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
STN      STN '2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-M' non-polymer        27  13 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_STN
#
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
 STN           OXT    O    OC       -0.500      0.000    0.000    0.000
 STN           C      C    C         0.000     -0.785   -0.663    0.714
 STN           O      O    OC       -0.500     -0.403   -1.737    1.229
 STN           CA     C    CH1       0.000     -2.187   -0.167    0.952
 STN           HA     H    H         0.000     -2.219    0.923    0.817
 STN           CB     C    CH2       0.000     -2.615   -0.516    2.379
 STN           HCB1   H    H         0.000     -1.876   -0.130    3.085
 STN           HCB2   H    H         0.000     -2.683   -1.601    2.483
 STN           CG     C    CH1       0.000     -3.978    0.112    2.672
 STN           HG     H    H         0.000     -4.699   -0.204    1.904
 STN           CD2    C    CH3       0.000     -3.852    1.635    2.655
 STN           HD23   H    H         0.000     -3.555    1.956    1.690
 STN           HD22   H    H         0.000     -4.787    2.070    2.898
 STN           HD21   H    H         0.000     -3.127    1.938    3.366
 STN           CD1    C    CH3       0.000     -4.467   -0.346    4.048
 STN           HD13   H    H         0.000     -4.554   -1.401    4.060
 STN           HD12   H    H         0.000     -3.773   -0.041    4.789
 STN           HD11   H    H         0.000     -5.412    0.088    4.251
 STN           CN     C    CH2       0.000     -3.139   -0.833   -0.042
 STN           HCN1   H    H         0.000     -4.156   -0.474    0.133
 STN           HCN2   H    H         0.000     -3.108   -1.916    0.094
 STN           N      N    N         0.000     -2.730   -0.498   -1.408
 STN           ON     O    OH1       0.000     -3.253    0.653   -2.042
 STN           HN     H    H         0.000     -2.885    0.732   -2.934
 STN           CM     C    C1        0.000     -1.855   -1.289   -2.062
 STN           HM     H    H         0.000     -1.457   -2.166   -1.580
 STN           OM     O    O         0.000     -1.516   -1.012   -3.192
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
 STN      OXT    n/a    C      START
 STN      C      OXT    CA     .
 STN      O      C      .      .
 STN      CA     C      CN     .
 STN      HA     CA     .      .
 STN      CB     CA     CG     .
 STN      HCB1   CB     .      .
 STN      HCB2   CB     .      .
 STN      CG     CB     CD1    .
 STN      HG     CG     .      .
 STN      CD2    CG     HD21   .
 STN      HD23   CD2    .      .
 STN      HD22   CD2    .      .
 STN      HD21   CD2    .      .
 STN      CD1    CG     HD11   .
 STN      HD13   CD1    .      .
 STN      HD12   CD1    .      .
 STN      HD11   CD1    .      .
 STN      CN     CA     N      .
 STN      HCN1   CN     .      .
 STN      HCN2   CN     .      .
 STN      N      CN     CM     .
 STN      ON     N      HN     .
 STN      HN     ON     .      .
 STN      CM     N      OM     .
 STN      HM     CM     .      .
 STN      OM     CM     .      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
 STN      CD1    CG        single      1.524    0.020
 STN      HD11   CD1       single      1.059    0.020
 STN      HD12   CD1       single      1.059    0.020
 STN      HD13   CD1       single      1.059    0.020
 STN      CG     CB        single      1.524    0.020
 STN      CD2    CG        single      1.524    0.020
 STN      HG     CG        single      1.099    0.020
 STN      CN     CA        single      1.524    0.020
 STN      N      CN        single      1.455    0.020
 STN      HCN1   CN        single      1.092    0.020
 STN      HCN2   CN        single      1.092    0.020
 STN      CB     CA        single      1.524    0.020
 STN      CA     C         single      1.500    0.020
 STN      HA     CA        single      1.099    0.020
 STN      HCB1   CB        single      1.092    0.020
 STN      HCB2   CB        single      1.092    0.020
 STN      HD21   CD2       single      1.059    0.020
 STN      HD22   CD2       single      1.059    0.020
 STN      HD23   CD2       single      1.059    0.020
 STN      O      C         deloc       1.250    0.020
 STN      C      OXT       deloc       1.250    0.020
 STN      CM     N         single      1.260    0.020
 STN      OM     CM        double      1.220    0.020
 STN      HM     CM        single      1.077    0.020
 STN      ON     N         single      1.392    0.020
 STN      HN     ON        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
 STN      OXT    C      O       123.000    3.000
 STN      OXT    C      CA      118.500    3.000
 STN      O      C      CA      118.500    3.000
 STN      C      CA     HA      108.810    3.000
 STN      C      CA     CB      109.470    3.000
 STN      C      CA     CN      109.470    3.000
 STN      HA     CA     CB      108.340    3.000
 STN      HA     CA     CN      108.340    3.000
 STN      CB     CA     CN      109.470    3.000
 STN      CA     CB     HCB1    109.470    3.000
 STN      CA     CB     HCB2    109.470    3.000
 STN      CA     CB     CG      111.000    3.000
 STN      HCB1   CB     HCB2    107.900    3.000
 STN      HCB1   CB     CG      109.470    3.000
 STN      HCB2   CB     CG      109.470    3.000
 STN      CB     CG     HG      108.340    3.000
 STN      CB     CG     CD2     111.000    3.000
 STN      CB     CG     CD1     111.000    3.000
 STN      HG     CG     CD2     108.340    3.000
 STN      HG     CG     CD1     108.340    3.000
 STN      CD2    CG     CD1     111.000    3.000
 STN      CG     CD2    HD23    109.470    3.000
 STN      CG     CD2    HD22    109.470    3.000
 STN      CG     CD2    HD21    109.470    3.000
 STN      HD23   CD2    HD22    109.470    3.000
 STN      HD23   CD2    HD21    109.470    3.000
 STN      HD22   CD2    HD21    109.470    3.000
 STN      CG     CD1    HD13    109.470    3.000
 STN      CG     CD1    HD12    109.470    3.000
 STN      CG     CD1    HD11    109.470    3.000
 STN      HD13   CD1    HD12    109.470    3.000
 STN      HD13   CD1    HD11    109.470    3.000
 STN      HD12   CD1    HD11    109.470    3.000
 STN      CA     CN     HCN1    109.470    3.000
 STN      CA     CN     HCN2    109.470    3.000
 STN      CA     CN     N       105.000    3.000
 STN      HCN1   CN     HCN2    107.900    3.000
 STN      HCN1   CN     N       109.470    3.000
 STN      HCN2   CN     N       109.470    3.000
 STN      CN     N      ON      120.000    3.000
 STN      CN     N      CM      120.000    3.000
 STN      ON     N      CM      120.000    3.000
 STN      N      ON     HN      109.470    3.000
 STN      N      CM     HM      120.000    3.000
 STN      N      CM     OM      120.000    3.000
 STN      HM     CM     OM      123.000    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
 STN      var_1    OXT    C      CA     CN        95.866   20.000   3
 STN      var_2    C      CA     CB     CG       174.155   20.000   3
 STN      var_3    CA     CB     CG     CD1      174.675   20.000   3
 STN      var_4    CB     CG     CD2    HD21     -57.614   20.000   3
 STN      var_5    CB     CG     CD1    HD11    -179.949   20.000   3
 STN      var_6    C      CA     CN     N        -60.050   20.000   3
 STN      var_7    CA     CN     N      CM        90.020   20.000   1
 STN      var_8    CN     N      ON     HN      -179.985   20.000   1
 STN      var_9    CN     N      CM     OM       179.980   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
 STN      chir_01  CG     CD1    CB     CD2       positiv
 STN      chir_02  CA     CN     CB     C         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
 STN      plan-1    C         0.020
 STN      plan-1    CA        0.020
 STN      plan-1    O         0.020
 STN      plan-1    OXT       0.020
 STN      plan-2    CM        0.020
 STN      plan-2    N         0.020
 STN      plan-2    OM        0.020
 STN      plan-2    HM        0.020
 STN      plan-3    N         0.020
 STN      plan-3    CN        0.020
 STN      plan-3    CM        0.020
 STN      plan-3    ON        0.020
 STN      plan-3    HM        0.020
# ------------------------------------------------------
