File: AM9.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
AM9      AM9 '"6-(2,6-dimethylphenyl)-2-{[4-(4-met' non-polymer        70  40 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AM9
#
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
 AM9           O1     O    O         0.000      0.000    0.000    0.000
 AM9           C12    C    CR6       0.000     -1.023   -0.646    0.127
 AM9           N5     N    NR6       0.000     -0.976   -1.938    0.514
 AM9           C19    C    CR6       0.000      0.265   -2.534    0.770
 AM9           C24    C    CR6       0.000      0.811   -2.482    2.047
 AM9           C25    C    CH3       0.000      0.069   -1.785    3.158
 AM9           H25B   H    H         0.000      0.763   -1.389    3.852
 AM9           H25A   H    H         0.000     -0.514   -0.999    2.754
 AM9           H25    H    H         0.000     -0.564   -2.478    3.648
 AM9           C23    C    CR16      0.000      2.032   -3.077    2.297
 AM9           H23    H    H         0.000      2.453   -3.047    3.295
 AM9           C22    C    CR16      0.000      2.717   -3.711    1.277
 AM9           H22    H    H         0.000      3.678   -4.171    1.475
 AM9           C21    C    CR16      0.000      2.179   -3.759    0.004
 AM9           H21    H    H         0.000      2.717   -4.258   -0.793
 AM9           C20    C    CR6       0.000      0.955   -3.172   -0.252
 AM9           C26    C    CH3       0.000      0.369   -3.225   -1.639
 AM9           H26B   H    H         0.000      0.694   -4.107   -2.126
 AM9           H26A   H    H         0.000     -0.688   -3.225   -1.576
 AM9           H26    H    H         0.000      0.689   -2.379   -2.190
 AM9           C11    C    CR56      0.000     -2.131   -2.685    0.663
 AM9           N6     N    NRD5      0.000     -2.274   -3.941    1.028
 AM9           C14    C    CR56      0.000     -3.591   -4.272    1.043
 AM9           C18    C    CR16      0.000     -4.282   -5.448    1.349
 AM9           H18    H    H         0.000     -3.738   -6.336    1.647
 AM9           C17    C    CR16      0.000     -5.656   -5.473    1.270
 AM9           H17    H    H         0.000     -6.191   -6.384    1.507
 AM9           C16    C    CR16      0.000     -6.360   -4.341    0.888
 AM9           H16    H    H         0.000     -7.441   -4.373    0.829
 AM9           C15    C    CR16      0.000     -5.692   -3.173    0.582
 AM9           H15    H    H         0.000     -6.248   -2.292    0.284
 AM9           C13    C    CR56      0.000     -4.309   -3.130    0.657
 AM9           N4     N    NR56      0.000     -3.364   -2.142    0.423
 AM9           C2     C    CR66      0.000     -3.491   -0.825    0.023
 AM9           N1     N    NRD6      0.000     -4.671   -0.276   -0.215
 AM9           C3     C    CR66      0.000     -2.332   -0.038   -0.137
 AM9           C4     C    CR16      0.000     -2.468    1.289   -0.541
 AM9           H4     H    H         0.000     -1.598    1.921   -0.674
 AM9           N2     N    NRD6      0.000     -3.686    1.760   -0.757
 AM9           C1     C    CR6       0.000     -4.756    0.992   -0.597
 AM9           N3     N    NH1       0.000     -6.004    1.530   -0.843
 AM9           HN3    H    H         0.000     -6.823    0.940   -0.813
 AM9           C5     C    CR6       0.000     -6.132    2.895   -1.134
 AM9           C10    C    CR16      0.000     -5.281    3.815   -0.537
 AM9           H10    H    H         0.000     -4.521    3.479    0.157
 AM9           C9     C    CR16      0.000     -5.404    5.160   -0.828
 AM9           H9     H    H         0.000     -4.734    5.877   -0.370
 AM9           C8     C    CR6       0.000     -6.386    5.591   -1.710
 AM9           C7     C    CR16      0.000     -7.241    4.672   -2.302
 AM9           H7     H    H         0.000     -8.007    5.010   -2.990
 AM9           C6     C    CR16      0.000     -7.115    3.327   -2.015
 AM9           H6     H    H         0.000     -7.783    2.610   -2.476
 AM9           N7     N    NT        0.000     -6.514    6.954   -2.001
 AM9           C30    C    CH2       0.000     -5.514    7.745   -1.271
 AM9           H30    H    H         0.000     -4.513    7.381   -1.512
 AM9           H30A   H    H         0.000     -5.686    7.647   -0.197
 AM9           C29    C    CH2       0.000     -5.636    9.216   -1.677
 AM9           H29    H    H         0.000     -5.435    9.317   -2.745
 AM9           H29A   H    H         0.000     -4.912    9.810   -1.114
 AM9           N8     N    NT        0.000     -6.995    9.692   -1.385
 AM9           C31    C    CH3       0.000     -7.129   11.123   -1.691
 AM9           H31B   H    H         0.000     -6.399   11.669   -1.153
 AM9           H31A   H    H         0.000     -6.990   11.276   -2.730
 AM9           H31    H    H         0.000     -8.095   11.454   -1.412
 AM9           C28    C    CH2       0.000     -7.994    8.901   -2.116
 AM9           H28    H    H         0.000     -7.822    8.999   -3.190
 AM9           H28A   H    H         0.000     -8.995    9.265   -1.874
 AM9           C27    C    CH2       0.000     -7.873    7.430   -1.710
 AM9           H27A   H    H         0.000     -8.596    6.836   -2.272
 AM9           H27    H    H         0.000     -8.074    7.329   -0.641
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
 AM9      O1     n/a    C12    START
 AM9      C12    O1     C3     .
 AM9      N5     C12    C11    .
 AM9      C19    N5     C24    .
 AM9      C24    C19    C23    .
 AM9      C25    C24    H25    .
 AM9      H25B   C25    .      .
 AM9      H25A   C25    .      .
 AM9      H25    C25    .      .
 AM9      C23    C24    C22    .
 AM9      H23    C23    .      .
 AM9      C22    C23    C21    .
 AM9      H22    C22    .      .
 AM9      C21    C22    C20    .
 AM9      H21    C21    .      .
 AM9      C20    C21    C26    .
 AM9      C26    C20    H26    .
 AM9      H26B   C26    .      .
 AM9      H26A   C26    .      .
 AM9      H26    C26    .      .
 AM9      C11    N5     N6     .
 AM9      N6     C11    C14    .
 AM9      C14    N6     C18    .
 AM9      C18    C14    C17    .
 AM9      H18    C18    .      .
 AM9      C17    C18    C16    .
 AM9      H17    C17    .      .
 AM9      C16    C17    C15    .
 AM9      H16    C16    .      .
 AM9      C15    C16    C13    .
 AM9      H15    C15    .      .
 AM9      C13    C15    N4     .
 AM9      N4     C13    C2     .
 AM9      C2     N4     N1     .
 AM9      N1     C2     .      .
 AM9      C3     C12    C4     .
 AM9      C4     C3     N2     .
 AM9      H4     C4     .      .
 AM9      N2     C4     C1     .
 AM9      C1     N2     N3     .
 AM9      N3     C1     C5     .
 AM9      HN3    N3     .      .
 AM9      C5     N3     C10    .
 AM9      C10    C5     C9     .
 AM9      H10    C10    .      .
 AM9      C9     C10    C8     .
 AM9      H9     C9     .      .
 AM9      C8     C9     N7     .
 AM9      C7     C8     C6     .
 AM9      H7     C7     .      .
 AM9      C6     C7     H6     .
 AM9      H6     C6     .      .
 AM9      N7     C8     C30    .
 AM9      C30    N7     C29    .
 AM9      H30    C30    .      .
 AM9      H30A   C30    .      .
 AM9      C29    C30    N8     .
 AM9      H29    C29    .      .
 AM9      H29A   C29    .      .
 AM9      N8     C29    C28    .
 AM9      C31    N8     H31    .
 AM9      H31B   C31    .      .
 AM9      H31A   C31    .      .
 AM9      H31    C31    .      .
 AM9      C28    N8     C27    .
 AM9      H28    C28    .      .
 AM9      H28A   C28    .      .
 AM9      C27    C28    H27    .
 AM9      H27A   C27    .      .
 AM9      H27    C27    .      END
 AM9      C1     N1     .    ADD
 AM9      C2     C3     .    ADD
 AM9      C5     C6     .    ADD
 AM9      N4     C11    .    ADD
 AM9      C13    C14    .    ADD
 AM9      C19    C20    .    ADD
 AM9      N7     C27    .    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
 AM9      C1     N2        double      1.350    0.020
 AM9      N3     C1        single      1.350    0.020
 AM9      C1     N1        single      1.350    0.020
 AM9      N1     C2        double      1.350    0.020
 AM9      C2     C3        single      1.490    0.020
 AM9      C2     N4        single      1.395    0.020
 AM9      C4     C3        double      1.390    0.020
 AM9      C3     C12       single      1.490    0.020
 AM9      N2     C4        single      1.337    0.020
 AM9      H4     C4        single      1.083    0.020
 AM9      C5     N3        single      1.350    0.020
 AM9      HN3    N3        single      1.010    0.020
 AM9      C10    C5        double      1.390    0.020
 AM9      C5     C6        single      1.390    0.020
 AM9      C6     C7        double      1.390    0.020
 AM9      H6     C6        single      1.083    0.020
 AM9      C7     C8        single      1.390    0.020
 AM9      H7     C7        single      1.083    0.020
 AM9      C8     C9        double      1.390    0.020
 AM9      N7     C8        single      1.405    0.020
 AM9      C9     C10       single      1.390    0.020
 AM9      H9     C9        single      1.083    0.020
 AM9      H10    C10       single      1.083    0.020
 AM9      N4     C11       single      1.337    0.020
 AM9      N4     C13       single      1.337    0.020
 AM9      C11    N5        single      1.337    0.020
 AM9      N6     C11       double      1.350    0.020
 AM9      N5     C12       single      1.410    0.020
 AM9      C19    N5        single      1.410    0.020
 AM9      C12    O1        double      1.250    0.020
 AM9      C13    C15       single      1.390    0.020
 AM9      C13    C14       double      1.490    0.020
 AM9      C14    N6        single      1.350    0.020
 AM9      C18    C14       single      1.390    0.020
 AM9      C15    C16       double      1.390    0.020
 AM9      H15    C15       single      1.083    0.020
 AM9      C16    C17       single      1.390    0.020
 AM9      H16    C16       single      1.083    0.020
 AM9      C17    C18       double      1.390    0.020
 AM9      H17    C17       single      1.083    0.020
 AM9      H18    C18       single      1.083    0.020
 AM9      C24    C19       double      1.487    0.020
 AM9      C19    C20       single      1.487    0.020
 AM9      C26    C20       single      1.506    0.020
 AM9      C20    C21       double      1.390    0.020
 AM9      C21    C22       single      1.390    0.020
 AM9      H21    C21       single      1.083    0.020
 AM9      C22    C23       double      1.390    0.020
 AM9      H22    C22       single      1.083    0.020
 AM9      C23    C24       single      1.390    0.020
 AM9      H23    C23       single      1.083    0.020
 AM9      C25    C24       single      1.506    0.020
 AM9      H25    C25       single      1.059    0.020
 AM9      H25A   C25       single      1.059    0.020
 AM9      H25B   C25       single      1.059    0.020
 AM9      H26    C26       single      1.059    0.020
 AM9      H26A   C26       single      1.059    0.020
 AM9      H26B   C26       single      1.059    0.020
 AM9      N7     C27       single      1.469    0.020
 AM9      C30    N7        single      1.469    0.020
 AM9      C27    C28       single      1.524    0.020
 AM9      H27    C27       single      1.092    0.020
 AM9      H27A   C27       single      1.092    0.020
 AM9      C28    N8        single      1.469    0.020
 AM9      H28    C28       single      1.092    0.020
 AM9      H28A   C28       single      1.092    0.020
 AM9      C31    N8        single      1.469    0.020
 AM9      N8     C29       single      1.469    0.020
 AM9      C29    C30       single      1.524    0.020
 AM9      H29    C29       single      1.092    0.020
 AM9      H29A   C29       single      1.092    0.020
 AM9      H30    C30       single      1.092    0.020
 AM9      H30A   C30       single      1.092    0.020
 AM9      H31    C31       single      1.059    0.020
 AM9      H31A   C31       single      1.059    0.020
 AM9      H31B   C31       single      1.059    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
 AM9      O1     C12    N5      120.000    3.000
 AM9      O1     C12    C3      120.000    3.000
 AM9      N5     C12    C3      120.000    3.000
 AM9      C12    N5     C19     120.000    3.000
 AM9      C12    N5     C11     120.000    3.000
 AM9      C19    N5     C11     120.000    3.000
 AM9      N5     C19    C24     120.000    3.000
 AM9      N5     C19    C20     120.000    3.000
 AM9      C24    C19    C20     120.000    3.000
 AM9      C19    C24    C25     120.000    3.000
 AM9      C19    C24    C23     120.000    3.000
 AM9      C25    C24    C23     120.000    3.000
 AM9      C24    C25    H25B    109.470    3.000
 AM9      C24    C25    H25A    109.470    3.000
 AM9      C24    C25    H25     109.470    3.000
 AM9      H25B   C25    H25A    109.470    3.000
 AM9      H25B   C25    H25     109.470    3.000
 AM9      H25A   C25    H25     109.470    3.000
 AM9      C24    C23    H23     120.000    3.000
 AM9      C24    C23    C22     120.000    3.000
 AM9      H23    C23    C22     120.000    3.000
 AM9      C23    C22    H22     120.000    3.000
 AM9      C23    C22    C21     120.000    3.000
 AM9      H22    C22    C21     120.000    3.000
 AM9      C22    C21    H21     120.000    3.000
 AM9      C22    C21    C20     120.000    3.000
 AM9      H21    C21    C20     120.000    3.000
 AM9      C21    C20    C26     120.000    3.000
 AM9      C21    C20    C19     120.000    3.000
 AM9      C26    C20    C19     120.000    3.000
 AM9      C20    C26    H26B    109.470    3.000
 AM9      C20    C26    H26A    109.470    3.000
 AM9      C20    C26    H26     109.470    3.000
 AM9      H26B   C26    H26A    109.470    3.000
 AM9      H26B   C26    H26     109.470    3.000
 AM9      H26A   C26    H26     109.470    3.000
 AM9      N5     C11    N6      120.000    3.000
 AM9      N5     C11    N4      120.000    3.000
 AM9      N6     C11    N4      108.000    3.000
 AM9      C11    N6     C14     108.000    3.000
 AM9      N6     C14    C18     132.000    3.000
 AM9      N6     C14    C13     108.000    3.000
 AM9      C18    C14    C13     120.000    3.000
 AM9      C14    C18    H18     120.000    3.000
 AM9      C14    C18    C17     120.000    3.000
 AM9      H18    C18    C17     120.000    3.000
 AM9      C18    C17    H17     120.000    3.000
 AM9      C18    C17    C16     120.000    3.000
 AM9      H17    C17    C16     120.000    3.000
 AM9      C17    C16    H16     120.000    3.000
 AM9      C17    C16    C15     120.000    3.000
 AM9      H16    C16    C15     120.000    3.000
 AM9      C16    C15    H15     120.000    3.000
 AM9      C16    C15    C13     120.000    3.000
 AM9      H15    C15    C13     120.000    3.000
 AM9      C15    C13    N4      120.000    3.000
 AM9      C15    C13    C14     120.000    3.000
 AM9      N4     C13    C14     120.000    3.000
 AM9      C13    N4     C2      120.000    3.000
 AM9      C13    N4     C11     108.000    3.000
 AM9      C2     N4     C11     120.000    3.000
 AM9      N4     C2     N1      120.000    3.000
 AM9      N4     C2     C3      120.000    3.000
 AM9      N1     C2     C3      120.000    3.000
 AM9      C2     N1     C1      120.000    3.000
 AM9      C12    C3     C4      120.000    3.000
 AM9      C12    C3     C2      120.000    3.000
 AM9      C4     C3     C2      120.000    3.000
 AM9      C3     C4     H4      120.000    3.000
 AM9      C3     C4     N2      120.000    3.000
 AM9      H4     C4     N2      120.000    3.000
 AM9      C4     N2     C1      120.000    3.000
 AM9      N2     C1     N3      120.000    3.000
 AM9      N2     C1     N1      120.000    3.000
 AM9      N3     C1     N1      120.000    3.000
 AM9      C1     N3     HN3     120.000    3.000
 AM9      C1     N3     C5      120.000    3.000
 AM9      HN3    N3     C5      120.000    3.000
 AM9      N3     C5     C10     120.000    3.000
 AM9      N3     C5     C6      120.000    3.000
 AM9      C10    C5     C6      120.000    3.000
 AM9      C5     C10    H10     120.000    3.000
 AM9      C5     C10    C9      120.000    3.000
 AM9      H10    C10    C9      120.000    3.000
 AM9      C10    C9     H9      120.000    3.000
 AM9      C10    C9     C8      120.000    3.000
 AM9      H9     C9     C8      120.000    3.000
 AM9      C9     C8     C7      120.000    3.000
 AM9      C9     C8     N7      120.000    3.000
 AM9      C7     C8     N7      120.000    3.000
 AM9      C8     C7     H7      120.000    3.000
 AM9      C8     C7     C6      120.000    3.000
 AM9      H7     C7     C6      120.000    3.000
 AM9      C7     C6     H6      120.000    3.000
 AM9      C7     C6     C5      120.000    3.000
 AM9      H6     C6     C5      120.000    3.000
 AM9      C8     N7     C30     109.500    3.000
 AM9      C8     N7     C27     109.500    3.000
 AM9      C30    N7     C27     109.470    3.000
 AM9      N7     C30    H30     109.470    3.000
 AM9      N7     C30    H30A    109.470    3.000
 AM9      N7     C30    C29     109.470    3.000
 AM9      H30    C30    H30A    107.900    3.000
 AM9      H30    C30    C29     109.470    3.000
 AM9      H30A   C30    C29     109.470    3.000
 AM9      C30    C29    H29     109.470    3.000
 AM9      C30    C29    H29A    109.470    3.000
 AM9      C30    C29    N8      109.470    3.000
 AM9      H29    C29    H29A    107.900    3.000
 AM9      H29    C29    N8      109.470    3.000
 AM9      H29A   C29    N8      109.470    3.000
 AM9      C29    N8     C31     109.470    3.000
 AM9      C29    N8     C28     109.470    3.000
 AM9      C31    N8     C28     109.470    3.000
 AM9      N8     C31    H31B    109.470    3.000
 AM9      N8     C31    H31A    109.470    3.000
 AM9      N8     C31    H31     109.470    3.000
 AM9      H31B   C31    H31A    109.470    3.000
 AM9      H31B   C31    H31     109.470    3.000
 AM9      H31A   C31    H31     109.470    3.000
 AM9      N8     C28    H28     109.470    3.000
 AM9      N8     C28    H28A    109.470    3.000
 AM9      N8     C28    C27     109.470    3.000
 AM9      H28    C28    H28A    107.900    3.000
 AM9      H28    C28    C27     109.470    3.000
 AM9      H28A   C28    C27     109.470    3.000
 AM9      C28    C27    H27A    109.470    3.000
 AM9      C28    C27    H27     109.470    3.000
 AM9      C28    C27    N7      109.470    3.000
 AM9      H27A   C27    H27     107.900    3.000
 AM9      H27A   C27    N7      109.470    3.000
 AM9      H27    C27    N7      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
 AM9      CONST_1  O1     C12    N5     C11      180.000    0.000   0
 AM9      CONST_2  C12    N5     C19    C24        0.000    0.000   0
 AM9      CONST_3  N5     C19    C20    C21      180.000    0.000   0
 AM9      CONST_4  N5     C19    C24    C23      180.000    0.000   0
 AM9      var_1    C19    C24    C25    H25       89.972   20.000   1
 AM9      CONST_5  C19    C24    C23    C22        0.000    0.000   0
 AM9      CONST_6  C24    C23    C22    C21        0.000    0.000   0
 AM9      CONST_7  C23    C22    C21    C20        0.000    0.000   0
 AM9      CONST_8  C22    C21    C20    C26      180.000    0.000   0
 AM9      var_2    C21    C20    C26    H26      -90.097   20.000   1
 AM9      CONST_9  C12    N5     C11    N6       180.000    0.000   0
 AM9      CONST_10 N5     C11    N6     C14      180.000    0.000   0
 AM9      CONST_11 C11    N6     C14    C18      180.000    0.000   0
 AM9      CONST_12 N6     C14    C18    C17      180.000    0.000   0
 AM9      CONST_13 C14    C18    C17    C16        0.000    0.000   0
 AM9      CONST_14 C18    C17    C16    C15        0.000    0.000   0
 AM9      CONST_15 C17    C16    C15    C13        0.000    0.000   0
 AM9      CONST_16 C16    C15    C13    N4       180.000    0.000   0
 AM9      CONST_17 C15    C13    C14    N6       180.000    0.000   0
 AM9      CONST_18 C15    C13    N4     C2         0.000    0.000   0
 AM9      CONST_19 C13    N4     C11    N5       180.000    0.000   0
 AM9      CONST_20 C13    N4     C2     N1         0.000    0.000   0
 AM9      CONST_21 N4     C2     C3     C12        0.000    0.000   0
 AM9      CONST_22 N4     C2     N1     C1       180.000    0.000   0
 AM9      CONST_23 O1     C12    C3     C4         0.000    0.000   0
 AM9      CONST_24 C12    C3     C4     N2       180.000    0.000   0
 AM9      CONST_25 C3     C4     N2     C1         0.000    0.000   0
 AM9      CONST_26 C4     N2     C1     N3       180.000    0.000   0
 AM9      CONST_27 N2     C1     N1     C2         0.000    0.000   0
 AM9      var_3    N2     C1     N3     C5        -5.871   20.000   1
 AM9      var_4    C1     N3     C5     C10      -34.029   20.000   1
 AM9      CONST_28 N3     C5     C6     C7       180.000    0.000   0
 AM9      CONST_29 N3     C5     C10    C9       180.000    0.000   0
 AM9      CONST_30 C5     C10    C9     C8         0.000    0.000   0
 AM9      CONST_31 C10    C9     C8     N7       180.000    0.000   0
 AM9      CONST_32 C9     C8     C7     C6         0.000    0.000   0
 AM9      CONST_33 C8     C7     C6     C5         0.000    0.000   0
 AM9      var_5    C9     C8     N7     C30       -0.034   20.000   1
 AM9      var_6    C8     N7     C27    C28      180.000   20.000   1
 AM9      var_7    C8     N7     C30    C29      180.000   20.000   1
 AM9      var_8    N7     C30    C29    N8        60.000   20.000   3
 AM9      var_9    C30    C29    N8     C28      -60.000   20.000   1
 AM9      var_10   C29    N8     C31    H31     -176.209   20.000   1
 AM9      var_11   C29    N8     C28    C27       60.000   20.000   1
 AM9      var_12   N8     C28    C27    N7       -60.000   20.000   3
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
 AM9      chir_01  N7     C8     C27    C30       negativ
 AM9      chir_02  N8     C28    C29    C31       negativ
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
 AM9      plan-1    C1        0.020
 AM9      plan-1    N1        0.020
 AM9      plan-1    N2        0.020
 AM9      plan-1    N3        0.020
 AM9      plan-1    C4        0.020
 AM9      plan-1    C2        0.020
 AM9      plan-1    C3        0.020
 AM9      plan-1    N4        0.020
 AM9      plan-1    N5        0.020
 AM9      plan-1    C12       0.020
 AM9      plan-1    H4        0.020
 AM9      plan-1    C11       0.020
 AM9      plan-1    C13       0.020
 AM9      plan-1    N6        0.020
 AM9      plan-1    C19       0.020
 AM9      plan-1    O1        0.020
 AM9      plan-1    C14       0.020
 AM9      plan-1    C15       0.020
 AM9      plan-1    C16       0.020
 AM9      plan-1    C17       0.020
 AM9      plan-1    C18       0.020
 AM9      plan-1    H15       0.020
 AM9      plan-1    H16       0.020
 AM9      plan-1    H17       0.020
 AM9      plan-1    H18       0.020
 AM9      plan-1    HN3       0.020
 AM9      plan-2    N3        0.020
 AM9      plan-2    C1        0.020
 AM9      plan-2    C5        0.020
 AM9      plan-2    HN3       0.020
 AM9      plan-3    C5        0.020
 AM9      plan-3    N3        0.020
 AM9      plan-3    C6        0.020
 AM9      plan-3    C10       0.020
 AM9      plan-3    C7        0.020
 AM9      plan-3    C8        0.020
 AM9      plan-3    C9        0.020
 AM9      plan-3    H6        0.020
 AM9      plan-3    H7        0.020
 AM9      plan-3    N7        0.020
 AM9      plan-3    H9        0.020
 AM9      plan-3    H10       0.020
 AM9      plan-3    HN3       0.020
 AM9      plan-4    C19       0.020
 AM9      plan-4    N5        0.020
 AM9      plan-4    C20       0.020
 AM9      plan-4    C24       0.020
 AM9      plan-4    C21       0.020
 AM9      plan-4    C22       0.020
 AM9      plan-4    C23       0.020
 AM9      plan-4    C26       0.020
 AM9      plan-4    H21       0.020
 AM9      plan-4    H22       0.020
 AM9      plan-4    H23       0.020
 AM9      plan-4    C25       0.020
# ------------------------------------------------------