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
SRI      SRI '(2Z)-3-HYDROXY-2-IMINOPROPANOIC ACID' non-polymer        11   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SRI
#
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
 SRI           O      O    OC       -0.500      0.000    0.000    0.000
 SRI           C      C    C         0.000     -0.695   -0.723   -0.747
 SRI           OXT    O    OC       -0.500     -0.457   -1.069   -1.926
 SRI           CA     C    C         0.000     -1.953   -1.121   -0.035
 SRI           N      N    N         0.000     -1.936   -2.218    0.643
 SRI           HN     H    H         0.000     -2.717   -2.512    1.115
 SRI           CB     C    CH2       0.000     -3.147   -0.216   -0.138
 SRI           HB1    H    H         0.000     -4.064   -0.803   -0.049
 SRI           HB2    H    H         0.000     -3.138    0.300   -1.100
 SRI           OG     O    OH1       0.000     -3.090    0.733    0.908
 SRI           HOG    H    H         0.000     -3.326    0.304    1.741
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
 SRI      O      n/a    C      START
 SRI      C      O      CA     .
 SRI      OXT    C      .      .
 SRI      CA     C      CB     .
 SRI      N      CA     HN     .
 SRI      HN     N      .      .
 SRI      CB     CA     OG     .
 SRI      HB1    CB     .      .
 SRI      HB2    CB     .      .
 SRI      OG     CB     HOG    .
 SRI      HOG    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
 SRI      OXT    C         deloc       1.250    0.020
 SRI      CA     C         single      1.460    0.020
 SRI      C      O         deloc       1.250    0.020
 SRI      N      CA        double      1.260    0.020
 SRI      CB     CA        single      1.510    0.020
 SRI      HN     N         single      0.954    0.020
 SRI      OG     CB        single      1.432    0.020
 SRI      HB1    CB        single      1.092    0.020
 SRI      HB2    CB        single      1.092    0.020
 SRI      HOG    OG        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
 SRI      O      C      OXT     123.000    3.000
 SRI      O      C      CA      120.000    3.000
 SRI      OXT    C      CA      120.000    3.000
 SRI      C      CA     N       116.500    3.000
 SRI      C      CA     CB      120.000    3.000
 SRI      N      CA     CB      116.500    3.000
 SRI      CA     N      HN      120.000    3.000
 SRI      CA     CB     HB1     109.470    3.000
 SRI      CA     CB     HB2     109.470    3.000
 SRI      CA     CB     OG      109.500    3.000
 SRI      HB1    CB     HB2     107.900    3.000
 SRI      HB1    CB     OG      109.470    3.000
 SRI      HB2    CB     OG      109.470    3.000
 SRI      CB     OG     HOG     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
 SRI      var_1    O      C      CA     CB        88.297   20.000   1
 SRI      CONST_1  C      CA     N      HN       180.000    0.000   0
 SRI      var_2    C      CA     CB     OG       -89.126   20.000   3
 SRI      var_3    CA     CB     OG     HOG      -74.556   20.000   1
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
 SRI      plan-1    C         0.020
 SRI      plan-1    OXT       0.020
 SRI      plan-1    O         0.020
 SRI      plan-1    CA        0.020
 SRI      plan-2    CA        0.020
 SRI      plan-2    C         0.020
 SRI      plan-2    N         0.020
 SRI      plan-2    CB        0.020
 SRI      plan-2    HN        0.020
# ------------------------------------------------------
