File: VG7.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
VG7      VG7 'N-[(1S,2R)-1-benzyl-3-(cyclohexylami' non-polymer        76  36 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VG7
#
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
 VG7           O58    O    O         0.000      0.000    0.000    0.000
 VG7           C48    C    C         0.000      0.498    0.559   -0.970
 VG7           C49    C    CH2       0.000      1.985    0.884   -1.067
 VG7           H491   H    H         0.000      2.615    0.022   -0.839
 VG7           H492   H    H         0.000      2.270    1.722   -0.427
 VG7           C50    C    CH2       0.000      2.168    1.278   -2.538
 VG7           H501   H    H         0.000      2.587    0.452   -3.118
 VG7           H502   H    H         0.000      2.815    2.153   -2.634
 VG7           C51    C    CH2       0.000      0.783    1.612   -3.059
 VG7           H511   H    H         0.000      0.615    1.200   -4.056
 VG7           H512   H    H         0.000      0.605    2.689   -3.077
 VG7           N47    N    N         0.000     -0.140    0.976   -2.102
 VG7           C5     C    CR6       0.000     -1.498    0.833   -2.359
 VG7           C6     C    CR16      0.000     -2.168   -0.448   -2.163
 VG7           H6     H    H         0.000     -1.594   -1.295   -1.807
 VG7           C1     C    CR6       0.000     -3.557   -0.611   -2.429
 VG7           N38    N    NH1       0.000     -4.122   -1.865   -2.221
 VG7           H38    H    H         0.000     -3.548   -2.552   -1.753
 VG7           C39    C    CH2       0.000     -5.473   -2.288   -2.618
 VG7           H391   H    H         0.000     -5.430   -3.320   -2.973
 VG7           H392   H    H         0.000     -5.823   -1.641   -3.425
 VG7           C41    C    CH3       0.000     -6.438   -2.194   -1.429
 VG7           H413   H    H         0.000     -7.034   -1.321   -1.521
 VG7           H412   H    H         0.000     -7.068   -3.046   -1.412
 VG7           H411   H    H         0.000     -5.887   -2.147   -0.524
 VG7           C4     C    CR16      0.000     -2.268    1.960   -2.836
 VG7           H4     H    H         0.000     -1.787    2.919   -2.987
 VG7           C3     C    CR6       0.000     -3.664    1.810   -3.108
 VG7           C2     C    CR16      0.000     -4.296    0.528   -2.904
 VG7           H2     H    H         0.000     -5.353    0.422   -3.115
 VG7           C7     C    C         0.000     -4.460    2.915   -3.601
 VG7           O9     O    O         0.000     -4.079    3.679   -4.497
 VG7           N8     N    NH1       0.000     -5.691    3.026   -3.028
 VG7           H8     H    H         0.000     -5.932    2.379   -2.291
 VG7           C10    C    CH1       0.000     -6.697    4.039   -3.424
 VG7           H10    H    H         0.000     -6.415    4.439   -4.408
 VG7           C11    C    CH2       0.000     -8.063    3.278   -3.573
 VG7           H111   H    H         0.000     -8.744    3.922   -4.132
 VG7           H112   H    H         0.000     -8.462    3.110   -2.571
 VG7           C14    C    CR6       0.000     -7.915    1.938   -4.298
 VG7           C21    C    CR16      0.000     -7.270    1.840   -5.590
 VG7           H21    H    H         0.000     -6.885    2.733   -6.066
 VG7           C20    C    CR16      0.000     -7.135    0.568   -6.250
 VG7           H20    H    H         0.000     -6.650    0.512   -7.216
 VG7           C19    C    CR16      0.000     -7.640   -0.627   -5.633
 VG7           H19    H    H         0.000     -7.535   -1.583   -6.132
 VG7           C18    C    CR16      0.000     -8.284   -0.547   -4.352
 VG7           H18    H    H         0.000     -8.669   -1.444   -3.884
 VG7           C17    C    CR16      0.000     -8.420    0.727   -3.688
 VG7           H17    H    H         0.000     -8.905    0.777   -2.721
 VG7           C12    C    CH1       0.000     -6.766    5.220   -2.420
 VG7           H12    H    H         0.000     -6.990    4.844   -1.412
 VG7           O13    O    OH1       0.000     -7.760    6.140   -2.826
 VG7           H13    H    H         0.000     -7.515    7.025   -2.528
 VG7           C15    C    CH2       0.000     -5.476    6.010   -2.403
 VG7           H151   H    H         0.000     -5.299    6.374   -3.417
 VG7           H152   H    H         0.000     -4.674    5.325   -2.119
 VG7           N16    N    NH1       0.000     -5.505    7.146   -1.470
 VG7           H16    H    H         0.000     -6.151    7.231   -0.698
 VG7           C59    C    CH1       0.000     -4.465    8.156   -1.804
 VG7           H59    H    H         0.000     -4.465    8.311   -2.892
 VG7           C65    C    CH2       0.000     -4.751    9.519   -1.108
 VG7           H651   H    H         0.000     -4.787    9.363   -0.028
 VG7           H652   H    H         0.000     -5.716    9.895   -1.453
 VG7           C64    C    CH2       0.000     -3.621   10.568   -1.453
 VG7           H641   H    H         0.000     -3.182   10.893   -0.507
 VG7           H642   H    H         0.000     -4.105   11.417   -1.940
 VG7           C63    C    CH2       0.000     -2.482    9.996   -2.396
 VG7           H631   H    H         0.000     -1.681   10.728   -2.513
 VG7           H632   H    H         0.000     -2.891    9.744   -3.377
 VG7           C62    C    CH2       0.000     -1.908    8.686   -1.708
 VG7           H621   H    H         0.000     -1.403    8.982   -0.786
 VG7           H622   H    H         0.000     -1.184    8.236   -2.390
 VG7           C61    C    CH2       0.000     -3.051    7.630   -1.373
 VG7           H612   H    H         0.000     -3.042    7.443   -0.297
 VG7           H611   H    H         0.000     -2.829    6.702   -1.905
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
 VG7      O58    n/a    C48    START
 VG7      C48    O58    C49    .
 VG7      C49    C48    C50    .
 VG7      H491   C49    .      .
 VG7      H492   C49    .      .
 VG7      C50    C49    C51    .
 VG7      H501   C50    .      .
 VG7      H502   C50    .      .
 VG7      C51    C50    N47    .
 VG7      H511   C51    .      .
 VG7      H512   C51    .      .
 VG7      N47    C51    C5     .
 VG7      C5     N47    C4     .
 VG7      C6     C5     C1     .
 VG7      H6     C6     .      .
 VG7      C1     C6     N38    .
 VG7      N38    C1     C39    .
 VG7      H38    N38    .      .
 VG7      C39    N38    C41    .
 VG7      H391   C39    .      .
 VG7      H392   C39    .      .
 VG7      C41    C39    H411   .
 VG7      H413   C41    .      .
 VG7      H412   C41    .      .
 VG7      H411   C41    .      .
 VG7      C4     C5     C3     .
 VG7      H4     C4     .      .
 VG7      C3     C4     C7     .
 VG7      C2     C3     H2     .
 VG7      H2     C2     .      .
 VG7      C7     C3     N8     .
 VG7      O9     C7     .      .
 VG7      N8     C7     C10    .
 VG7      H8     N8     .      .
 VG7      C10    N8     C12    .
 VG7      H10    C10    .      .
 VG7      C11    C10    C14    .
 VG7      H111   C11    .      .
 VG7      H112   C11    .      .
 VG7      C14    C11    C21    .
 VG7      C21    C14    C20    .
 VG7      H21    C21    .      .
 VG7      C20    C21    C19    .
 VG7      H20    C20    .      .
 VG7      C19    C20    C18    .
 VG7      H19    C19    .      .
 VG7      C18    C19    C17    .
 VG7      H18    C18    .      .
 VG7      C17    C18    H17    .
 VG7      H17    C17    .      .
 VG7      C12    C10    C15    .
 VG7      H12    C12    .      .
 VG7      O13    C12    H13    .
 VG7      H13    O13    .      .
 VG7      C15    C12    N16    .
 VG7      H151   C15    .      .
 VG7      H152   C15    .      .
 VG7      N16    C15    C59    .
 VG7      H16    N16    .      .
 VG7      C59    N16    C65    .
 VG7      H59    C59    .      .
 VG7      C65    C59    C64    .
 VG7      H651   C65    .      .
 VG7      H652   C65    .      .
 VG7      C64    C65    C63    .
 VG7      H641   C64    .      .
 VG7      H642   C64    .      .
 VG7      C63    C64    C62    .
 VG7      H631   C63    .      .
 VG7      H632   C63    .      .
 VG7      C62    C63    C61    .
 VG7      H621   C62    .      .
 VG7      H622   C62    .      .
 VG7      C61    C62    H611   .
 VG7      H612   C61    .      .
 VG7      H611   C61    .      END
 VG7      C1     C2     .    ADD
 VG7      C14    C17    .    ADD
 VG7      N47    C48    .    ADD
 VG7      C59    C61    .    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
 VG7      C1     C2        single      1.390    0.020
 VG7      C1     C6        double      1.390    0.020
 VG7      N38    C1        single      1.350    0.020
 VG7      C2     C3        double      1.390    0.020
 VG7      C3     C4        single      1.390    0.020
 VG7      C7     C3        single      1.500    0.020
 VG7      C4     C5        double      1.390    0.020
 VG7      C6     C5        single      1.390    0.020
 VG7      C5     N47       single      1.400    0.020
 VG7      N8     C7        single      1.330    0.020
 VG7      O9     C7        double      1.220    0.020
 VG7      C10    N8        single      1.450    0.020
 VG7      C11    C10       single      1.524    0.020
 VG7      C12    C10       single      1.524    0.020
 VG7      C14    C11       single      1.511    0.020
 VG7      O13    C12       single      1.432    0.020
 VG7      C15    C12       single      1.524    0.020
 VG7      C14    C17       single      1.390    0.020
 VG7      C21    C14       double      1.390    0.020
 VG7      N16    C15       single      1.450    0.020
 VG7      C17    C18       double      1.390    0.020
 VG7      C18    C19       single      1.390    0.020
 VG7      C19    C20       double      1.390    0.020
 VG7      C20    C21       single      1.390    0.020
 VG7      C39    N38       single      1.450    0.020
 VG7      C41    C39       single      1.513    0.020
 VG7      N47    C48       single      1.330    0.020
 VG7      N47    C51       single      1.455    0.020
 VG7      C49    C48       single      1.510    0.020
 VG7      C48    O58       double      1.220    0.020
 VG7      C50    C49       single      1.524    0.020
 VG7      C51    C50       single      1.524    0.020
 VG7      C59    N16       single      1.450    0.020
 VG7      C59    C61       single      1.524    0.020
 VG7      C65    C59       single      1.524    0.020
 VG7      C61    C62       single      1.524    0.020
 VG7      C62    C63       single      1.524    0.020
 VG7      C63    C64       single      1.524    0.020
 VG7      C64    C65       single      1.524    0.020
 VG7      H2     C2        single      1.083    0.020
 VG7      H6     C6        single      1.083    0.020
 VG7      H38    N38       single      1.010    0.020
 VG7      H4     C4        single      1.083    0.020
 VG7      H8     N8        single      1.010    0.020
 VG7      H10    C10       single      1.099    0.020
 VG7      H111   C11       single      1.092    0.020
 VG7      H112   C11       single      1.092    0.020
 VG7      H12    C12       single      1.099    0.020
 VG7      H13    O13       single      0.967    0.020
 VG7      H151   C15       single      1.092    0.020
 VG7      H152   C15       single      1.092    0.020
 VG7      H17    C17       single      1.083    0.020
 VG7      H21    C21       single      1.083    0.020
 VG7      H16    N16       single      1.010    0.020
 VG7      H18    C18       single      1.083    0.020
 VG7      H19    C19       single      1.083    0.020
 VG7      H20    C20       single      1.083    0.020
 VG7      H391   C39       single      1.092    0.020
 VG7      H392   C39       single      1.092    0.020
 VG7      H411   C41       single      1.059    0.020
 VG7      H412   C41       single      1.059    0.020
 VG7      H413   C41       single      1.059    0.020
 VG7      H511   C51       single      1.092    0.020
 VG7      H512   C51       single      1.092    0.020
 VG7      H491   C49       single      1.092    0.020
 VG7      H492   C49       single      1.092    0.020
 VG7      H501   C50       single      1.092    0.020
 VG7      H502   C50       single      1.092    0.020
 VG7      H59    C59       single      1.099    0.020
 VG7      H611   C61       single      1.092    0.020
 VG7      H612   C61       single      1.092    0.020
 VG7      H651   C65       single      1.092    0.020
 VG7      H652   C65       single      1.092    0.020
 VG7      H621   C62       single      1.092    0.020
 VG7      H622   C62       single      1.092    0.020
 VG7      H631   C63       single      1.092    0.020
 VG7      H632   C63       single      1.092    0.020
 VG7      H641   C64       single      1.092    0.020
 VG7      H642   C64       single      1.092    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
 VG7      O58    C48    C49     120.500    3.000
 VG7      O58    C48    N47     123.000    3.000
 VG7      C49    C48    N47     116.500    3.000
 VG7      C48    C49    H491    109.470    3.000
 VG7      C48    C49    H492    109.470    3.000
 VG7      C48    C49    C50     109.470    3.000
 VG7      H491   C49    H492    107.900    3.000
 VG7      H491   C49    C50     109.470    3.000
 VG7      H492   C49    C50     109.470    3.000
 VG7      C49    C50    H501    109.470    3.000
 VG7      C49    C50    H502    109.470    3.000
 VG7      C49    C50    C51     111.000    3.000
 VG7      H501   C50    H502    107.900    3.000
 VG7      H501   C50    C51     109.470    3.000
 VG7      H502   C50    C51     109.470    3.000
 VG7      C50    C51    H511    109.470    3.000
 VG7      C50    C51    H512    109.470    3.000
 VG7      C50    C51    N47     105.000    3.000
 VG7      H511   C51    H512    107.900    3.000
 VG7      H511   C51    N47     109.470    3.000
 VG7      H512   C51    N47     109.470    3.000
 VG7      C51    N47    C5      120.000    3.000
 VG7      C51    N47    C48     127.000    3.000
 VG7      C5     N47    C48     120.000    3.000
 VG7      N47    C5     C6      120.000    3.000
 VG7      N47    C5     C4      120.000    3.000
 VG7      C6     C5     C4      120.000    3.000
 VG7      C5     C6     H6      120.000    3.000
 VG7      C5     C6     C1      120.000    3.000
 VG7      H6     C6     C1      120.000    3.000
 VG7      C6     C1     N38     120.000    3.000
 VG7      C6     C1     C2      120.000    3.000
 VG7      N38    C1     C2      120.000    3.000
 VG7      C1     N38    H38     120.000    3.000
 VG7      C1     N38    C39     120.000    3.000
 VG7      H38    N38    C39     118.500    3.000
 VG7      N38    C39    H391    109.470    3.000
 VG7      N38    C39    H392    109.470    3.000
 VG7      N38    C39    C41     112.000    3.000
 VG7      H391   C39    H392    107.900    3.000
 VG7      H391   C39    C41     109.470    3.000
 VG7      H392   C39    C41     109.470    3.000
 VG7      C39    C41    H413    109.470    3.000
 VG7      C39    C41    H412    109.470    3.000
 VG7      C39    C41    H411    109.470    3.000
 VG7      H413   C41    H412    109.470    3.000
 VG7      H413   C41    H411    109.470    3.000
 VG7      H412   C41    H411    109.470    3.000
 VG7      C5     C4     H4      120.000    3.000
 VG7      C5     C4     C3      120.000    3.000
 VG7      H4     C4     C3      120.000    3.000
 VG7      C4     C3     C2      120.000    3.000
 VG7      C4     C3     C7      120.000    3.000
 VG7      C2     C3     C7      120.000    3.000
 VG7      C3     C2     H2      120.000    3.000
 VG7      C3     C2     C1      120.000    3.000
 VG7      H2     C2     C1      120.000    3.000
 VG7      C3     C7     O9      120.500    3.000
 VG7      C3     C7     N8      120.000    3.000
 VG7      O9     C7     N8      123.000    3.000
 VG7      C7     N8     H8      120.000    3.000
 VG7      C7     N8     C10     121.500    3.000
 VG7      H8     N8     C10     118.500    3.000
 VG7      N8     C10    H10     108.550    3.000
 VG7      N8     C10    C11     110.000    3.000
 VG7      N8     C10    C12     110.000    3.000
 VG7      H10    C10    C11     108.340    3.000
 VG7      H10    C10    C12     108.340    3.000
 VG7      C11    C10    C12     111.000    3.000
 VG7      C10    C11    H111    109.470    3.000
 VG7      C10    C11    H112    109.470    3.000
 VG7      C10    C11    C14     109.470    3.000
 VG7      H111   C11    H112    107.900    3.000
 VG7      H111   C11    C14     109.470    3.000
 VG7      H112   C11    C14     109.470    3.000
 VG7      C11    C14    C21     120.000    3.000
 VG7      C11    C14    C17     120.000    3.000
 VG7      C21    C14    C17     120.000    3.000
 VG7      C14    C21    H21     120.000    3.000
 VG7      C14    C21    C20     120.000    3.000
 VG7      H21    C21    C20     120.000    3.000
 VG7      C21    C20    H20     120.000    3.000
 VG7      C21    C20    C19     120.000    3.000
 VG7      H20    C20    C19     120.000    3.000
 VG7      C20    C19    H19     120.000    3.000
 VG7      C20    C19    C18     120.000    3.000
 VG7      H19    C19    C18     120.000    3.000
 VG7      C19    C18    H18     120.000    3.000
 VG7      C19    C18    C17     120.000    3.000
 VG7      H18    C18    C17     120.000    3.000
 VG7      C18    C17    H17     120.000    3.000
 VG7      C18    C17    C14     120.000    3.000
 VG7      H17    C17    C14     120.000    3.000
 VG7      C10    C12    H12     108.340    3.000
 VG7      C10    C12    O13     109.470    3.000
 VG7      C10    C12    C15     111.000    3.000
 VG7      H12    C12    O13     109.470    3.000
 VG7      H12    C12    C15     108.340    3.000
 VG7      O13    C12    C15     109.470    3.000
 VG7      C12    O13    H13     109.470    3.000
 VG7      C12    C15    H151    109.470    3.000
 VG7      C12    C15    H152    109.470    3.000
 VG7      C12    C15    N16     110.000    3.000
 VG7      H151   C15    H152    107.900    3.000
 VG7      H151   C15    N16     109.470    3.000
 VG7      H152   C15    N16     109.470    3.000
 VG7      C15    N16    H16     118.500    3.000
 VG7      C15    N16    C59     120.000    3.000
 VG7      H16    N16    C59     118.500    3.000
 VG7      N16    C59    H59     108.550    3.000
 VG7      N16    C59    C65     110.000    3.000
 VG7      N16    C59    C61     110.000    3.000
 VG7      H59    C59    C65     108.340    3.000
 VG7      H59    C59    C61     108.340    3.000
 VG7      C65    C59    C61     109.470    3.000
 VG7      C59    C65    H651    109.470    3.000
 VG7      C59    C65    H652    109.470    3.000
 VG7      C59    C65    C64     111.000    3.000
 VG7      H651   C65    H652    107.900    3.000
 VG7      H651   C65    C64     109.470    3.000
 VG7      H652   C65    C64     109.470    3.000
 VG7      C65    C64    H641    109.470    3.000
 VG7      C65    C64    H642    109.470    3.000
 VG7      C65    C64    C63     111.000    3.000
 VG7      H641   C64    H642    107.900    3.000
 VG7      H641   C64    C63     109.470    3.000
 VG7      H642   C64    C63     109.470    3.000
 VG7      C64    C63    H631    109.470    3.000
 VG7      C64    C63    H632    109.470    3.000
 VG7      C64    C63    C62     111.000    3.000
 VG7      H631   C63    H632    107.900    3.000
 VG7      H631   C63    C62     109.470    3.000
 VG7      H632   C63    C62     109.470    3.000
 VG7      C63    C62    H621    109.470    3.000
 VG7      C63    C62    H622    109.470    3.000
 VG7      C63    C62    C61     111.000    3.000
 VG7      H621   C62    H622    107.900    3.000
 VG7      H621   C62    C61     109.470    3.000
 VG7      H622   C62    C61     109.470    3.000
 VG7      C62    C61    H612    109.470    3.000
 VG7      C62    C61    H611    109.470    3.000
 VG7      C62    C61    C59     111.000    3.000
 VG7      H612   C61    H611    107.900    3.000
 VG7      H612   C61    C59     109.470    3.000
 VG7      H611   C61    C59     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
 VG7      var_1    O58    C48    C49    C50      180.000   20.000   3
 VG7      var_2    C48    C49    C50    C51       30.000   20.000   3
 VG7      var_3    C49    C50    C51    N47      -30.000   20.000   3
 VG7      var_4    C50    C51    N47    C5       180.000   20.000   1
 VG7      CONST_1  C51    N47    C48    O58      180.000    0.000   0
 VG7      var_5    C51    N47    C5     C4       -48.273   20.000   1
 VG7      CONST_2  N47    C5     C6     C1       180.000    0.000   0
 VG7      CONST_3  C5     C6     C1     N38      180.000    0.000   0
 VG7      CONST_4  C6     C1     C2     C3         0.000    0.000   0
 VG7      var_6    C6     C1     N38    C39     -170.445   20.000   1
 VG7      var_7    C1     N38    C39    C41      -98.205   20.000   3
 VG7      var_8    N38    C39    C41    H411     -17.932   20.000   3
 VG7      CONST_5  N47    C5     C4     C3       180.000    0.000   0
 VG7      CONST_6  C5     C4     C3     C7       180.000    0.000   0
 VG7      CONST_7  C4     C3     C2     C1         0.000    0.000   0
 VG7      var_9    C4     C3     C7     N8      -138.019   20.000   1
 VG7      CONST_8  C3     C7     N8     C10      180.000    0.000   0
 VG7      var_10   C7     N8     C10    C12     -102.270   20.000   3
 VG7      var_11   N8     C10    C11    C14      -42.937   20.000   3
 VG7      var_12   C10    C11    C14    C21      -53.055   20.000   2
 VG7      CONST_9  C11    C14    C17    C18      180.000    0.000   0
 VG7      CONST_10 C11    C14    C21    C20      180.000    0.000   0
 VG7      CONST_11 C14    C21    C20    C19        0.000    0.000   0
 VG7      CONST_12 C21    C20    C19    C18        0.000    0.000   0
 VG7      CONST_13 C20    C19    C18    C17        0.000    0.000   0
 VG7      CONST_14 C19    C18    C17    C14        0.000    0.000   0
 VG7      var_13   N8     C10    C12    C15       65.028   20.000   3
 VG7      var_14   C10    C12    O13    H13     -150.682   20.000   1
 VG7      var_15   C10    C12    C15    N16      179.535   20.000   3
 VG7      var_16   C12    C15    N16    C59     -160.009   20.000   3
 VG7      var_17   C15    N16    C59    C65      163.357   20.000   3
 VG7      var_18   N16    C59    C61    C62      180.000   20.000   3
 VG7      var_19   N16    C59    C65    C64      180.000   20.000   3
 VG7      var_20   C59    C65    C64    C63        0.000   20.000   3
 VG7      var_21   C65    C64    C63    C62      -60.000   20.000   3
 VG7      var_22   C64    C63    C62    C61       60.000   20.000   3
 VG7      var_23   C63    C62    C61    C59        0.000   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
 VG7      chir_01  C10    N8     C11    C12       negativ
 VG7      chir_02  C12    C10    O13    C15       positiv
 VG7      chir_03  C59    N16    C61    C65       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
 VG7      plan-1    C1        0.020
 VG7      plan-1    C2        0.020
 VG7      plan-1    C6        0.020
 VG7      plan-1    N38       0.020
 VG7      plan-1    C3        0.020
 VG7      plan-1    C4        0.020
 VG7      plan-1    C5        0.020
 VG7      plan-1    H2        0.020
 VG7      plan-1    C7        0.020
 VG7      plan-1    H4        0.020
 VG7      plan-1    N47       0.020
 VG7      plan-1    H6        0.020
 VG7      plan-1    H38       0.020
 VG7      plan-2    C7        0.020
 VG7      plan-2    C3        0.020
 VG7      plan-2    N8        0.020
 VG7      plan-2    O9        0.020
 VG7      plan-2    H8        0.020
 VG7      plan-3    N8        0.020
 VG7      plan-3    C7        0.020
 VG7      plan-3    C10       0.020
 VG7      plan-3    H8        0.020
 VG7      plan-4    C14       0.020
 VG7      plan-4    C11       0.020
 VG7      plan-4    C17       0.020
 VG7      plan-4    C21       0.020
 VG7      plan-4    C18       0.020
 VG7      plan-4    C19       0.020
 VG7      plan-4    C20       0.020
 VG7      plan-4    H17       0.020
 VG7      plan-4    H18       0.020
 VG7      plan-4    H19       0.020
 VG7      plan-4    H20       0.020
 VG7      plan-4    H21       0.020
 VG7      plan-5    N38       0.020
 VG7      plan-5    C1        0.020
 VG7      plan-5    C39       0.020
 VG7      plan-5    H38       0.020
 VG7      plan-6    N47       0.020
 VG7      plan-6    C5        0.020
 VG7      plan-6    C48       0.020
 VG7      plan-6    C51       0.020
 VG7      plan-7    C48       0.020
 VG7      plan-7    N47       0.020
 VG7      plan-7    C49       0.020
 VG7      plan-7    O58       0.020
 VG7      plan-8    N16       0.020
 VG7      plan-8    C15       0.020
 VG7      plan-8    C59       0.020
 VG7      plan-8    H16       0.020
# ------------------------------------------------------