#
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
GMY      GMY 'GELDANAMYCIN                        ' non-polymer        80  40 .
#
data_comp_GMY
#
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
 GMY           O40    O    O         0.000      0.114    0.050   -0.086
 GMY           C21    C    C         0.000      1.024    0.844    0.001
 GMY           N22    N    NH1       0.000      2.344    0.456    0.115
 GMY           HN2    H    H         0.000      3.058    1.167    0.180
 GMY           C3     C    CR6       0.000      2.704   -0.811    0.144
 GMY           C4     C    CR16      0.000      3.648   -1.163   -0.793
 GMY           H4     H    H         0.000      4.158   -0.418   -1.390
 GMY           C5     C    CR6       0.000      3.913   -2.498   -0.936
 GMY           O24    O    O         0.000      4.776   -2.848   -1.767
 GMY           C6     C    CR6       0.000      3.156   -3.514   -0.157
 GMY           O25    O    O2        0.000      3.476   -4.803   -0.345
 GMY           C26    C    CH3       0.000      3.209   -5.772   -1.340
 GMY           H263   H    H         0.000      2.164   -5.845   -1.486
 GMY           H262   H    H         0.000      3.675   -5.482   -2.245
 GMY           H261   H    H         0.000      3.591   -6.708   -1.028
 GMY           C2     C    CR6       0.000      1.911   -1.728    1.008
 GMY           O23    O    O         0.000      1.088   -1.237    1.801
 GMY           C20    C    C         0.000      0.611    2.285    0.091
 GMY           C39    C    CH3       0.000      1.603    3.368   -0.180
 GMY           H393   H    H         0.000      2.361    3.343    0.558
 GMY           H392   H    H         0.000      2.033    3.219   -1.136
 GMY           H391   H    H         0.000      1.114    4.306   -0.154
 GMY           C19    C    C1        0.000     -0.611    2.643    0.550
 GMY           H19    H    H         0.000     -1.265    1.888    0.954
 GMY           C18    C    C1        0.000     -1.052    4.002    0.509
 GMY           H18    H    H         0.000     -0.400    4.791    0.844
 GMY           C17    C    C1        0.000     -2.267    4.289    0.057
 GMY           H17    H    H         0.000     -2.491    5.334   -0.079
 GMY           C16    C    CH1       0.000     -3.354    3.330   -0.282
 GMY           H16    H    H         0.000     -2.920    2.534   -0.902
 GMY           O37    O    O2        0.000     -4.298    4.044   -1.084
 GMY           C38    C    CH3       0.000     -3.929    4.170   -2.466
 GMY           H38    H    H         0.000     -3.008    4.688   -2.543
 GMY           H382   H    H         0.000     -3.827    3.206   -2.896
 GMY           H381   H    H         0.000     -4.679    4.709   -2.987
 GMY           C15    C    CH1       0.000     -3.977    2.688    0.923
 GMY           H15    H    H         0.000     -3.286    2.711    1.777
 GMY           O33    O    O2        0.000     -5.150    3.439    1.204
 GMY           C34    C    C         0.000     -5.634    3.074    2.515
 GMY           N36    N    NH2       0.000     -6.472    3.871    3.164
 GMY           HN62   H    H         0.000     -6.773    4.736    2.740
 GMY           HN61   H    H         0.000     -6.807    3.610    4.079
 GMY           O35    O    O         0.000     -5.282    2.022    3.021
 GMY           C14    C    C         0.000     -4.333    1.266    0.563
 GMY           C32    C    CH3       0.000     -5.161    1.037   -0.673
 GMY           H323   H    H         0.000     -6.090    1.536   -0.576
 GMY           H322   H    H         0.000     -4.646    1.413   -1.519
 GMY           H321   H    H         0.000     -5.331   -0.002   -0.798
 GMY           C13    C    C1        0.000     -3.903    0.284    1.344
 GMY           H13    H    H         0.000     -3.291    0.520    2.198
 GMY           C12    C    CH1       0.000     -4.248   -1.146    1.063
 GMY           H12    H    H         0.000     -4.331   -1.265   -0.026
 GMY           C31    C    CH3       0.000     -5.632   -1.379    1.666
 GMY           H313   H    H         0.000     -5.928   -2.382    1.496
 GMY           H312   H    H         0.000     -5.600   -1.193    2.709
 GMY           H311   H    H         0.000     -6.330   -0.724    1.213
 GMY           C11    C    CH1       0.000     -3.210   -2.120    1.556
 GMY           H11    H    H         0.000     -2.553   -1.613    2.276
 GMY           O30    O    OH1       0.000     -3.894   -3.184    2.216
 GMY           HO0    H    H         0.000     -4.401   -2.827    2.958
 GMY           C10    C    CH1       0.000     -2.350   -2.906    0.559
 GMY           H10    H    H         0.000     -2.724   -3.931    0.433
 GMY           O28    O    O2        0.000     -2.387   -2.187   -0.673
 GMY           C29    C    CH3       0.000     -3.095   -2.807   -1.737
 GMY           H293   H    H         0.000     -2.602   -3.703   -2.012
 GMY           H292   H    H         0.000     -4.081   -3.029   -1.422
 GMY           H291   H    H         0.000     -3.128   -2.152   -2.567
 GMY           C9     C    CH2       0.000     -0.954   -2.897    1.175
 GMY           H9_1   H    H         0.000     -1.167   -3.060    2.234
 GMY           H9_2   H    H         0.000     -0.640   -1.863    1.023
 GMY           C8     C    CH1       0.000      0.135   -3.820    0.737
 GMY           H8     H    H         0.000     -0.347   -4.789    0.545
 GMY           C27    C    CH3       0.000      0.612   -3.301   -0.634
 GMY           H273   H    H         0.000     -0.212   -3.238   -1.299
 GMY           H272   H    H         0.000      1.046   -2.340   -0.521
 GMY           H271   H    H         0.000      1.335   -3.966   -1.035
 GMY           C7     C    CH2       0.000      1.316   -4.110    1.690
 GMY           H7_2   H    H         0.000      1.750   -5.112    1.672
 GMY           H7_1   H    H         0.000      1.232   -3.769    2.724
 GMY           C1     C    CR6       0.000      2.192   -3.172    0.923
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
 GMY      O40    n/a    C21    START
 GMY      C21    O40    C20    .
 GMY      N22    C21    C3     .
 GMY      HN2    N22    .      .
 GMY      C3     N22    C2     .
 GMY      C4     C3     C5     .
 GMY      H4     C4     .      .
 GMY      C5     C4     C6     .
 GMY      O24    C5     .      .
 GMY      C6     C5     O25    .
 GMY      O25    C6     C26    .
 GMY      C26    O25    H261   .
 GMY      H263   C26    .      .
 GMY      H262   C26    .      .
 GMY      H261   C26    .      .
 GMY      C2     C3     O23    .
 GMY      O23    C2     .      .
 GMY      C20    C21    C19    .
 GMY      C39    C20    H391   .
 GMY      H393   C39    .      .
 GMY      H392   C39    .      .
 GMY      H391   C39    .      .
 GMY      C19    C20    C18    .
 GMY      H19    C19    .      .
 GMY      C18    C19    C17    .
 GMY      H18    C18    .      .
 GMY      C17    C18    C16    .
 GMY      H17    C17    .      .
 GMY      C16    C17    C15    .
 GMY      H16    C16    .      .
 GMY      O37    C16    C38    .
 GMY      C38    O37    H381   .
 GMY      H38    C38    .      .
 GMY      H382   C38    .      .
 GMY      H381   C38    .      .
 GMY      C15    C16    C14    .
 GMY      H15    C15    .      .
 GMY      O33    C15    C34    .
 GMY      C34    O33    O35    .
 GMY      N36    C34    HN61   .
 GMY      HN62   N36    .      .
 GMY      HN61   N36    .      .
 GMY      O35    C34    .      .
 GMY      C14    C15    C13    .
 GMY      C32    C14    H321   .
 GMY      H323   C32    .      .
 GMY      H322   C32    .      .
 GMY      H321   C32    .      .
 GMY      C13    C14    C12    .
 GMY      H13    C13    .      .
 GMY      C12    C13    C11    .
 GMY      H12    C12    .      .
 GMY      C31    C12    H311   .
 GMY      H313   C31    .      .
 GMY      H312   C31    .      .
 GMY      H311   C31    .      .
 GMY      C11    C12    C10    .
 GMY      H11    C11    .      .
 GMY      O30    C11    HO0    .
 GMY      HO0    O30    .      .
 GMY      C10    C11    C9     .
 GMY      H10    C10    .      .
 GMY      O28    C10    C29    .
 GMY      C29    O28    H291   .
 GMY      H293   C29    .      .
 GMY      H292   C29    .      .
 GMY      H291   C29    .      .
 GMY      C9     C10    C8     .
 GMY      H9_1   C9     .      .
 GMY      H9_2   C9     .      .
 GMY      C8     C9     C7     .
 GMY      H8     C8     .      .
 GMY      C27    C8     H271   .
 GMY      H273   C27    .      .
 GMY      H272   C27    .      .
 GMY      H271   C27    .      .
 GMY      C7     C8     C1     .
 GMY      H7_2   C7     .      .
 GMY      H7_1   C7     .      .
 GMY      C1     C7     .      END
 GMY      C1     C2     .    ADD
 GMY      C1     C6     .    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
 GMY      C1     C2        single      1.487    0.020
 GMY      C1     C6        double      1.487    0.020
 GMY      C1     C7        single      1.511    0.020
 GMY      C2     C3        single      1.487    0.020
 GMY      O23    C2        double      1.250    0.020
 GMY      C4     C3        double      1.390    0.020
 GMY      C3     N22       single      1.350    0.020
 GMY      C5     C4        single      1.390    0.020
 GMY      H4     C4        single      1.083    0.020
 GMY      C6     C5        single      1.487    0.020
 GMY      O24    C5        double      1.250    0.020
 GMY      O25    C6        single      1.370    0.020
 GMY      C7     C8        single      1.524    0.020
 GMY      H7_1   C7        single      1.092    0.020
 GMY      H7_2   C7        single      1.092    0.020
 GMY      C8     C9        single      1.524    0.020
 GMY      C27    C8        single      1.524    0.020
 GMY      H8     C8        single      1.099    0.020
 GMY      C9     C10       single      1.524    0.020
 GMY      H9_1   C9        single      1.092    0.020
 GMY      H9_2   C9        single      1.092    0.020
 GMY      C10    C11       single      1.524    0.020
 GMY      O28    C10       single      1.426    0.020
 GMY      H10    C10       single      1.099    0.020
 GMY      C11    C12       single      1.524    0.020
 GMY      O30    C11       single      1.432    0.020
 GMY      H11    C11       single      1.099    0.020
 GMY      C12    C13       single      1.510    0.020
 GMY      C31    C12       single      1.524    0.020
 GMY      H12    C12       single      1.099    0.020
 GMY      C13    C14       double      1.340    0.020
 GMY      H13    C13       single      1.077    0.020
 GMY      C14    C15       single      1.500    0.020
 GMY      C32    C14       single      1.500    0.020
 GMY      C15    C16       single      1.524    0.020
 GMY      O33    C15       single      1.426    0.020
 GMY      H15    C15       single      1.099    0.020
 GMY      C16    C17       single      1.510    0.020
 GMY      O37    C16       single      1.426    0.020
 GMY      H16    C16       single      1.099    0.020
 GMY      C17    C18       double      1.330    0.020
 GMY      H17    C17       single      1.077    0.020
 GMY      C18    C19       single      1.460    0.020
 GMY      H18    C18       single      1.077    0.020
 GMY      C19    C20       double      1.340    0.020
 GMY      H19    C19       single      1.077    0.020
 GMY      C20    C21       single      1.460    0.020
 GMY      C39    C20       single      1.500    0.020
 GMY      N22    C21       single      1.330    0.020
 GMY      C21    O40       double      1.220    0.020
 GMY      HN2    N22       single      1.010    0.020
 GMY      C26    O25       single      1.426    0.020
 GMY      H261   C26       single      1.059    0.020
 GMY      H262   C26       single      1.059    0.020
 GMY      H263   C26       single      1.059    0.020
 GMY      H271   C27       single      1.059    0.020
 GMY      H272   C27       single      1.059    0.020
 GMY      H273   C27       single      1.059    0.020
 GMY      C29    O28       single      1.426    0.020
 GMY      H291   C29       single      1.059    0.020
 GMY      H292   C29       single      1.059    0.020
 GMY      H293   C29       single      1.059    0.020
 GMY      HO0    O30       single      0.967    0.020
 GMY      H311   C31       single      1.059    0.020
 GMY      H312   C31       single      1.059    0.020
 GMY      H313   C31       single      1.059    0.020
 GMY      H321   C32       single      1.059    0.020
 GMY      H322   C32       single      1.059    0.020
 GMY      H323   C32       single      1.059    0.020
 GMY      C34    O33       single      1.454    0.020
 GMY      O35    C34       double      1.220    0.020
 GMY      N36    C34       single      1.332    0.020
 GMY      HN61   N36       single      1.010    0.020
 GMY      HN62   N36       single      1.010    0.020
 GMY      C38    O37       single      1.426    0.020
 GMY      H381   C38       single      1.059    0.020
 GMY      H382   C38       single      1.059    0.020
 GMY      H38    C38       single      1.059    0.020
 GMY      H391   C39       single      1.059    0.020
 GMY      H392   C39       single      1.059    0.020
 GMY      H393   C39       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
 GMY      O40    C21    N22     123.000    3.000
 GMY      O40    C21    C20     120.500    3.000
 GMY      N22    C21    C20     120.000    3.000
 GMY      C21    N22    HN2     120.000    3.000
 GMY      C21    N22    C3      120.000    3.000
 GMY      HN2    N22    C3      120.000    3.000
 GMY      N22    C3     C4      120.000    3.000
 GMY      N22    C3     C2      120.000    3.000
 GMY      C4     C3     C2      120.000    3.000
 GMY      C3     C4     H4      120.000    3.000
 GMY      C3     C4     C5      120.000    3.000
 GMY      H4     C4     C5      120.000    3.000
 GMY      C4     C5     O24     120.000    3.000
 GMY      C4     C5     C6      120.000    3.000
 GMY      O24    C5     C6      120.000    3.000
 GMY      C5     C6     O25     120.000    3.000
 GMY      C5     C6     C1      120.000    3.000
 GMY      O25    C6     C1      120.000    3.000
 GMY      C6     O25    C26     120.000    3.000
 GMY      O25    C26    H263    109.470    3.000
 GMY      O25    C26    H262    109.470    3.000
 GMY      O25    C26    H261    109.470    3.000
 GMY      H263   C26    H262    109.470    3.000
 GMY      H263   C26    H261    109.470    3.000
 GMY      H262   C26    H261    109.470    3.000
 GMY      C3     C2     O23     120.000    3.000
 GMY      C3     C2     C1      120.000    3.000
 GMY      O23    C2     C1      120.000    3.000
 GMY      C21    C20    C39     120.000    3.000
 GMY      C21    C20    C19     120.000    3.000
 GMY      C39    C20    C19     120.000    3.000
 GMY      C20    C39    H393    109.470    3.000
 GMY      C20    C39    H392    109.470    3.000
 GMY      C20    C39    H391    109.470    3.000
 GMY      H393   C39    H392    109.470    3.000
 GMY      H393   C39    H391    109.470    3.000
 GMY      H392   C39    H391    109.470    3.000
 GMY      C20    C19    H19     120.000    3.000
 GMY      C20    C19    C18     120.000    3.000
 GMY      H19    C19    C18     120.000    3.000
 GMY      C19    C18    H18     120.000    3.000
 GMY      C19    C18    C17     120.000    3.000
 GMY      H18    C18    C17     120.000    3.000
 GMY      C18    C17    H17     120.000    3.000
 GMY      C18    C17    C16     120.000    3.000
 GMY      H17    C17    C16     120.000    3.000
 GMY      C17    C16    H16     108.810    3.000
 GMY      C17    C16    O37     109.500    3.000
 GMY      C17    C16    C15     109.470    3.000
 GMY      H16    C16    O37     109.470    3.000
 GMY      H16    C16    C15     108.340    3.000
 GMY      O37    C16    C15     109.470    3.000
 GMY      C16    O37    C38     111.800    3.000
 GMY      O37    C38    H38     109.470    3.000
 GMY      O37    C38    H382    109.470    3.000
 GMY      O37    C38    H381    109.470    3.000
 GMY      H38    C38    H382    109.470    3.000
 GMY      H38    C38    H381    109.470    3.000
 GMY      H382   C38    H381    109.470    3.000
 GMY      C16    C15    H15     108.340    3.000
 GMY      C16    C15    O33     109.470    3.000
 GMY      C16    C15    C14     109.470    3.000
 GMY      H15    C15    O33     109.470    3.000
 GMY      H15    C15    C14     108.810    3.000
 GMY      O33    C15    C14     109.470    3.000
 GMY      C15    O33    C34     111.800    3.000
 GMY      O33    C34    N36     120.000    3.000
 GMY      O33    C34    O35     119.000    3.000
 GMY      N36    C34    O35     123.000    3.000
 GMY      C34    N36    HN62    120.000    3.000
 GMY      C34    N36    HN61    120.000    3.000
 GMY      HN62   N36    HN61    120.000    3.000
 GMY      C15    C14    C32     120.000    3.000
 GMY      C15    C14    C13     120.000    3.000
 GMY      C32    C14    C13     120.000    3.000
 GMY      C14    C32    H323    109.470    3.000
 GMY      C14    C32    H322    109.470    3.000
 GMY      C14    C32    H321    109.470    3.000
 GMY      H323   C32    H322    109.470    3.000
 GMY      H323   C32    H321    109.470    3.000
 GMY      H322   C32    H321    109.470    3.000
 GMY      C14    C13    H13     120.000    3.000
 GMY      C14    C13    C12     120.500    3.000
 GMY      H13    C13    C12     120.000    3.000
 GMY      C13    C12    H12     108.810    3.000
 GMY      C13    C12    C31     109.470    3.000
 GMY      C13    C12    C11     109.470    3.000
 GMY      H12    C12    C31     108.340    3.000
 GMY      H12    C12    C11     108.340    3.000
 GMY      C31    C12    C11     111.000    3.000
 GMY      C12    C31    H313    109.470    3.000
 GMY      C12    C31    H312    109.470    3.000
 GMY      C12    C31    H311    109.470    3.000
 GMY      H313   C31    H312    109.470    3.000
 GMY      H313   C31    H311    109.470    3.000
 GMY      H312   C31    H311    109.470    3.000
 GMY      C12    C11    H11     108.340    3.000
 GMY      C12    C11    O30     109.470    3.000
 GMY      C12    C11    C10     111.000    3.000
 GMY      H11    C11    O30     109.470    3.000
 GMY      H11    C11    C10     108.340    3.000
 GMY      O30    C11    C10     109.470    3.000
 GMY      C11    O30    HO0     109.470    3.000
 GMY      C11    C10    H10     108.340    3.000
 GMY      C11    C10    O28     109.470    3.000
 GMY      C11    C10    C9      111.000    3.000
 GMY      H10    C10    O28     109.470    3.000
 GMY      H10    C10    C9      108.340    3.000
 GMY      O28    C10    C9      109.470    3.000
 GMY      C10    O28    C29     111.800    3.000
 GMY      O28    C29    H293    109.470    3.000
 GMY      O28    C29    H292    109.470    3.000
 GMY      O28    C29    H291    109.470    3.000
 GMY      H293   C29    H292    109.470    3.000
 GMY      H293   C29    H291    109.470    3.000
 GMY      H292   C29    H291    109.470    3.000
 GMY      C10    C9     H9_1    109.470    3.000
 GMY      C10    C9     H9_2    109.470    3.000
 GMY      C10    C9     C8      111.000    3.000
 GMY      H9_1   C9     H9_2    107.900    3.000
 GMY      H9_1   C9     C8      109.470    3.000
 GMY      H9_2   C9     C8      109.470    3.000
 GMY      C9     C8     H8      108.340    3.000
 GMY      C9     C8     C27     111.000    3.000
 GMY      C9     C8     C7      109.470    3.000
 GMY      H8     C8     C27     108.340    3.000
 GMY      H8     C8     C7      108.340    3.000
 GMY      C27    C8     C7      111.000    3.000
 GMY      C8     C27    H273    109.470    3.000
 GMY      C8     C27    H272    109.470    3.000
 GMY      C8     C27    H271    109.470    3.000
 GMY      H273   C27    H272    109.470    3.000
 GMY      H273   C27    H271    109.470    3.000
 GMY      H272   C27    H271    109.470    3.000
 GMY      C8     C7     H7_2    109.470    3.000
 GMY      C8     C7     H7_1    109.470    3.000
 GMY      C8     C7     C1      109.470    3.000
 GMY      H7_2   C7     H7_1    107.900    3.000
 GMY      H7_2   C7     C1      109.470    3.000
 GMY      H7_1   C7     C1      109.470    3.000
 GMY      C7     C1     C2      120.000    3.000
 GMY      C7     C1     C6      120.000    3.000
 GMY      C2     C1     C6      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
 GMY      CONST_1  O40    C21    N22    C3         0.000    0.000   0
 GMY      var_1    C21    N22    C3     C2       -40.602   20.000   1
 GMY      CONST_2  N22    C3     C4     C5       180.000    0.000   0
 GMY      CONST_3  C3     C4     C5     C6         0.000    0.000   0
 GMY      CONST_4  C4     C5     C6     O25      180.000    0.000   0
 GMY      var_2    C5     C6     O25    C26      -66.154   20.000   1
 GMY      var_3    C6     O25    C26    H261    -174.418   20.000   1
 GMY      CONST_5  N22    C3     C2     O23        0.000    0.000   0
 GMY      var_4    O40    C21    C20    C19       -0.063   20.000   1
 GMY      var_5    C21    C20    C39    H391     175.000   20.000   1
 GMY      CONST_6  C21    C20    C19    C18      179.719    0.000   0
 GMY      var_6    C20    C19    C18    C17     -178.469   20.000   1
 GMY      CONST_7  C19    C18    C17    C16       -0.040    0.000   0
 GMY      var_7    C18    C17    C16    C15      114.875   20.000   1
 GMY      var_8    C17    C16    O37    C38       89.996   20.000   1
 GMY      var_9    C16    O37    C38    H381     180.000   20.000   1
 GMY      var_10   C17    C16    C15    C14     -155.054   20.000   3
 GMY      var_11   C16    C15    O33    C34     -150.000   20.000   1
 GMY      var_12   C15    O33    C34    O35        0.000   20.000   1
 GMY      CONST_8  O33    C34    N36    HN61     180.000    0.000   0
 GMY      var_13   C16    C15    C14    C13      110.771   20.000   3
 GMY      var_14   C15    C14    C32    H321     180.000   20.000   1
 GMY      CONST_9  C15    C14    C13    C12      179.019    0.000   0
 GMY      var_15   C14    C13    C12    C11      151.160   20.000   1
 GMY      var_16   C13    C12    C31    H311      59.997   20.000   3
 GMY      var_17   C13    C12    C11    C10     -106.510   20.000   3
 GMY      var_18   C12    C11    O30    HO0      -59.998   20.000   1
 GMY      var_19   C12    C11    C10    C9       125.237   20.000   3
 GMY      var_20   C11    C10    O28    C29     -113.224   20.000   1
 GMY      var_21   C10    O28    C29    H291     175.100   20.000   1
 GMY      var_22   C11    C10    C9     C8       155.862   20.000   3
 GMY      var_23   C10    C9     C8     C7      -149.190   20.000   3
 GMY      var_24   C9     C8     C27    H271    -175.355   20.000   3
 GMY      var_25   C9     C8     C7     C1       -91.202   20.000   3
 GMY      var_26   C8     C7     C1     C2        70.717   20.000   2
 GMY      CONST_10 C7     C1     C2     C3       180.000    0.000   0
 GMY      CONST_11 C7     C1     C6     C5       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
 GMY      chir_01  C8     C7     C9     C27       negativ
 GMY      chir_02  C10    C9     C11    O28       negativ
 GMY      chir_03  C11    C10    C12    O30       negativ
 GMY      chir_04  C12    C11    C13    C31       positiv
 GMY      chir_05  C15    C14    C16    O33       negativ
 GMY      chir_06  C16    C15    C17    O37       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
 GMY      plan-1    C1        0.020
 GMY      plan-1    C2        0.020
 GMY      plan-1    C6        0.020
 GMY      plan-1    C7        0.020
 GMY      plan-1    C3        0.020
 GMY      plan-1    C4        0.020
 GMY      plan-1    C5        0.020
 GMY      plan-1    O23       0.020
 GMY      plan-1    N22       0.020
 GMY      plan-1    H4        0.020
 GMY      plan-1    O24       0.020
 GMY      plan-1    O25       0.020
 GMY      plan-1    HN2       0.020
 GMY      plan-2    C13       0.020
 GMY      plan-2    C12       0.020
 GMY      plan-2    C14       0.020
 GMY      plan-2    H13       0.020
 GMY      plan-2    C15       0.020
 GMY      plan-2    C32       0.020
 GMY      plan-3    C17       0.020
 GMY      plan-3    C16       0.020
 GMY      plan-3    C18       0.020
 GMY      plan-3    H17       0.020
 GMY      plan-3    C19       0.020
 GMY      plan-3    H18       0.020
 GMY      plan-3    H19       0.020
 GMY      plan-4    C19       0.020
 GMY      plan-4    C18       0.020
 GMY      plan-4    C20       0.020
 GMY      plan-4    H19       0.020
 GMY      plan-4    C21       0.020
 GMY      plan-4    C39       0.020
 GMY      plan-4    H18       0.020
 GMY      plan-5    C21       0.020
 GMY      plan-5    C20       0.020
 GMY      plan-5    N22       0.020
 GMY      plan-5    O40       0.020
 GMY      plan-5    HN2       0.020
 GMY      plan-6    N22       0.020
 GMY      plan-6    C3        0.020
 GMY      plan-6    C21       0.020
 GMY      plan-6    HN2       0.020
 GMY      plan-7    C34       0.020
 GMY      plan-7    O33       0.020
 GMY      plan-7    O35       0.020
 GMY      plan-7    N36       0.020
 GMY      plan-7    HN62      0.020
 GMY      plan-7    HN61      0.020
 GMY      plan-8    N36       0.020
 GMY      plan-8    C34       0.020
 GMY      plan-8    HN61      0.020
 GMY      plan-8    HN62      0.020
