#
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
AMD      AMD 'ASPARTYL-2"-DEOXY-ADENOSINE-5"-MONOP' non-polymer        49  30 M
#
data_comp_AMD
#
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
 AMD           P      P    .         0.000
 AMD           O1P    O    .         0.000
 AMD           O2P    O    .         0.000
 AMD           O3P    O    .         0.000
 AMD           O5*    O    .         0.000
 AMD           C5*    C    .         0.000
 AMD           C4*    C    .         0.000
 AMD           O4*    O    .         0.000
 AMD           C1*    C    .         0.000
 AMD           N9     N    .         0.000
 AMD           C4     C    .         0.000
 AMD           N3     N    .         0.000
 AMD           C2     C    .         0.000
 AMD           N1     N    .         0.000
 AMD           C6     C    .         0.000
 AMD           N6     N    .         0.000
 AMD           C5     C    .         0.000
 AMD           N7     N    .         0.000
 AMD           C8     C    .         0.000
 AMD           C2*    C    .         0.000
 AMD           C3*    C    .         0.000
 AMD           O3*    O    .         0.000
 AMD           N      N    .         0.000
 AMD           CA     C    .         0.000
 AMD           CB     C    .         0.000
 AMD           CG     C    .         0.000
 AMD           OD1    O    .         0.000
 AMD           OD2    O    .         0.000
 AMD           C      C    .         0.000
 AMD           O      O    .         0.000
 AMD           HOP2   H    .         0.000
 AMD           H5*1   H    .         0.000
 AMD           H5*2   H    .         0.000
 AMD           H4*    H    .         0.000
 AMD           H3*    H    .         0.000
 AMD           H2*1   H    .         0.000
 AMD           H2*2   H    .         0.000
 AMD           H1*    H    .         0.000
 AMD           HO*3   H    .         0.000
 AMD           H2     H    .         0.000
 AMD           H61    H    .         0.000
 AMD           H62    H    .         0.000
 AMD           H8     H    .         0.000
 AMD           HA     H    .         0.000
 AMD           H      H    .         0.000
 AMD           HN2    H    .         0.000
 AMD           HB1    H    .         0.000
 AMD           HB2    H    .         0.000
 AMD           HD2    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
 AMD        P      O1P       double
 AMD        P      O2P       single
 AMD        P      O3P       single
 AMD        P      O5*       single
 AMD        O2P    HOP2      single
 AMD        O3P    C         single
 AMD        O5*    C5*       single
 AMD        C5*    C4*       single
 AMD        C5*    H5*1      single
 AMD        C5*    H5*2      single
 AMD        C4*    O4*       single
 AMD        C4*    C3*       single
 AMD        C4*    H4*       single
 AMD        O4*    C1*       single
 AMD        C1*    N9        single
 AMD        C1*    C2*       single
 AMD        C1*    H1*       single
 AMD        N9     C4        single
 AMD        N9     C8        single
 AMD        C4     N3        single
 AMD        C4     C5        double
 AMD        N3     C2        double
 AMD        C2     N1        single
 AMD        C2     H2        single
 AMD        N1     C6        double
 AMD        C6     N6        single
 AMD        C6     C5        single
 AMD        N6     H61       single
 AMD        N6     H62       single
 AMD        C5     N7        single
 AMD        N7     C8        double
 AMD        C8     H8        single
 AMD        C2*    C3*       single
 AMD        C2*    H2*1      single
 AMD        C2*    H2*2      single
 AMD        C3*    O3*       single
 AMD        C3*    H3*       single
 AMD        O3*    HO*3      single
 AMD        N      CA        single
 AMD        N      H         single
 AMD        N      HN2       single
 AMD        CA     CB        single
 AMD        CA     C         single
 AMD        CA     HA        single
 AMD        CB     CG        single
 AMD        CB     HB1       single
 AMD        CB     HB2       single
 AMD        CG     OD1       double
 AMD        CG     OD2       single
 AMD        OD2    HD2       single
 AMD        C      O         double