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
CP       CP  'PHOSPHORIC ACID MONO(FORMAMIDE)ESTER' non-polymer        10   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CP
#
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
 CP            O3P    O    OP       -0.666      0.000    0.000    0.000
 CP            P      P    P         0.000     -1.344   -0.592   -0.362
 CP            O1P    O    OP       -0.666     -1.323   -2.084   -0.109
 CP            O2P    O    OP       -0.666     -1.632   -0.334   -1.825
 CP            O4P    O    O2        0.000     -2.491    0.088    0.539
 CP            C      C    C         0.000     -2.442   -0.013    1.880
 CP            O      O    O         0.000     -1.532   -0.617    2.410
 CP            N      N    NH2       0.000     -3.402    0.557    2.634
 CP            HN2    H    H         0.000     -3.369    0.483    3.644
 CP            HN1    H    H         0.000     -4.163    1.062    2.197
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
 CP       O3P    n/a    P      START
 CP       P      O3P    O4P    .
 CP       O1P    P      .      .
 CP       O2P    P      .      .
 CP       O4P    P      C      .
 CP       C      O4P    N      .
 CP       O      C      .      .
 CP       N      C      HN1    .
 CP       HN2    N      .      .
 CP       HN1    N      .      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
 CP       N      C         single      1.332    0.020
 CP       HN1    N         single      1.010    0.020
 CP       HN2    N         single      1.010    0.020
 CP       O      C         double      1.220    0.020
 CP       C      O4P       single      1.454    0.020
 CP       O4P    P         single      1.610    0.020
 CP       O1P    P         deloc       1.510    0.020
 CP       O2P    P         deloc       1.510    0.020
 CP       P      O3P       deloc       1.510    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
 CP       O3P    P      O1P     119.900    3.000
 CP       O3P    P      O2P     119.900    3.000
 CP       O3P    P      O4P     108.200    3.000
 CP       O1P    P      O2P     119.900    3.000
 CP       O1P    P      O4P     108.200    3.000
 CP       O2P    P      O4P     108.200    3.000
 CP       P      O4P    C       120.000    3.000
 CP       O4P    C      O       119.000    3.000
 CP       O4P    C      N       120.000    3.000
 CP       O      C      N       123.000    3.000
 CP       C      N      HN2     120.000    3.000
 CP       C      N      HN1     120.000    3.000
 CP       HN2    N      HN1     120.000    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
 CP       var_1    O3P    P      O4P    C        -59.968   20.000   1
 CP       var_2    P      O4P    C      N        179.978   20.000   1
 CP       CONST_1  O4P    C      N      HN1        0.000    0.000   0
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
 CP       plan-1    N         0.020
 CP       plan-1    C         0.020
 CP       plan-1    HN1       0.020
 CP       plan-1    HN2       0.020
 CP       plan-2    C         0.020
 CP       plan-2    N         0.020
 CP       plan-2    O         0.020
 CP       plan-2    O4P       0.020
 CP       plan-2    HN2       0.020
 CP       plan-2    HN1       0.020
# ------------------------------------------------------
