File: LZP.cif

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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
LZP      LZP '4,4'-piperazine-1,4-diylbis{1-[3-(be' non-polymer        82  48 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_LZP
#
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
 LZP           O7     O    O         0.000      0.000    0.000    0.000
 LZP           C25    C    C         0.000      0.819   -0.878    0.162
 LZP           C27    C    CR6       0.000      2.215   -0.535    0.479
 LZP           C28    C    CR16      0.000      3.163   -1.547    0.666
 LZP           H28    H    H         0.000      2.870   -2.586    0.577
 LZP           C29    C    CR16      0.000      4.469   -1.220    0.964
 LZP           H29    H    H         0.000      5.202   -2.004    1.109
 LZP           C30    C    CR16      0.000      4.846    0.106    1.078
 LZP           H30    H    H         0.000      5.874    0.357    1.311
 LZP           C31    C    CR6       0.000      3.913    1.118    0.894
 LZP           O8     O    O2        0.000      4.292    2.419    1.007
 LZP           C32    C    CH2       0.000      5.664    2.671    1.318
 LZP           H32    H    H         0.000      6.298    2.246    0.537
 LZP           H32A   H    H         0.000      5.910    2.208    2.276
 LZP           C34    C    CR6       0.000      5.895    4.157    1.402
 LZP           C35    C    CR16      0.000      6.261    4.865    0.273
 LZP           H35    H    H         0.000      6.382    4.351   -0.672
 LZP           C36    C    CR16      0.000      6.473    6.229    0.350
 LZP           H36    H    H         0.000      6.761    6.783   -0.535
 LZP           C37    C    CR16      0.000      6.318    6.886    1.557
 LZP           H37    H    H         0.000      6.484    7.954    1.617
 LZP           C38    C    CR16      0.000      5.951    6.178    2.686
 LZP           H38    H    H         0.000      5.827    6.692    3.631
 LZP           C33    C    CR16      0.000      5.741    4.814    2.609
 LZP           H33    H    H         0.000      5.455    4.260    3.495
 LZP           C26    C    CR16      0.000      2.600    0.804    0.594
 LZP           H26    H    H         0.000      1.872    1.593    0.450
 LZP           C24    C    CH2       0.000      0.409   -2.323    0.038
 LZP           H24    H    H         0.000      0.601   -2.837    0.982
 LZP           H24A   H    H         0.000      0.986   -2.798   -0.758
 LZP           C23    C    C         0.000     -1.060   -2.402   -0.289
 LZP           O6     O    O         0.000     -1.707   -1.389   -0.410
 LZP           C22    C    C         0.000     -1.715   -3.729   -0.465
 LZP           O5     O    O         0.000     -1.043   -4.740   -0.489
 LZP           N2     N    N         0.000     -3.054   -3.808   -0.595
 LZP           C19    C    CH2       0.000     -3.871   -2.589   -0.668
 LZP           H19A   H    H         0.000     -4.351   -2.522   -1.646
 LZP           H19    H    H         0.000     -3.242   -1.711   -0.511
 LZP           C20    C    CH2       0.000     -3.722   -5.115   -0.669
 LZP           H20    H    H         0.000     -2.993   -5.913   -0.513
 LZP           H20A   H    H         0.000     -4.191   -5.237   -1.647
 LZP           C21    C    CH2       0.000     -4.795   -5.179    0.425
 LZP           H21    H    H         0.000     -4.321   -5.243    1.407
 LZP           H21A   H    H         0.000     -5.430   -6.054    0.272
 LZP           N1     N    N         0.000     -5.613   -3.960    0.353
 LZP           C18    C    CH2       0.000     -4.944   -2.654    0.426
 LZP           H18A   H    H         0.000     -4.475   -2.532    1.405
 LZP           H18    H    H         0.000     -5.673   -1.855    0.271
 LZP           C17    C    C         0.000     -6.953   -4.039    0.221
 LZP           O4     O    O         0.000     -7.501   -5.121    0.244
 LZP           C16    C    C         0.000     -7.758   -2.797    0.048
 LZP           O3     O    O         0.000     -7.236   -1.716    0.169
 LZP           C15    C    CH2       0.000     -9.227   -2.892   -0.279
 LZP           H15    H    H         0.000     -9.742   -3.434    0.516
 LZP           H15A   H    H         0.000     -9.355   -3.425   -1.224
 LZP           C14    C    C         0.000     -9.804   -1.506   -0.401
 LZP           O2     O    O         0.000     -9.094   -0.536   -0.238
 LZP           C12    C    CR6       0.000    -11.231   -1.328   -0.718
 LZP           C11    C    CR16      0.000    -12.053   -2.444   -0.906
 LZP           H11    H    H         0.000    -11.640   -3.441   -0.820
 LZP           C10    C    CR16      0.000    -13.389   -2.273   -1.202
 LZP           H10    H    H         0.000    -14.024   -3.138   -1.349
 LZP           C9     C    CR16      0.000    -13.920   -1.000   -1.313
 LZP           H9     H    H         0.000    -14.970   -0.872   -1.546
 LZP           C13    C    CR16      0.000    -11.770   -0.044   -0.831
 LZP           H13    H    H         0.000    -11.140    0.825   -0.686
 LZP           C8     C    CR6       0.000    -13.113    0.114   -1.128
 LZP           O1     O    O2        0.000    -13.641    1.362   -1.244
 LZP           C7     C    CH2       0.000    -15.031    1.451   -1.558
 LZP           H7     H    H         0.000    -15.613    0.956   -0.778
 LZP           H7A    H    H         0.000    -15.219    0.961   -2.516
 LZP           C5     C    CR6       0.000    -15.435    2.900   -1.645
 LZP           C6     C    CR16      0.000    -15.886    3.561   -0.519
 LZP           H6     H    H         0.000    -15.949    3.038    0.427
 LZP           C1     C    CR16      0.000    -16.256    4.891   -0.599
 LZP           H1     H    H         0.000    -16.609    5.409    0.285
 LZP           C4     C    CR16      0.000    -15.356    3.567   -2.853
 LZP           H4     H    H         0.000    -15.003    3.049   -3.736
 LZP           C3     C    CR16      0.000    -15.727    4.897   -2.934
 LZP           H3     H    H         0.000    -15.665    5.420   -3.880
 LZP           C2     C    CR16      0.000    -16.177    5.559   -1.806
 LZP           H2     H    H         0.000    -16.467    6.600   -1.869
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
 LZP      O7     n/a    C25    START
 LZP      C25    O7     C24    .
 LZP      C27    C25    C28    .
 LZP      C28    C27    C29    .
 LZP      H28    C28    .      .
 LZP      C29    C28    C30    .
 LZP      H29    C29    .      .
 LZP      C30    C29    C31    .
 LZP      H30    C30    .      .
 LZP      C31    C30    C26    .
 LZP      O8     C31    C32    .
 LZP      C32    O8     C34    .
 LZP      H32    C32    .      .
 LZP      H32A   C32    .      .
 LZP      C34    C32    C35    .
 LZP      C35    C34    C36    .
 LZP      H35    C35    .      .
 LZP      C36    C35    C37    .
 LZP      H36    C36    .      .
 LZP      C37    C36    C38    .
 LZP      H37    C37    .      .
 LZP      C38    C37    C33    .
 LZP      H38    C38    .      .
 LZP      C33    C38    H33    .
 LZP      H33    C33    .      .
 LZP      C26    C31    H26    .
 LZP      H26    C26    .      .
 LZP      C24    C25    C23    .
 LZP      H24    C24    .      .
 LZP      H24A   C24    .      .
 LZP      C23    C24    C22    .
 LZP      O6     C23    .      .
 LZP      C22    C23    N2     .
 LZP      O5     C22    .      .
 LZP      N2     C22    C20    .
 LZP      C19    N2     H19    .
 LZP      H19A   C19    .      .
 LZP      H19    C19    .      .
 LZP      C20    N2     C21    .
 LZP      H20    C20    .      .
 LZP      H20A   C20    .      .
 LZP      C21    C20    N1     .
 LZP      H21    C21    .      .
 LZP      H21A   C21    .      .
 LZP      N1     C21    C17    .
 LZP      C18    N1     H18    .
 LZP      H18A   C18    .      .
 LZP      H18    C18    .      .
 LZP      C17    N1     C16    .
 LZP      O4     C17    .      .
 LZP      C16    C17    C15    .
 LZP      O3     C16    .      .
 LZP      C15    C16    C14    .
 LZP      H15    C15    .      .
 LZP      H15A   C15    .      .
 LZP      C14    C15    C12    .
 LZP      O2     C14    .      .
 LZP      C12    C14    C13    .
 LZP      C11    C12    C10    .
 LZP      H11    C11    .      .
 LZP      C10    C11    C9     .
 LZP      H10    C10    .      .
 LZP      C9     C10    H9     .
 LZP      H9     C9     .      .
 LZP      C13    C12    C8     .
 LZP      H13    C13    .      .
 LZP      C8     C13    O1     .
 LZP      O1     C8     C7     .
 LZP      C7     O1     C5     .
 LZP      H7     C7     .      .
 LZP      H7A    C7     .      .
 LZP      C5     C7     C4     .
 LZP      C6     C5     C1     .
 LZP      H6     C6     .      .
 LZP      C1     C6     H1     .
 LZP      H1     C1     .      .
 LZP      C4     C5     C3     .
 LZP      H4     C4     .      .
 LZP      C3     C4     C2     .
 LZP      H3     C3     .      .
 LZP      C2     C3     H2     .
 LZP      H2     C2     .      END
 LZP      C1     C2     .    ADD
 LZP      C8     C9     .    ADD
 LZP      C18    C19    .    ADD
 LZP      C26    C27    .    ADD
 LZP      C33    C34    .    ADD
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
 LZP      C1     C2        double      1.390    0.020
 LZP      C1     C6        single      1.390    0.020
 LZP      C2     C3        single      1.390    0.020
 LZP      C3     C4        double      1.390    0.020
 LZP      C4     C5        single      1.390    0.020
 LZP      C6     C5        double      1.390    0.020
 LZP      C5     C7        single      1.511    0.020
 LZP      C7     O1        single      1.426    0.020
 LZP      C8     C9        double      1.390    0.020
 LZP      C8     C13       single      1.390    0.020
 LZP      O1     C8        single      1.370    0.020
 LZP      C9     C10       single      1.390    0.020
 LZP      C10    C11       double      1.390    0.020
 LZP      C11    C12       single      1.390    0.020
 LZP      C13    C12       double      1.390    0.020
 LZP      C12    C14       single      1.500    0.020
 LZP      C14    C15       single      1.510    0.020
 LZP      O2     C14       double      1.220    0.020
 LZP      C15    C16       single      1.510    0.020
 LZP      C16    C17       single      1.460    0.020
 LZP      O3     C16       double      1.220    0.020
 LZP      C17    N1        single      1.330    0.020
 LZP      O4     C17       double      1.220    0.020
 LZP      C18    C19       single      1.524    0.020
 LZP      C18    N1        single      1.455    0.020
 LZP      C19    N2        single      1.455    0.020
 LZP      C21    C20       single      1.524    0.020
 LZP      C20    N2        single      1.455    0.020
 LZP      N1     C21       single      1.455    0.020
 LZP      N2     C22       single      1.330    0.020
 LZP      C22    C23       single      1.460    0.020
 LZP      O5     C22       double      1.220    0.020
 LZP      C23    C24       single      1.510    0.020
 LZP      O6     C23       double      1.220    0.020
 LZP      C24    C25       single      1.510    0.020
 LZP      C27    C25       single      1.500    0.020
 LZP      C25    O7        double      1.220    0.020
 LZP      C26    C27       double      1.390    0.020
 LZP      C26    C31       single      1.390    0.020
 LZP      C28    C27       single      1.390    0.020
 LZP      C29    C28       double      1.390    0.020
 LZP      C30    C29       single      1.390    0.020
 LZP      C31    C30       double      1.390    0.020
 LZP      O8     C31       single      1.370    0.020
 LZP      C34    C32       single      1.511    0.020
 LZP      C32    O8        single      1.426    0.020
 LZP      C33    C34       double      1.390    0.020
 LZP      C33    C38       single      1.390    0.020
 LZP      C35    C34       single      1.390    0.020
 LZP      C36    C35       double      1.390    0.020
 LZP      C37    C36       single      1.390    0.020
 LZP      C38    C37       double      1.390    0.020
 LZP      H1     C1        single      1.083    0.020
 LZP      H2     C2        single      1.083    0.020
 LZP      H3     C3        single      1.083    0.020
 LZP      H4     C4        single      1.083    0.020
 LZP      H6     C6        single      1.083    0.020
 LZP      H7     C7        single      1.092    0.020
 LZP      H7A    C7        single      1.092    0.020
 LZP      H9     C9        single      1.083    0.020
 LZP      H10    C10       single      1.083    0.020
 LZP      H11    C11       single      1.083    0.020
 LZP      H13    C13       single      1.083    0.020
 LZP      H15    C15       single      1.092    0.020
 LZP      H15A   C15       single      1.092    0.020
 LZP      H18    C18       single      1.092    0.020
 LZP      H18A   C18       single      1.092    0.020
 LZP      H19    C19       single      1.092    0.020
 LZP      H19A   C19       single      1.092    0.020
 LZP      H20    C20       single      1.092    0.020
 LZP      H20A   C20       single      1.092    0.020
 LZP      H21    C21       single      1.092    0.020
 LZP      H21A   C21       single      1.092    0.020
 LZP      H24    C24       single      1.092    0.020
 LZP      H24A   C24       single      1.092    0.020
 LZP      H26    C26       single      1.083    0.020
 LZP      H28    C28       single      1.083    0.020
 LZP      H29    C29       single      1.083    0.020
 LZP      H30    C30       single      1.083    0.020
 LZP      H32    C32       single      1.092    0.020
 LZP      H32A   C32       single      1.092    0.020
 LZP      H33    C33       single      1.083    0.020
 LZP      H35    C35       single      1.083    0.020
 LZP      H36    C36       single      1.083    0.020
 LZP      H37    C37       single      1.083    0.020
 LZP      H38    C38       single      1.083    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
 LZP      O7     C25    C27     120.500    3.000
 LZP      O7     C25    C24     120.500    3.000
 LZP      C27    C25    C24     120.000    3.000
 LZP      C25    C27    C28     120.000    3.000
 LZP      C25    C27    C26     120.000    3.000
 LZP      C28    C27    C26     120.000    3.000
 LZP      C27    C28    H28     120.000    3.000
 LZP      C27    C28    C29     120.000    3.000
 LZP      H28    C28    C29     120.000    3.000
 LZP      C28    C29    H29     120.000    3.000
 LZP      C28    C29    C30     120.000    3.000
 LZP      H29    C29    C30     120.000    3.000
 LZP      C29    C30    H30     120.000    3.000
 LZP      C29    C30    C31     120.000    3.000
 LZP      H30    C30    C31     120.000    3.000
 LZP      C30    C31    O8      120.000    3.000
 LZP      C30    C31    C26     120.000    3.000
 LZP      O8     C31    C26     120.000    3.000
 LZP      C31    O8     C32     120.000    3.000
 LZP      O8     C32    H32     109.470    3.000
 LZP      O8     C32    H32A    109.470    3.000
 LZP      O8     C32    C34     109.470    3.000
 LZP      H32    C32    H32A    107.900    3.000
 LZP      H32    C32    C34     109.470    3.000
 LZP      H32A   C32    C34     109.470    3.000
 LZP      C32    C34    C35     120.000    3.000
 LZP      C32    C34    C33     120.000    3.000
 LZP      C35    C34    C33     120.000    3.000
 LZP      C34    C35    H35     120.000    3.000
 LZP      C34    C35    C36     120.000    3.000
 LZP      H35    C35    C36     120.000    3.000
 LZP      C35    C36    H36     120.000    3.000
 LZP      C35    C36    C37     120.000    3.000
 LZP      H36    C36    C37     120.000    3.000
 LZP      C36    C37    H37     120.000    3.000
 LZP      C36    C37    C38     120.000    3.000
 LZP      H37    C37    C38     120.000    3.000
 LZP      C37    C38    H38     120.000    3.000
 LZP      C37    C38    C33     120.000    3.000
 LZP      H38    C38    C33     120.000    3.000
 LZP      C38    C33    H33     120.000    3.000
 LZP      C38    C33    C34     120.000    3.000
 LZP      H33    C33    C34     120.000    3.000
 LZP      C31    C26    H26     120.000    3.000
 LZP      C31    C26    C27     120.000    3.000
 LZP      H26    C26    C27     120.000    3.000
 LZP      C25    C24    H24     109.470    3.000
 LZP      C25    C24    H24A    109.470    3.000
 LZP      C25    C24    C23     109.470    3.000
 LZP      H24    C24    H24A    107.900    3.000
 LZP      H24    C24    C23     109.470    3.000
 LZP      H24A   C24    C23     109.470    3.000
 LZP      C24    C23    O6      120.500    3.000
 LZP      C24    C23    C22     120.000    3.000
 LZP      O6     C23    C22     120.500    3.000
 LZP      C23    C22    O5      120.500    3.000
 LZP      C23    C22    N2      116.500    3.000
 LZP      O5     C22    N2      123.000    3.000
 LZP      C22    N2     C19     127.000    3.000
 LZP      C22    N2     C20     127.000    3.000
 LZP      C19    N2     C20     120.000    3.000
 LZP      N2     C19    H19A    109.470    3.000
 LZP      N2     C19    H19     109.470    3.000
 LZP      N2     C19    C18     105.000    3.000
 LZP      H19A   C19    H19     107.900    3.000
 LZP      H19A   C19    C18     109.470    3.000
 LZP      H19    C19    C18     109.470    3.000
 LZP      N2     C20    H20     109.470    3.000
 LZP      N2     C20    H20A    109.470    3.000
 LZP      N2     C20    C21     105.000    3.000
 LZP      H20    C20    H20A    107.900    3.000
 LZP      H20    C20    C21     109.470    3.000
 LZP      H20A   C20    C21     109.470    3.000
 LZP      C20    C21    H21     109.470    3.000
 LZP      C20    C21    H21A    109.470    3.000
 LZP      C20    C21    N1      105.000    3.000
 LZP      H21    C21    H21A    107.900    3.000
 LZP      H21    C21    N1      109.470    3.000
 LZP      H21A   C21    N1      109.470    3.000
 LZP      C21    N1     C18     120.000    3.000
 LZP      C21    N1     C17     127.000    3.000
 LZP      C18    N1     C17     127.000    3.000
 LZP      N1     C18    H18A    109.470    3.000
 LZP      N1     C18    H18     109.470    3.000
 LZP      N1     C18    C19     105.000    3.000
 LZP      H18A   C18    H18     107.900    3.000
 LZP      H18A   C18    C19     109.470    3.000
 LZP      H18    C18    C19     109.470    3.000
 LZP      N1     C17    O4      123.000    3.000
 LZP      N1     C17    C16     116.500    3.000
 LZP      O4     C17    C16     120.500    3.000
 LZP      C17    C16    O3      120.500    3.000
 LZP      C17    C16    C15     120.000    3.000
 LZP      O3     C16    C15     120.500    3.000
 LZP      C16    C15    H15     109.470    3.000
 LZP      C16    C15    H15A    109.470    3.000
 LZP      C16    C15    C14     109.470    3.000
 LZP      H15    C15    H15A    107.900    3.000
 LZP      H15    C15    C14     109.470    3.000
 LZP      H15A   C15    C14     109.470    3.000
 LZP      C15    C14    O2      120.500    3.000
 LZP      C15    C14    C12     120.000    3.000
 LZP      O2     C14    C12     120.500    3.000
 LZP      C14    C12    C11     120.000    3.000
 LZP      C14    C12    C13     120.000    3.000
 LZP      C11    C12    C13     120.000    3.000
 LZP      C12    C11    H11     120.000    3.000
 LZP      C12    C11    C10     120.000    3.000
 LZP      H11    C11    C10     120.000    3.000
 LZP      C11    C10    H10     120.000    3.000
 LZP      C11    C10    C9      120.000    3.000
 LZP      H10    C10    C9      120.000    3.000
 LZP      C10    C9     H9      120.000    3.000
 LZP      C10    C9     C8      120.000    3.000
 LZP      H9     C9     C8      120.000    3.000
 LZP      C12    C13    H13     120.000    3.000
 LZP      C12    C13    C8      120.000    3.000
 LZP      H13    C13    C8      120.000    3.000
 LZP      C13    C8     O1      120.000    3.000
 LZP      C13    C8     C9      120.000    3.000
 LZP      O1     C8     C9      120.000    3.000
 LZP      C8     O1     C7      120.000    3.000
 LZP      O1     C7     H7      109.470    3.000
 LZP      O1     C7     H7A     109.470    3.000
 LZP      O1     C7     C5      109.470    3.000
 LZP      H7     C7     H7A     107.900    3.000
 LZP      H7     C7     C5      109.470    3.000
 LZP      H7A    C7     C5      109.470    3.000
 LZP      C7     C5     C6      120.000    3.000
 LZP      C7     C5     C4      120.000    3.000
 LZP      C6     C5     C4      120.000    3.000
 LZP      C5     C6     H6      120.000    3.000
 LZP      C5     C6     C1      120.000    3.000
 LZP      H6     C6     C1      120.000    3.000
 LZP      C6     C1     H1      120.000    3.000
 LZP      C6     C1     C2      120.000    3.000
 LZP      H1     C1     C2      120.000    3.000
 LZP      C5     C4     H4      120.000    3.000
 LZP      C5     C4     C3      120.000    3.000
 LZP      H4     C4     C3      120.000    3.000
 LZP      C4     C3     H3      120.000    3.000
 LZP      C4     C3     C2      120.000    3.000
 LZP      H3     C3     C2      120.000    3.000
 LZP      C3     C2     H2      120.000    3.000
 LZP      C3     C2     C1      120.000    3.000
 LZP      H2     C2     C1      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
 LZP      var_1    O7     C25    C27    C28      179.984   20.000   1
 LZP      CONST_1  C25    C27    C28    C29      180.000    0.000   0
 LZP      CONST_2  C27    C28    C29    C30        0.000    0.000   0
 LZP      CONST_3  C28    C29    C30    C31        0.000    0.000   0
 LZP      CONST_4  C29    C30    C31    C26        0.000    0.000   0
 LZP      var_2    C30    C31    O8     C32       -0.117   20.000   1
 LZP      var_3    C31    O8     C32    C34     -179.992   20.000   1
 LZP      var_4    O8     C32    C34    C35      -89.992   20.000   2
 LZP      CONST_5  C32    C34    C35    C36      180.000    0.000   0
 LZP      CONST_6  C34    C35    C36    C37        0.000    0.000   0
 LZP      CONST_7  C35    C36    C37    C38        0.000    0.000   0
 LZP      CONST_8  C36    C37    C38    C33        0.000    0.000   0
 LZP      CONST_9  C37    C38    C33    C34        0.000    0.000   0
 LZP      CONST_10 C38    C33    C34    C32      180.000    0.000   0
 LZP      CONST_11 C30    C31    C26    C27        0.000    0.000   0
 LZP      CONST_12 C31    C26    C27    C25      180.000    0.000   0
 LZP      var_5    O7     C25    C24    C23       -0.014   20.000   3
 LZP      var_6    C25    C24    C23    C22      179.973   20.000   3
 LZP      var_7    C24    C23    C22    N2       171.959   20.000   1
 LZP      CONST_13 C23    C22    N2     C20      180.000    0.000   0
 LZP      var_8    C22    N2     C19    C18     -120.000   20.000   1
 LZP      var_9    C22    N2     C20    C21      120.000   20.000   1
 LZP      var_10   N2     C20    C21    N1        60.000   20.000   3
 LZP      var_11   C20    C21    N1     C17      120.000   20.000   1
 LZP      var_12   C21    N1     C18    C19       60.000   20.000   1
 LZP      var_13   N1     C18    C19    N2       -60.000   20.000   3
 LZP      CONST_14 C21    N1     C17    C16      180.000    0.000   0
 LZP      var_14   N1     C17    C16    C15      172.008   20.000   1
 LZP      var_15   C17    C16    C15    C14      179.981   20.000   3
 LZP      var_16   C16    C15    C14    C12      179.977   20.000   3
 LZP      var_17   C15    C14    C12    C13      179.956   20.000   1
 LZP      CONST_15 C14    C12    C11    C10      180.000    0.000   0
 LZP      CONST_16 C12    C11    C10    C9         0.000    0.000   0
 LZP      CONST_17 C11    C10    C9     C8         0.000    0.000   0
 LZP      CONST_18 C14    C12    C13    C8       180.000    0.000   0
 LZP      CONST_19 C12    C13    C8     O1       180.000    0.000   0
 LZP      CONST_20 C13    C8     C9     C10        0.000    0.000   0
 LZP      var_18   C13    C8     O1     C7       179.703   20.000   1
 LZP      var_19   C8     O1     C7     C5       179.955   20.000   1
 LZP      var_20   O1     C7     C5     C4        89.974   20.000   2
 LZP      CONST_21 C7     C5     C6     C1       180.000    0.000   0
 LZP      CONST_22 C5     C6     C1     C2         0.000    0.000   0
 LZP      CONST_23 C6     C1     C2     C3         0.000    0.000   0
 LZP      CONST_24 C7     C5     C4     C3       180.000    0.000   0
 LZP      CONST_25 C5     C4     C3     C2         0.000    0.000   0
 LZP      CONST_26 C4     C3     C2     C1         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
 LZP      plan-1    C1        0.020
 LZP      plan-1    C2        0.020
 LZP      plan-1    C6        0.020
 LZP      plan-1    H1        0.020
 LZP      plan-1    C3        0.020
 LZP      plan-1    C4        0.020
 LZP      plan-1    C5        0.020
 LZP      plan-1    H2        0.020
 LZP      plan-1    H3        0.020
 LZP      plan-1    H4        0.020
 LZP      plan-1    C7        0.020
 LZP      plan-1    H6        0.020
 LZP      plan-2    C8        0.020
 LZP      plan-2    C9        0.020
 LZP      plan-2    C13       0.020
 LZP      plan-2    O1        0.020
 LZP      plan-2    C10       0.020
 LZP      plan-2    C11       0.020
 LZP      plan-2    C12       0.020
 LZP      plan-2    H9        0.020
 LZP      plan-2    H10       0.020
 LZP      plan-2    H11       0.020
 LZP      plan-2    C14       0.020
 LZP      plan-2    H13       0.020
 LZP      plan-3    C14       0.020
 LZP      plan-3    C12       0.020
 LZP      plan-3    C15       0.020
 LZP      plan-3    O2        0.020
 LZP      plan-4    C16       0.020
 LZP      plan-4    C15       0.020
 LZP      plan-4    C17       0.020
 LZP      plan-4    O3        0.020
 LZP      plan-5    C17       0.020
 LZP      plan-5    C16       0.020
 LZP      plan-5    N1        0.020
 LZP      plan-5    O4        0.020
 LZP      plan-6    N1        0.020
 LZP      plan-6    C17       0.020
 LZP      plan-6    C18       0.020
 LZP      plan-6    C21       0.020
 LZP      plan-7    N2        0.020
 LZP      plan-7    C19       0.020
 LZP      plan-7    C20       0.020
 LZP      plan-7    C22       0.020
 LZP      plan-8    C22       0.020
 LZP      plan-8    N2        0.020
 LZP      plan-8    C23       0.020
 LZP      plan-8    O5        0.020
 LZP      plan-9    C23       0.020
 LZP      plan-9    C22       0.020
 LZP      plan-9    C24       0.020
 LZP      plan-9    O6        0.020
 LZP      plan-10   C25       0.020
 LZP      plan-10   C24       0.020
 LZP      plan-10   C27       0.020
 LZP      plan-10   O7        0.020
 LZP      plan-11   C26       0.020
 LZP      plan-11   C27       0.020
 LZP      plan-11   C31       0.020
 LZP      plan-11   H26       0.020
 LZP      plan-11   C28       0.020
 LZP      plan-11   C29       0.020
 LZP      plan-11   C30       0.020
 LZP      plan-11   C25       0.020
 LZP      plan-11   H28       0.020
 LZP      plan-11   H29       0.020
 LZP      plan-11   H30       0.020
 LZP      plan-11   O8        0.020
 LZP      plan-12   C33       0.020
 LZP      plan-12   C34       0.020
 LZP      plan-12   C38       0.020
 LZP      plan-12   H33       0.020
 LZP      plan-12   C35       0.020
 LZP      plan-12   C36       0.020
 LZP      plan-12   C37       0.020
 LZP      plan-12   C32       0.020
 LZP      plan-12   H35       0.020
 LZP      plan-12   H36       0.020
 LZP      plan-12   H37       0.020
 LZP      plan-12   H38       0.020
# ------------------------------------------------------