      plan-3    H4N1      0.020
 SVV      plan-3    H4N2      0.020
# ------------------------------------------------------
