#
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
G20      G20 '4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL' non-polymer        47  24 M
#
data_comp_G20
#
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
 G20           C1     C    .         0.000
 G20           O1A    O    .         0.000
 G20           O1B    O    .         0.000
 G20           C2     C    .         0.000
 G20           C3     C    .         0.000
 G20           C4     C    .         0.000
 G20           C5     C    .         0.000
 G20           N5     N    .         0.000
 G20           C10    C    .         0.000
 G20           O10    O    .         0.000
 G20           C11    C    .         0.000
 G20           C6     C    .         0.000
 G20           O6     O    .         0.000
 G20           C7     C    .         0.000
 G20           O7     O    .         0.000
 G20           N8     N    .         0.000
 G20           C81    C    .         0.000
 G20           C9     C    .         0.000
 G20           C91    C    .         0.000
 G20           C92    C    .         0.000
 G20           NE     N    .         0.000
 G20           CZ     C    .         0.000
 G20           NH1    N    .         0.000
 G20           NH2    N    .         0.000
 G20           HO1    H    .         0.000
 G20           H3     H    .         0.000
 G20           H4     H    .         0.000
 G20           H5     H    .         0.000
 G20           HN5    H    .         0.000
 G20           H111   H    .         0.000
 G20           H112   H    .         0.000
 G20           H113   H    .         0.000
 G20           H6     H    .         0.000
 G20           H811   H    .         0.000
 G20           H812   H    .         0.000
 G20           H813   H    .         0.000
 G20           H91    H    .         0.000
 G20           H92    H    .         0.000
 G20           H911   H    .         0.000
 G20           H912   H    .         0.000
 G20           H921   H    .         0.000
 G20           H922   H    .         0.000
 G20           H923   H    .         0.000
 G20           HNE    H    .         0.000
 G20           HN1    H    .         0.000
 G20           HN21   H    .         0.000
 G20           HN22   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
 G20        C1     O1A       double
 G20        C1     O1B       single
 G20        C1     C2        single
 G20        O1B    HO1       single
 G20        C2     C3        double
 G20        C2     O6        single
 G20        C3     C4        single
 G20        C3     H3        single
 G20        C4     C5        single
 G20        C4     NE        single
 G20        C4     H4        single
 G20        C5     N5        single
 G20        C5     C6        single
 G20        C5     H5        single
 G20        N5     C10       single
 G20        N5     HN5       single
 G20        C10    O10       double
 G20        C10    C11       single
 G20        C11    H111      single
 G20        C11    H112      single
 G20        C11    H113      single
 G20        C6     O6        single
 G20        C6     C7        single
 G20        C6     H6        single
 G20        C7     O7        double
 G20        C7     N8        single
 G20        N8     C81       single
 G20        N8     C9        single
 G20        C81    H811      single
 G20        C81    H812      single
 G20        C81    H813      single
 G20        C9     C91       single
 G20        C9     H91       single
 G20        C9     H92       single
 G20        C91    C92       single
 G20        C91    H911      single
 G20        C91    H912      single
 G20        C92    H921      single
 G20        C92    H922      single
 G20        C92    H923      single
 G20        NE     CZ        single
 G20        NE     HNE       single
 G20        CZ     NH1       double
 G20        CZ     NH2       single
 G20        NH1    HN1       single
 G20        NH2    HN21      single
 G20        NH2    HN22      single