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
TCX      TCX 'ethylphosphoramidic acid            ' non-polymer        15   7 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_TCX
#
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
 TCX           O2     O    O         0.000      0.000    0.000    0.000
 TCX           P      P    P         0.000     -1.458   -0.058    0.247
 TCX           OXT    O    OH1       0.000     -2.040   -1.454   -0.304
 TCX           HXT    H    H         0.000     -1.953   -1.678   -1.241
 TCX           O3     O    OH1       0.000     -2.181    1.163   -0.514
 TCX           H3     H    H         0.000     -3.140    1.270   -0.455
 TCX           N      N    NH1       0.000     -1.752    0.058    1.900
 TCX           HN1    H    H         0.000     -1.033    0.153    2.604
 TCX           C3     C    CH2       0.000     -3.192    0.003    2.184
 TCX           H31C   H    H         0.000     -3.722   -0.362    1.302
 TCX           H32C   H    H         0.000     -3.551    1.003    2.435
 TCX           C4     C    CH3       0.000     -3.444   -0.942    3.361
 TCX           H43C   H    H         0.000     -3.097   -1.914    3.118
 TCX           H42C   H    H         0.000     -2.929   -0.590    4.218
 TCX           H41C   H    H         0.000     -4.483   -0.983    3.569
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
 TCX      O2     n/a    P      START
 TCX      P      O2     N      .
 TCX      OXT    P      HXT    .
 TCX      HXT    OXT    .      .
 TCX      O3     P      H3     .
 TCX      H3     O3     .      .
 TCX      N      P      C3     .
 TCX      HN1    N      .      .
 TCX      C3     N      C4     .
 TCX      H31C   C3     .      .
 TCX      H32C   C3     .      .
 TCX      C4     C3     H41C   .
 TCX      H43C   C4     .      .
 TCX      H42C   C4     .      .
 TCX      H41C   C4     .      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
 TCX      C4     C3        single      1.513    0.020
 TCX      C3     N         single      1.450    0.020
 TCX      N      P         single      1.750    0.020
 TCX      O3     P         single      1.610    0.020
 TCX      P      O2        double      1.480    0.020
 TCX      OXT    P         single      1.610    0.020
 TCX      H41C   C4        single      1.059    0.020
 TCX      H42C   C4        single      1.059    0.020
 TCX      H43C   C4        single      1.059    0.020
 TCX      H31C   C3        single      1.092    0.020
 TCX      H32C   C3        single      1.092    0.020
 TCX      HN1    N         single      1.010    0.020
 TCX      H3     O3        single      0.967    0.020
 TCX      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
 TCX      O2     P      OXT     109.500    3.000
 TCX      O2     P      O3      109.500    3.000
 TCX      O2     P      N       109.500    3.000
 TCX      OXT    P      O3      109.500    3.000
 TCX      OXT    P      N       109.500    3.000
 TCX      O3     P      N       109.500    3.000
 TCX      P      OXT    HXT     120.000    3.000
 TCX      P      O3     H3      120.000    3.000
 TCX      P      N      HN1     120.000    3.000
 TCX      P      N      C3      120.000    3.000
 TCX      HN1    N      C3      118.500    3.000
 TCX      N      C3     H31C    109.470    3.000
 TCX      N      C3     H32C    109.470    3.000
 TCX      N      C3     C4      112.000    3.000
 TCX      H31C   C3     H32C    107.900    3.000
 TCX      H31C   C3     C4      109.470    3.000
 TCX      H32C   C3     C4      109.470    3.000
 TCX      C3     C4     H43C    109.470    3.000
 TCX      C3     C4     H42C    109.470    3.000
 TCX      C3     C4     H41C    109.470    3.000
 TCX      H43C   C4     H42C    109.470    3.000
 TCX      H43C   C4     H41C    109.470    3.000
 TCX      H42C   C4     H41C    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
 TCX      var_1    O2     P      OXT    HXT      -60.043   20.000   1
 TCX      var_2    O2     P      O3     H3       179.978   20.000   1
 TCX      var_3    O2     P      N      C3      -179.967   20.000   1
 TCX      var_4    P      N      C3     C4       134.967   20.000   3
 TCX      var_5    N      C3     C4     H41C     179.943   20.000   3
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
 TCX      plan-1    N         0.020
 TCX      plan-1    C3        0.000
 TCX      plan-1    P         0.000
 TCX      plan-1    HN1       0.000
# ------------------------------------------------------
