File: UIZ.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
UIZ      UIZ '(1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]D' non-polymer        70  38 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_UIZ
#
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
 UIZ           O21    O    O         0.000      0.000    0.000    0.000
 UIZ           C20    C    C         0.000     -0.912   -0.781    0.228
 UIZ           N19    N    N         0.000     -1.057   -1.620    1.339
 UIZ           C23    C    CH2       0.000     -0.066   -1.761    2.388
 UIZ           H231   H    H         0.000     -0.588   -1.985    3.321
 UIZ           H232   H    H         0.000      0.462   -0.810    2.487
 UIZ           C24    C    CR6       0.000      0.918   -2.854    2.089
 UIZ           C25    C    CR16      0.000      0.653   -4.151    2.520
 UIZ           H25    H    H         0.000     -0.251   -4.389    3.068
 UIZ           C26    C    CR6       0.000      1.586   -5.122    2.221
 UIZ           O27    O    O2        0.000      1.505   -6.438    2.555
 UIZ           C28    C    CH2       0.000      2.734   -6.942    1.993
 UIZ           H282   H    H         0.000      2.471   -7.720    1.273
 UIZ           H281   H    H         0.000      3.312   -7.383    2.808
 UIZ           O29    O    O2        0.000      3.522   -5.926    1.338
 UIZ           C30    C    CR6       0.000      2.738   -4.829    1.525
 UIZ           C31    C    CR16      0.000      3.018   -3.550    1.091
 UIZ           H31    H    H         0.000      3.927   -3.330    0.545
 UIZ           C32    C    CR16      0.000      2.088   -2.549    1.380
 UIZ           H32    H    H         0.000      2.271   -1.532    1.055
 UIZ           C17    C    CH1       0.000     -2.220   -2.487    1.233
 UIZ           H17    H    H         0.000     -1.898   -3.429    0.768
 UIZ           C1     C    CH2       0.000     -2.902   -2.826    2.550
 UIZ           H11A   H    H         0.000     -3.249   -1.896    3.006
 UIZ           H12    H    H         0.000     -2.167   -3.299    3.205
 UIZ           C2     C    CR6       0.000     -4.071   -3.755    2.351
 UIZ           C27    C    CR16      0.000     -4.054   -4.658    1.297
 UIZ           H27    H    H         0.000     -3.207   -4.695    0.624
 UIZ           C21    C    CR16      0.000     -5.137   -5.517    1.112
 UIZ           H21    H    H         0.000     -5.133   -6.225    0.293
 UIZ           C19    C    CR16      0.000     -6.225   -5.465    1.983
 UIZ           H19    H    H         0.000     -7.066   -6.132    1.840
 UIZ           C18    C    CR16      0.000     -6.231   -4.553    3.039
 UIZ           H18    H    H         0.000     -7.076   -4.513    3.716
 UIZ           C11    C    CR16      0.000     -5.148   -3.693    3.223
 UIZ           H11    H    H         0.000     -5.147   -2.983    4.041
 UIZ           C16    C    CH1       0.000     -3.100   -1.744    0.228
 UIZ           H16    H    H         0.000     -3.747   -2.440   -0.323
 UIZ           C22    C    CH1       0.000     -2.085   -1.073   -0.706
 UIZ           H22    H    H         0.000     -1.780   -1.765   -1.503
 UIZ           C15    C    CH1       0.000     -3.900   -0.554    0.771
 UIZ           H15    H    H         0.000     -3.494   -0.263    1.749
 UIZ           N11    N    NT        0.000     -3.722    0.563   -0.180
 UIZ           C12    C    CH2       0.000     -5.049    1.034   -0.596
 UIZ           H121   H    H         0.000     -5.373    0.576   -1.533
 UIZ           H122   H    H         0.000     -5.088    2.121   -0.691
 UIZ           C13    C    CH2       0.000     -5.966    0.589    0.531
 UIZ           H131   H    H         0.000     -7.005    0.480    0.213
 UIZ           H132   H    H         0.000     -5.920    1.249    1.400
 UIZ           C14    C    CH2       0.000     -5.401   -0.771    0.897
 UIZ           H142   H    H         0.000     -5.716   -1.558    0.208
 UIZ           H141   H    H         0.000     -5.643   -1.067    1.920
 UIZ           C10    C    CH1       0.000     -2.867    0.105   -1.290
 UIZ           H10    H    H         0.000     -3.532   -0.299   -2.066
 UIZ           C7     C    CR6       0.000     -2.014    1.171   -1.943
 UIZ           C6     C    CR16      0.000     -1.646    1.049   -3.285
 UIZ           H6     H    H         0.000     -1.972    0.190   -3.859
 UIZ           C5     C    CR16      0.000     -0.859    2.031   -3.887
 UIZ           H5     H    H         0.000     -0.575    1.935   -4.927
 UIZ           C8     C    CR16      0.000     -1.592    2.279   -1.206
 UIZ           H8     H    H         0.000     -1.876    2.376   -0.165
 UIZ           C9     C    CR16      0.000     -0.805    3.261   -1.807
 UIZ           H9     H    H         0.000     -0.480    4.121   -1.234
 UIZ           C4     C    CR6       0.000     -0.438    3.137   -3.148
 UIZ           C3     C    C         0.000      0.382    4.161   -3.775
 UIZ           N2     N    NH2       0.000      0.801    4.130   -5.101
 UIZ           HN22   H    H         0.000      0.543    3.359   -5.718
 UIZ           HN21   H    H         0.000      1.378    4.879   -5.489
 UIZ           N1     N    N         0.000      0.756    5.187   -3.040
 UIZ           HN1    H    H         0.000      1.300    5.892   -3.409
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
 UIZ      O21    n/a    C20    START
 UIZ      C20    O21    N19    .
 UIZ      N19    C20    C17    .
 UIZ      C23    N19    C24    .
 UIZ      H231   C23    .      .
 UIZ      H232   C23    .      .
 UIZ      C24    C23    C25    .
 UIZ      C25    C24    C26    .
 UIZ      H25    C25    .      .
 UIZ      C26    C25    C30    .
 UIZ      O27    C26    C28    .
 UIZ      C28    O27    O29    .
 UIZ      H282   C28    .      .
 UIZ      H281   C28    .      .
 UIZ      O29    C28    .      .
 UIZ      C30    C26    C31    .
 UIZ      C31    C30    C32    .
 UIZ      H31    C31    .      .
 UIZ      C32    C31    H32    .
 UIZ      H32    C32    .      .
 UIZ      C17    N19    C16    .
 UIZ      H17    C17    .      .
 UIZ      C1     C17    C2     .
 UIZ      H11A   C1     .      .
 UIZ      H12    C1     .      .
 UIZ      C2     C1     C27    .
 UIZ      C27    C2     C21    .
 UIZ      H27    C27    .      .
 UIZ      C21    C27    C19    .
 UIZ      H21    C21    .      .
 UIZ      C19    C21    C18    .
 UIZ      H19    C19    .      .
 UIZ      C18    C19    C11    .
 UIZ      H18    C18    .      .
 UIZ      C11    C18    H11    .
 UIZ      H11    C11    .      .
 UIZ      C16    C17    C15    .
 UIZ      H16    C16    .      .
 UIZ      C22    C16    H22    .
 UIZ      H22    C22    .      .
 UIZ      C15    C16    N11    .
 UIZ      H15    C15    .      .
 UIZ      N11    C15    C10    .
 UIZ      C12    N11    C13    .
 UIZ      H121   C12    .      .
 UIZ      H122   C12    .      .
 UIZ      C13    C12    C14    .
 UIZ      H131   C13    .      .
 UIZ      H132   C13    .      .
 UIZ      C14    C13    H141   .
 UIZ      H142   C14    .      .
 UIZ      H141   C14    .      .
 UIZ      C10    N11    C7     .
 UIZ      H10    C10    .      .
 UIZ      C7     C10    C8     .
 UIZ      C6     C7     C5     .
 UIZ      H6     C6     .      .
 UIZ      C5     C6     H5     .
 UIZ      H5     C5     .      .
 UIZ      C8     C7     C9     .
 UIZ      H8     C8     .      .
 UIZ      C9     C8     C4     .
 UIZ      H9     C9     .      .
 UIZ      C4     C9     C3     .
 UIZ      C3     C4     N1     .
 UIZ      N2     C3     HN21   .
 UIZ      HN22   N2     .      .
 UIZ      HN21   N2     .      .
 UIZ      N1     C3     HN1    .
 UIZ      HN1    N1     .      END
 UIZ      C4     C5     .    ADD
 UIZ      C10    C22    .    ADD
 UIZ      C22    C20    .    ADD
 UIZ      C24    C32    .    ADD
 UIZ      C30    O29    .    ADD
 UIZ      C15    C14    .    ADD
 UIZ      C2     C11    .    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
 UIZ      N1     C3        double      1.260    0.020
 UIZ      HN1    N1        single      0.954    0.020
 UIZ      N2     C3        single      1.332    0.020
 UIZ      C3     C4        single      1.500    0.020
 UIZ      HN21   N2        single      1.010    0.020
 UIZ      HN22   N2        single      1.010    0.020
 UIZ      C4     C5        double      1.390    0.020
 UIZ      C4     C9        single      1.390    0.020
 UIZ      C5     C6        single      1.390    0.020
 UIZ      H5     C5        single      1.083    0.020
 UIZ      C6     C7        double      1.390    0.020
 UIZ      H6     C6        single      1.083    0.020
 UIZ      C7     C10       single      1.480    0.020
 UIZ      C8     C7        single      1.390    0.020
 UIZ      C10    C22       single      1.524    0.020
 UIZ      C10    N11       single      1.469    0.020
 UIZ      H10    C10       single      1.099    0.020
 UIZ      C22    C20       single      1.500    0.020
 UIZ      C22    C16       single      1.524    0.020
 UIZ      H22    C22       single      1.099    0.020
 UIZ      C20    O21       double      1.220    0.020
 UIZ      N19    C20       single      1.330    0.020
 UIZ      C23    N19       single      1.455    0.020
 UIZ      C17    N19       single      1.455    0.020
 UIZ      C24    C23       single      1.511    0.020
 UIZ      H231   C23       single      1.092    0.020
 UIZ      H232   C23       single      1.092    0.020
 UIZ      C24    C32       double      1.390    0.020
 UIZ      C25    C24       single      1.390    0.020
 UIZ      C32    C31       single      1.390    0.020
 UIZ      H32    C32       single      1.083    0.020
 UIZ      C31    C30       double      1.390    0.020
 UIZ      H31    C31       single      1.083    0.020
 UIZ      C30    O29       single      1.370    0.020
 UIZ      C30    C26       single      1.487    0.020
 UIZ      O29    C28       single      1.426    0.020
 UIZ      C28    O27       single      1.426    0.020
 UIZ      H281   C28       single      1.092    0.020
 UIZ      H282   C28       single      1.092    0.020
 UIZ      O27    C26       single      1.370    0.020
 UIZ      C26    C25       double      1.390    0.020
 UIZ      H25    C25       single      1.083    0.020
 UIZ      C16    C17       single      1.524    0.020
 UIZ      C1     C17       single      1.524    0.020
 UIZ      H17    C17       single      1.099    0.020
 UIZ      C15    C16       single      1.524    0.020
 UIZ      H16    C16       single      1.099    0.020
 UIZ      C15    C14       single      1.524    0.020
 UIZ      N11    C15       single      1.469    0.020
 UIZ      H15    C15       single      1.099    0.020
 UIZ      C14    C13       single      1.524    0.020
 UIZ      H141   C14       single      1.092    0.020
 UIZ      H142   C14       single      1.092    0.020
 UIZ      C13    C12       single      1.524    0.020
 UIZ      H131   C13       single      1.092    0.020
 UIZ      H132   C13       single      1.092    0.020
 UIZ      C12    N11       single      1.469    0.020
 UIZ      H121   C12       single      1.092    0.020
 UIZ      H122   C12       single      1.092    0.020
 UIZ      C9     C8        double      1.390    0.020
 UIZ      H8     C8        single      1.083    0.020
 UIZ      H9     C9        single      1.083    0.020
 UIZ      C2     C1        single      1.511    0.020
 UIZ      H11A   C1        single      1.092    0.020
 UIZ      H12    C1        single      1.092    0.020
 UIZ      C2     C11       double      1.390    0.020
 UIZ      C27    C2        single      1.390    0.020
 UIZ      C11    C18       single      1.390    0.020
 UIZ      H11    C11       single      1.083    0.020
 UIZ      C18    C19       double      1.390    0.020
 UIZ      H18    C18       single      1.083    0.020
 UIZ      C19    C21       single      1.390    0.020
 UIZ      H19    C19       single      1.083    0.020
 UIZ      C21    C27       double      1.390    0.020
 UIZ      H21    C21       single      1.083    0.020
 UIZ      H27    C27       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
 UIZ      O21    C20    N19     123.000    3.000
 UIZ      O21    C20    C22     120.500    3.000
 UIZ      N19    C20    C22     116.500    3.000
 UIZ      C20    N19    C23     127.000    3.000
 UIZ      C20    N19    C17     121.000    3.000
 UIZ      C23    N19    C17     112.000    3.000
 UIZ      N19    C23    H231    109.470    3.000
 UIZ      N19    C23    H232    109.470    3.000
 UIZ      N19    C23    C24     109.470    3.000
 UIZ      H231   C23    H232    107.900    3.000
 UIZ      H231   C23    C24     109.470    3.000
 UIZ      H232   C23    C24     109.470    3.000
 UIZ      C23    C24    C25     120.000    3.000
 UIZ      C23    C24    C32     120.000    3.000
 UIZ      C25    C24    C32     120.000    3.000
 UIZ      C24    C25    H25     120.000    3.000
 UIZ      C24    C25    C26     120.000    3.000
 UIZ      H25    C25    C26     120.000    3.000
 UIZ      C25    C26    O27     120.000    3.000
 UIZ      C25    C26    C30     120.000    3.000
 UIZ      O27    C26    C30     120.000    3.000
 UIZ      C26    O27    C28     120.000    3.000
 UIZ      O27    C28    H282    109.470    3.000
 UIZ      O27    C28    H281    109.470    3.000
 UIZ      O27    C28    O29     109.500    3.000
 UIZ      H282   C28    H281    107.900    3.000
 UIZ      H282   C28    O29     109.470    3.000
 UIZ      H281   C28    O29     109.470    3.000
 UIZ      C28    O29    C30     120.000    3.000
 UIZ      C26    C30    C31     120.000    3.000
 UIZ      C26    C30    O29     120.000    3.000
 UIZ      C31    C30    O29     120.000    3.000
 UIZ      C30    C31    H31     120.000    3.000
 UIZ      C30    C31    C32     120.000    3.000
 UIZ      H31    C31    C32     120.000    3.000
 UIZ      C31    C32    H32     120.000    3.000
 UIZ      C31    C32    C24     120.000    3.000
 UIZ      H32    C32    C24     120.000    3.000
 UIZ      N19    C17    H17     109.470    3.000
 UIZ      N19    C17    C1      105.000    3.000
 UIZ      N19    C17    C16     105.000    3.000
 UIZ      H17    C17    C1      108.340    3.000
 UIZ      H17    C17    C16     108.340    3.000
 UIZ      C1     C17    C16     111.000    3.000
 UIZ      C17    C1     H11A    109.470    3.000
 UIZ      C17    C1     H12     109.470    3.000
 UIZ      C17    C1     C2      109.470    3.000
 UIZ      H11A   C1     H12     107.900    3.000
 UIZ      H11A   C1     C2      109.470    3.000
 UIZ      H12    C1     C2      109.470    3.000
 UIZ      C1     C2     C27     120.000    3.000
 UIZ      C1     C2     C11     120.000    3.000
 UIZ      C27    C2     C11     120.000    3.000
 UIZ      C2     C27    H27     120.000    3.000
 UIZ      C2     C27    C21     120.000    3.000
 UIZ      H27    C27    C21     120.000    3.000
 UIZ      C27    C21    H21     120.000    3.000
 UIZ      C27    C21    C19     120.000    3.000
 UIZ      H21    C21    C19     120.000    3.000
 UIZ      C21    C19    H19     120.000    3.000
 UIZ      C21    C19    C18     120.000    3.000
 UIZ      H19    C19    C18     120.000    3.000
 UIZ      C19    C18    H18     120.000    3.000
 UIZ      C19    C18    C11     120.000    3.000
 UIZ      H18    C18    C11     120.000    3.000
 UIZ      C18    C11    H11     120.000    3.000
 UIZ      C18    C11    C2      120.000    3.000
 UIZ      H11    C11    C2      120.000    3.000
 UIZ      C17    C16    H16     108.340    3.000
 UIZ      C17    C16    C22     111.000    3.000
 UIZ      C17    C16    C15     111.000    3.000
 UIZ      H16    C16    C22     108.340    3.000
 UIZ      H16    C16    C15     108.340    3.000
 UIZ      C22    C16    C15     111.000    3.000
 UIZ      C16    C22    H22     108.340    3.000
 UIZ      C16    C22    C10     111.000    3.000
 UIZ      C16    C22    C20     109.470    3.000
 UIZ      C10    C22    C20     109.470    3.000
 UIZ      H22    C22    C10     108.340    3.000
 UIZ      H22    C22    C20     108.810    3.000
 UIZ      C16    C15    H15     108.340    3.000
 UIZ      C16    C15    N11     109.500    3.000
 UIZ      C16    C15    C14     111.000    3.000
 UIZ      H15    C15    N11     109.500    3.000
 UIZ      H15    C15    C14     108.340    3.000
 UIZ      N11    C15    C14     109.500    3.000
 UIZ      C15    N11    C12     109.470    3.000
 UIZ      C15    N11    C10     109.500    3.000
 UIZ      C12    N11    C10     109.470    3.000
 UIZ      N11    C12    H121    109.470    3.000
 UIZ      N11    C12    H122    109.470    3.000
 UIZ      N11    C12    C13     109.470    3.000
 UIZ      H121   C12    H122    107.900    3.000
 UIZ      H121   C12    C13     109.470    3.000
 UIZ      H122   C12    C13     109.470    3.000
 UIZ      C12    C13    H131    109.470    3.000
 UIZ      C12    C13    H132    109.470    3.000
 UIZ      C12    C13    C14     111.000    3.000
 UIZ      H131   C13    H132    107.900    3.000
 UIZ      H131   C13    C14     109.470    3.000
 UIZ      H132   C13    C14     109.470    3.000
 UIZ      C13    C14    H142    109.470    3.000
 UIZ      C13    C14    H141    109.470    3.000
 UIZ      C13    C14    C15     111.000    3.000
 UIZ      H142   C14    H141    107.900    3.000
 UIZ      H142   C14    C15     109.470    3.000
 UIZ      H141   C14    C15     109.470    3.000
 UIZ      N11    C10    H10     109.500    3.000
 UIZ      N11    C10    C7      109.500    3.000
 UIZ      N11    C10    C22     109.500    3.000
 UIZ      H10    C10    C7      109.470    3.000
 UIZ      H10    C10    C22     108.340    3.000
 UIZ      C7     C10    C22     109.470    3.000
 UIZ      C10    C7     C6      120.000    3.000
 UIZ      C10    C7     C8      120.000    3.000
 UIZ      C6     C7     C8      120.000    3.000
 UIZ      C7     C6     H6      120.000    3.000
 UIZ      C7     C6     C5      120.000    3.000
 UIZ      H6     C6     C5      120.000    3.000
 UIZ      C6     C5     H5      120.000    3.000
 UIZ      C6     C5     C4      120.000    3.000
 UIZ      H5     C5     C4      120.000    3.000
 UIZ      C7     C8     H8      120.000    3.000
 UIZ      C7     C8     C9      120.000    3.000
 UIZ      H8     C8     C9      120.000    3.000
 UIZ      C8     C9     H9      120.000    3.000
 UIZ      C8     C9     C4      120.000    3.000
 UIZ      H9     C9     C4      120.000    3.000
 UIZ      C9     C4     C3      120.000    3.000
 UIZ      C9     C4     C5      120.000    3.000
 UIZ      C3     C4     C5      120.000    3.000
 UIZ      C4     C3     N2      120.000    3.000
 UIZ      C4     C3     N1      120.000    3.000
 UIZ      N2     C3     N1      120.000    3.000
 UIZ      C3     N2     HN22    120.000    3.000
 UIZ      C3     N2     HN21    120.000    3.000
 UIZ      HN22   N2     HN21    120.000    3.000
 UIZ      C3     N1     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
 UIZ      CONST_1  O21    C20    N19    C17      180.000    0.000   0
 UIZ      var_1    C20    N19    C23    C24      -90.025   20.000   1
 UIZ      var_2    N19    C23    C24    C25      -90.006   20.000   2
 UIZ      CONST_2  C23    C24    C32    C31      180.000    0.000   0
 UIZ      CONST_3  C23    C24    C25    C26      180.000    0.000   0
 UIZ      CONST_4  C24    C25    C26    C30        0.000    0.000   0
 UIZ      var_3    C25    C26    O27    C28      180.000   20.000   1
 UIZ      var_4    C26    O27    C28    O29        0.000   20.000   1
 UIZ      var_5    O27    C28    O29    C30        0.000   20.000   1
 UIZ      CONST_5  C25    C26    C30    C31        0.000    0.000   0
 UIZ      var_6    C26    C30    O29    C28        0.000   20.000   1
 UIZ      CONST_6  C26    C30    C31    C32        0.000    0.000   0
 UIZ      CONST_7  C30    C31    C32    C24        0.000    0.000   0
 UIZ      var_7    C20    N19    C17    C16      -30.000   20.000   3
 UIZ      var_8    N19    C17    C1     C2      -178.470   20.000   3
 UIZ      var_9    C17    C1     C2     C27       29.985   20.000   2
 UIZ      CONST_8  C1     C2     C11    C18      180.000    0.000   0
 UIZ      CONST_9  C1     C2     C27    C21      180.000    0.000   0
 UIZ      CONST_10 C2     C27    C21    C19        0.000    0.000   0
 UIZ      CONST_11 C27    C21    C19    C18        0.000    0.000   0
 UIZ      CONST_12 C21    C19    C18    C11        0.000    0.000   0
 UIZ      CONST_13 C19    C18    C11    C2         0.000    0.000   0
 UIZ      var_10   N19    C17    C16    C15      -90.000   20.000   3
 UIZ      var_11   C17    C16    C22    C10     -150.000   20.000   3
 UIZ      var_12   C16    C22    C20    O21     -150.000   20.000   3
 UIZ      var_13   C17    C16    C15    N11      120.000   20.000   3
 UIZ      var_14   C16    C15    C14    C13     -150.000   20.000   3
 UIZ      var_15   C16    C15    N11    C10        0.000   20.000   1
 UIZ      var_16   C15    N11    C12    C13       30.000   20.000   1
 UIZ      var_17   N11    C12    C13    C14      -30.000   20.000   3
 UIZ      var_18   C12    C13    C14    C15       30.000   20.000   3
 UIZ      var_19   C15    N11    C10    C7      -150.000   20.000   1
 UIZ      var_20   N11    C10    C22    C16       30.000   20.000   3
 UIZ      var_21   N11    C10    C7     C8        28.370   20.000   1
 UIZ      CONST_14 C10    C7     C6     C5       180.000    0.000   0
 UIZ      CONST_15 C7     C6     C5     C4         0.000    0.000   0
 UIZ      CONST_16 C10    C7     C8     C9       180.000    0.000   0
 UIZ      CONST_17 C7     C8     C9     C4         0.000    0.000   0
 UIZ      CONST_18 C8     C9     C4     C3       180.000    0.000   0
 UIZ      CONST_19 C9     C4     C5     C6         0.000    0.000   0
 UIZ      var_22   C9     C4     C3     N1         0.018   20.000   1
 UIZ      CONST_20 C4     C3     N2     HN21     180.000    0.000   0
 UIZ      CONST_21 C4     C3     N1     HN1      180.000    0.000   0
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
 UIZ      chir_01  C10    C7     C22    N11       negativ
 UIZ      chir_02  C22    C10    C20    C16       negativ
 UIZ      chir_03  C17    N19    C16    C1        positiv
 UIZ      chir_04  C16    C22    C17    C15       negativ
 UIZ      chir_05  C15    C16    C14    N11       positiv
 UIZ      chir_06  N11    C10    C15    C12       positiv
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
 UIZ      plan-1    N1        0.020
 UIZ      plan-1    C3        0.020
 UIZ      plan-1    HN1       0.020
 UIZ      plan-1    N2        0.020
 UIZ      plan-1    C4        0.020
 UIZ      plan-1    HN22      0.020
 UIZ      plan-1    HN21      0.020
 UIZ      plan-2    N2        0.020
 UIZ      plan-2    C3        0.020
 UIZ      plan-2    HN21      0.020
 UIZ      plan-2    HN22      0.020
 UIZ      plan-3    C4        0.020
 UIZ      plan-3    C3        0.020
 UIZ      plan-3    C5        0.020
 UIZ      plan-3    C9        0.020
 UIZ      plan-3    C6        0.020
 UIZ      plan-3    C7        0.020
 UIZ      plan-3    C8        0.020
 UIZ      plan-3    H5        0.020
 UIZ      plan-3    H6        0.020
 UIZ      plan-3    C10       0.020
 UIZ      plan-3    H8        0.020
 UIZ      plan-3    H9        0.020
 UIZ      plan-4    C20       0.020
 UIZ      plan-4    C22       0.020
 UIZ      plan-4    O21       0.020
 UIZ      plan-4    N19       0.020
 UIZ      plan-5    N19       0.020
 UIZ      plan-5    C20       0.020
 UIZ      plan-5    C23       0.020
 UIZ      plan-5    C17       0.020
 UIZ      plan-6    C24       0.020
 UIZ      plan-6    C23       0.020
 UIZ      plan-6    C32       0.020
 UIZ      plan-6    C25       0.020
 UIZ      plan-6    C31       0.020
 UIZ      plan-6    C30       0.020
 UIZ      plan-6    C26       0.020
 UIZ      plan-6    H32       0.020
 UIZ      plan-6    H31       0.020
 UIZ      plan-6    O29       0.020
 UIZ      plan-6    O27       0.020
 UIZ      plan-6    H25       0.020
 UIZ      plan-7    C2        0.020
 UIZ      plan-7    C1        0.020
 UIZ      plan-7    C11       0.020
 UIZ      plan-7    C27       0.020
 UIZ      plan-7    C18       0.020
 UIZ      plan-7    C19       0.020
 UIZ      plan-7    C21       0.020
 UIZ      plan-7    H11       0.020
 UIZ      plan-7    H18       0.020
 UIZ      plan-7    H19       0.020
 UIZ      plan-7    H21       0.020
 UIZ      plan-7    H27       0.020
# ------------------------------------------------------