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
RGI      RGI 'METHYLCARBAMIC ACID                 ' non-polymer        10   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_RGI
#
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
 RGI           O      O    O         0.000      0.000    0.000    0.000
 RGI           C      C    C         0.000     -1.118    0.475    0.000
 RGI           OXT    O    OH1       0.000     -2.193   -0.335    0.000
 RGI           HXT    H    H         0.000     -1.905   -1.260    0.000
 RGI           N      N    NH1       0.000     -1.282    1.812    0.000
 RGI           HA     H    H         0.000     -2.212    2.207    0.000
 RGI           C1     C    CH3       0.000     -0.111    2.694    0.000
 RGI           HB3    H    H         0.000      0.474    2.509   -0.864
 RGI           HA2    H    H         0.000     -0.427    3.706   -0.001
 RGI           H1C1   H    H         0.000      0.474    2.510    0.865
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
 RGI      O      n/a    C      START
 RGI      C      O      N      .
 RGI      OXT    C      HXT    .
 RGI      HXT    OXT    .      .
 RGI      N      C      C1     .
 RGI      HA     N      .      .
 RGI      C1     N      H1C1   .
 RGI      HB3    C1     .      .
 RGI      HA2    C1     .      .
 RGI      H1C1   C1     .      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
 RGI      C1     N         single      1.450    0.020
 RGI      H1C1   C1        single      1.059    0.020
 RGI      HA2    C1        single      1.059    0.020
 RGI      HB3    C1        single      1.059    0.020
 RGI      C      O         double      1.220    0.020
 RGI      N      C         single      1.330    0.020
 RGI      OXT    C         single      1.330    0.020
 RGI      HA     N         single      1.010    0.020
 RGI      HXT    OXT       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
 RGI      O      C      OXT     119.000    3.000
 RGI      O      C      N       123.000    3.000
 RGI      OXT    C      N       120.000    3.000
 RGI      C      OXT    HXT     109.470    3.000
 RGI      C      N      HA      120.000    3.000
 RGI      C      N      C1      121.500    3.000
 RGI      HA     N      C1      118.500    3.000
 RGI      N      C1     HB3     109.470    3.000
 RGI      N      C1     HA2     109.470    3.000
 RGI      N      C1     H1C1    109.470    3.000
 RGI      HB3    C1     HA2     109.470    3.000
 RGI      HB3    C1     H1C1    109.470    3.000
 RGI      HA2    C1     H1C1    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
 RGI      var_1    O      C      OXT    HXT        0.000   20.000   1
 RGI      CONST_1  O      C      N      C1         0.000    0.000   0
 RGI      var_2    C      N      C1     H1C1     -60.047   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
 RGI      plan-1    C         0.020
 RGI      plan-1    O         0.020
 RGI      plan-1    N         0.020
 RGI      plan-1    OXT       0.020
 RGI      plan-1    HA        0.020
 RGI      plan-2    N         0.020
 RGI      plan-2    C1        0.020
 RGI      plan-2    C         0.020
 RGI      plan-2    HA        0.020
# ------------------------------------------------------
