#
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
AG7      AG7 '4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(' non-polymer        84  43 M
#
data_comp_AG7
#
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
 AG7           C01    C    .         0.000
 AG7           C02    C    .         0.000
 AG7           O03    O    .         0.000
 AG7           C04    C    .         0.000
 AG7           C05    C    .         0.000
 AG7           C06    C    .         0.000
 AG7           C07    C    .         0.000
 AG7           C08    C    .         0.000
 AG7           C09    C    .         0.000
 AG7           C10    C    .         0.000
 AG7           C11    C    .         0.000
 AG7           N12    N    .         0.000
 AG7           C13    C    .         0.000
 AG7           C14    C    .         0.000
 AG7           C15    C    .         0.000
 AG7           C16    C    .         0.000
 AG7           N17    N    .         0.000
 AG7           O18    O    .         0.000
 AG7           C19    C    .         0.000
 AG7           C20    C    .         0.000
 AG7           C21    C    .         0.000
 AG7           O22    O    .         0.000
 AG7           O23    O    .         0.000
 AG7           C47    C    .         0.000
 AG7           O48    O    .         0.000
 AG7           C50    C    .         0.000
 AG7           C53    C    .         0.000
 AG7           C57    C    .         0.000
 AG7           N58    N    .         0.000
 AG7           C59    C    .         0.000
 AG7           O60    O    .         0.000
 AG7           C78    C    .         0.000
 AG7           C81    C    .         0.000
 AG7           F1     F    .         0.000
 AG7           C82    C    .         0.000
 AG7           C83    C    .         0.000
 AG7           C84    C    .         0.000
 AG7           C1     C    .         0.000
 AG7           C2     C    .         0.000
 AG7           C3     C    .         0.000
 AG7           O4     O    .         0.000
 AG7           N5     N    .         0.000
 AG7           C4     C    .         0.000
 AG7           H27    H    .         0.000
 AG7           H28    H    .         0.000
 AG7           H29    H    .         0.000
 AG7           H30    H    .         0.000
 AG7           H31    H    .         0.000
 AG7           H33    H    .         0.000
 AG7           H34    H    .         0.000
 AG7           H35    H    .         0.000
 AG7           H36    H    .         0.000
 AG7           H39    H    .         0.000
 AG7           H191   H    .         0.000
 AG7           H192   H    .         0.000
 AG7           H41    H    .         0.000
 AG7           H42    H    .         0.000
 AG7           H49    H    .         0.000
 AG7           H51    H    .         0.000
 AG7           H52    H    .         0.000
 AG7           H53    H    .         0.000
 AG7           H54    H    .         0.000
 AG7           H56    H    .         0.000
 AG7           H61    H    .         0.000
 AG7           H77    H    .         0.000
 AG7           H79    H    .         0.000
 AG7           H82    H    .         0.000
 AG7           H91    H    .         0.000
 AG7           H84    H    .         0.000
 AG7           H85    H    .         0.000
 AG7           H86    H    .         0.000
 AG7           H87    H    .         0.000
 AG7           H88    H    .         0.000
 AG7           H89    H    .         0.000
 AG7           H90    H    .         0.000
 AG7           H92    H    .         0.000
 AG7           H93    H    .         0.000
 AG7           H94    H    .         0.000
 AG7           H2     H    .         0.000
 AG7           H3     H    .         0.000
 AG7           H8     H    .         0.000
 AG7           H5     H    .         0.000
 AG7           H6     H    .         0.000
 AG7           H7     H    .         0.000
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
 AG7        C01    C02       single
 AG7        C01    O03       double
 AG7        C01    C57       single
 AG7        C02    C04       single
 AG7        C02    H2        single
 AG7        C02    H3        single
 AG7        C04    C05       single
 AG7        C04    C47       single
 AG7        C04    H27       single
 AG7        C05    C06       single
 AG7        C05    H28       single
 AG7        C05    H29       single
 AG7        C06    C07       double
 AG7        C06    C11       single
 AG7        C07    C08       single
 AG7        C07    H30       single
 AG7        C08    C09       double
 AG7        C08    H31       single
 AG7        C09    C10       single
 AG7        C09    F1        single
 AG7        C10    C11       double
 AG7        C10    H33       single
 AG7        C11    H34       single
 AG7        N12    C13       single
 AG7        N12    C47       single
 AG7        N12    H49       single
 AG7        C13    C14       single
 AG7        C13    C19       single
 AG7        C13    H91       single
 AG7        C14    C15       single
 AG7        C14    H35       single
 AG7        C14    H36       single
 AG7        C15    C16       single
 AG7        C15    C84       single
 AG7        C15    H94       single
 AG7        C16    N17       single
 AG7        C16    O18       double
 AG7        N17    H39       single
 AG7        N17    C83       single
 AG7        C19    C20       single
 AG7        C19    H191      single
 AG7        C19    H192      single
 AG7        C20    C21       single
 AG7        C20    H41       single
 AG7        C20    H42       single
 AG7        C21    O22       single
 AG7        C21    O23       double
 AG7        O22    C50       single
 AG7        C47    O48       double
 AG7        C50    C53       single
 AG7        C50    H51       single
 AG7        C50    H52       single
 AG7        C53    H53       single
 AG7        C53    H54       single
 AG7        C53    H56       single
 AG7        C57    N58       single
 AG7        C57    C78       single
 AG7        C57    H77       single
 AG7        N58    C59       single
 AG7        N58    H61       single
 AG7        C59    O60       double
 AG7        C59    C1        single
 AG7        C78    C81       single
 AG7        C78    H79       single
 AG7        C78    C82       single
 AG7        C81    H82       single
 AG7        C81    H84       single
 AG7        C81    H85       single
 AG7        C82    H86       single
 AG7        C82    H87       single
 AG7        C82    H88       single
 AG7        C83    H89       single
 AG7        C83    H90       single
 AG7        C83    C84       single
 AG7        C84    H92       single
 AG7        C84    H93       single
 AG7        C1     C2        single
 AG7        C1     N5        double
 AG7        C2     C3        double
 AG7        C2     H8        single
 AG7        C3     O4        single
 AG7        C3     C4        single
 AG7        O4     N5        single
 AG7        C4     H5        single
 AG7        C4     H6        single
 AG7        C4     H7        single