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
UVW      UVW 'ACETYLPHOSPHATE                     ' non-polymer        11   8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_UVW
#
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
 UVW           O3P    O    OP       -0.666      0.000    0.000    0.000
 UVW           P      P    P         0.000     -1.347   -0.589   -0.356
 UVW           O1P    O    OP       -0.666     -1.327   -2.082   -0.111
 UVW           O2P    O    OP       -0.666     -1.646   -0.322   -1.815
 UVW           O2     O    O2       -0.500     -2.482    0.080    0.648
 UVW           C1     C    C         0.000     -2.428   -0.021    1.893
 UVW           O1     O    O        -0.500     -1.487   -0.648    2.430
 UVW           C1M    C    CH3       0.000     -3.495    0.613    2.749
 UVW           H1M3   H    H         0.000     -3.511    1.659    2.579
 UVW           H1M2   H    H         0.000     -4.440    0.202    2.501
 UVW           H1M1   H    H         0.000     -3.288    0.426    3.771
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
 UVW      O3P    n/a    P      START
 UVW      P      O3P    O2     .
 UVW      O1P    P      .      .
 UVW      O2P    P      .      .
 UVW      O2     P      C1     .
 UVW      C1     O2     C1M    .
 UVW      O1     C1     .      .
 UVW      C1M    C1     H1M1   .
 UVW      H1M3   C1M    .      .
 UVW      H1M2   C1M    .      .
 UVW      H1M1   C1M    .      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
 UVW      O1     C1        deloc       1.220    0.020
 UVW      C1M    C1        single      1.500    0.020
 UVW      C1     O2        deloc       1.454    0.020
 UVW      H1M1   C1M       single      1.059    0.020
 UVW      H1M2   C1M       single      1.059    0.020
 UVW      H1M3   C1M       single      1.059    0.020
 UVW      O2     P         single      1.610    0.020
 UVW      O1P    P         deloc       1.510    0.020
 UVW      O2P    P         deloc       1.510    0.020
 UVW      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
 UVW      O3P    P      O1P     119.900    3.000
 UVW      O3P    P      O2P     119.900    3.000
 UVW      O3P    P      O2      108.200    3.000
 UVW      O1P    P      O2P     119.900    3.000
 UVW      O1P    P      O2      108.200    3.000
 UVW      O2P    P      O2      108.200    3.000
 UVW      P      O2     C1      120.000    3.000
 UVW      O2     C1     O1      119.000    3.000
 UVW      O2     C1     C1M     120.000    3.000
 UVW      O1     C1     C1M     123.000    3.000
 UVW      C1     C1M    H1M3    109.470    3.000
 UVW      C1     C1M    H1M2    109.470    3.000
 UVW      C1     C1M    H1M1    109.470    3.000
 UVW      H1M3   C1M    H1M2    109.470    3.000
 UVW      H1M3   C1M    H1M1    109.470    3.000
 UVW      H1M2   C1M    H1M1    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
 UVW      var_1    O3P    P      O2     C1       -59.205   20.000   1
 UVW      var_2    P      O2     C1     C1M      179.969   20.000   1
 UVW      var_3    O2     C1     C1M    H1M1     179.992   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
 UVW      plan-1    C1        0.020
 UVW      plan-1    O1        0.000
 UVW      plan-1    C1M       0.000
 UVW      plan-1    O2        0.000
# ------------------------------------------------------
