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
SET      SET 'AMINOSERINE                         ' non-polymer        15   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SET
#
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
 SET           O      O    O         0.000      0.000    0.000    0.000
 SET           C      C    C         0.000     -1.107    0.445    0.216
 SET           NT     N    NH2       0.000     -1.468    0.770    1.473
 SET           HNT2   H    H         0.000     -2.391    1.142    1.659
 SET           HNT1   H    H         0.000     -0.818    0.644    2.239
 SET           CA     C    CH1       0.000     -2.078    0.633   -0.919
 SET           HA     H    H         0.000     -2.747    1.475   -0.693
 SET           N      N    NH2       0.000     -1.337    0.916   -2.156
 SET           H2     H    H         0.000     -0.333    1.051   -2.130
 SET           H      H    H         0.000     -1.824    0.978   -3.042
 SET           CB     C    CH2       0.000     -2.905   -0.640   -1.102
 SET           HB2    H    H         0.000     -3.455   -0.850   -0.182
 SET           HB3    H    H         0.000     -2.239   -1.476   -1.325
 SET           OG     O    OH1       0.000     -3.826   -0.461   -2.179
 SET           HG     H    H         0.000     -4.348   -1.266   -2.293
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
 SET      O      n/a    C      START
 SET      C      O      CA     .
 SET      NT     C      HNT1   .
 SET      HNT2   NT     .      .
 SET      HNT1   NT     .      .
 SET      CA     C      CB     .
 SET      HA     CA     .      .
 SET      N      CA     H      .
 SET      H2     N      .      .
 SET      H      N      .      .
 SET      CB     CA     OG     .
 SET      HB2    CB     .      .
 SET      HB3    CB     .      .
 SET      OG     CB     HG     .
 SET      HG     OG     .      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
 SET      N      CA        single      1.450    0.020
 SET      H      N         single      1.010    0.020
 SET      H2     N         single      1.010    0.020
 SET      CB     CA        single      1.524    0.020
 SET      CA     C         single      1.500    0.020
 SET      HA     CA        single      1.099    0.020
 SET      OG     CB        single      1.432    0.020
 SET      HB2    CB        single      1.092    0.020
 SET      HB3    CB        single      1.092    0.020
 SET      HG     OG        single      0.967    0.020
 SET      NT     C         single      1.332    0.020
 SET      HNT1   NT        single      1.010    0.020
 SET      HNT2   NT        single      1.010    0.020
 SET      C      O         double      1.220    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
 SET      O      C      NT      123.000    3.000
 SET      O      C      CA      120.500    3.000
 SET      NT     C      CA      120.000    3.000
 SET      C      NT     HNT2    120.000    3.000
 SET      C      NT     HNT1    120.000    3.000
 SET      HNT2   NT     HNT1    120.000    3.000
 SET      C      CA     HA      108.810    3.000
 SET      C      CA     N       109.470    3.000
 SET      C      CA     CB      109.470    3.000
 SET      HA     CA     N       109.470    3.000
 SET      HA     CA     CB      108.340    3.000
 SET      N      CA     CB      109.470    3.000
 SET      CA     N      H2      120.000    3.000
 SET      CA     N      H       120.000    3.000
 SET      H2     N      H       120.000    3.000
 SET      CA     CB     HB2     109.470    3.000
 SET      CA     CB     HB3     109.470    3.000
 SET      CA     CB     OG      109.470    3.000
 SET      HB2    CB     HB3     107.900    3.000
 SET      HB2    CB     OG      109.470    3.000
 SET      HB3    CB     OG      109.470    3.000
 SET      CB     OG     HG      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
 SET      CONST_1  O      C      NT     HNT1       0.000    0.000   0
 SET      var_1    O      C      CA     CB        89.966   20.000   3
 SET      var_2    C      CA     N      H        173.771   20.000   1
 SET      var_3    C      CA     CB     OG      -179.965   20.000   3
 SET      var_4    CA     CB     OG     HG      -179.967   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
 SET      chir_01  CA     N      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
 SET      plan-1    N         0.020
 SET      plan-1    CA        0.020
 SET      plan-1    H         0.020
 SET      plan-1    H2        0.020
 SET      plan-2    NT        0.020
 SET      plan-2    C         0.020
 SET      plan-2    HNT1      0.020
 SET      plan-2    HNT2      0.020
 SET      plan-3    C         0.020
 SET      plan-3    CA        0.020
 SET      plan-3    NT        0.020
 SET      plan-3    O         0.020
 SET      plan-3    HNT2      0.020
 SET      plan-3    HNT1      0.020
# ------------------------------------------------------
