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
NCP      NCP 'CIS-DIAMINODICHLOROPLATINUM         ' non-polymer         9   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_NCP
#
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
 NCP           CL2    CL   CL        0.000      0.000    0.000    0.000
 NCP           PT     PT   PT        0.000     -2.295   -0.551    0.011
 NCP           CL1    CL   CL        0.000     -3.580    1.430    0.022
 NCP           N2     N    NH2       0.000     -2.752   -1.668   -1.695
 NCP           HN22   H    H         0.000     -2.045   -1.846   -2.407
 NCP           HN21   H    H         0.000     -3.686   -2.049   -1.835
 NCP           N1     N    NH2       0.000     -2.734   -1.675    1.717
 NCP           HN12   H    H         0.000     -3.368   -1.317    2.429
 NCP           HN11   H    H         0.000     -2.319   -2.595    1.857
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
 NCP      CL2    n/a    PT     START
 NCP      PT     CL2    N1     .
 NCP      CL1    PT     .      .
 NCP      N2     PT     HN21   .
 NCP      HN22   N2     .      .
 NCP      HN21   N2     .      .
 NCP      N1     PT     HN11   .
 NCP      HN12   N1     .      .
 NCP      HN11   N1     .      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
 NCP      CL1    PT        single      2.425    0.020
 NCP      PT     CL2       single      2.425    0.020
 NCP      N1     PT        single      2.025    0.020
 NCP      N2     PT        single      2.025    0.020
 NCP      HN11   N1        single      1.010    0.020
 NCP      HN12   N1        single      1.010    0.020
 NCP      HN21   N2        single      1.010    0.020
 NCP      HN22   N2        single      1.010    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
 NCP      CL2    PT     CL1      90.000    3.000
 NCP      CL2    PT     N2       90.000    3.000
 NCP      CL2    PT     N1       90.000    3.000
 NCP      CL1    PT     N2       90.000    3.000
 NCP      CL1    PT     N1       90.000    3.000
 NCP      N2     PT     N1       90.000    3.000
 NCP      PT     N2     HN22    120.000    3.000
 NCP      PT     N2     HN21    120.000    3.000
 NCP      HN22   N2     HN21    120.000    3.000
 NCP      PT     N1     HN12    120.000    3.000
 NCP      PT     N1     HN11    120.000    3.000
 NCP      HN12   N1     HN11    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
 NCP      var_1    CL2    PT     N2     HN21     176.075   20.000   1
 NCP      var_2    CL2    PT     N1     HN11     -63.926   20.000   1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 NCP      chir_01  PT     CL2    CL1    N2        both
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
 NCP      plan-1    N1        0.020
 NCP      plan-1    PT        0.020
 NCP      plan-1    HN11      0.020
 NCP      plan-1    HN12      0.020
 NCP      plan-2    N2        0.020
 NCP      plan-2    PT        0.020
 NCP      plan-2    HN21      0.020
 NCP      plan-2    HN22      0.020
# ------------------------------------------------------
