#
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
TP7      TP7 'PHOSPHORIC ACID N-(1-HYDROXY-7-MERCA' non-polymer        45  21 M
#
data_comp_TP7
#
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
 TP7           N      N    .         0.000
 TP7           P      P    .         0.000
 TP7           O1P    O    .         0.000
 TP7           O2P    O    .         0.000
 TP7           O3P    O    .         0.000
 TP7           O4P    O    .         0.000
 TP7           CB     C    .         0.000
 TP7           C      C    .         0.000
 TP7           O      O    .         0.000
 TP7           OXT    O    .         0.000
 TP7           CA     C    .         0.000
 TP7           CG     C    .         0.000
 TP7           O1     O    .         0.000
 TP7           C1     C    .         0.000
 TP7           C2     C    .         0.000
 TP7           C3     C    .         0.000
 TP7           C4     C    .         0.000
 TP7           C5     C    .         0.000
 TP7           C6     C    .         0.000
 TP7           C7     C    .         0.000
 TP7           S7     S    .         0.000
 TP7           HN     H    .         0.000
 TP7           HOP2   H    .         0.000
 TP7           HOP3   H    .         0.000
 TP7           HB     H    .         0.000
 TP7           HXT    H    .         0.000
 TP7           HA     H    .         0.000
 TP7           HG1    H    .         0.000
 TP7           HG2    H    .         0.000
 TP7           HG3    H    .         0.000
 TP7           HO1    H    .         0.000
 TP7           H1     H    .         0.000
 TP7           H21    H    .         0.000
 TP7           H22    H    .         0.000
 TP7           H31    H    .         0.000
 TP7           H32    H    .         0.000
 TP7           H41    H    .         0.000
 TP7           H42    H    .         0.000
 TP7           H51    H    .         0.000
 TP7           H52    H    .         0.000
 TP7           H61    H    .         0.000
 TP7           H62    H    .         0.000
 TP7           H71    H    .         0.000
 TP7           H72    H    .         0.000
 TP7           HS7    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
 TP7        N      CA        single
 TP7        N      C1        single
 TP7        N      HN        single
 TP7        P      O4P       single
 TP7        P      O2P       single
 TP7        P      O3P       single
 TP7        P      O1P       double
 TP7        O2P    HOP2      single
 TP7        O3P    HOP3      single
 TP7        O4P    CB        single
 TP7        CB     CA        single
 TP7        CB     CG        single
 TP7        CB     HB        single
 TP7        C      O         double
 TP7        C      OXT       single
 TP7        C      CA        single
 TP7        OXT    HXT       single
 TP7        CA     HA        single
 TP7        CG     HG1       single
 TP7        CG     HG2       single
 TP7        CG     HG3       single
 TP7        O1     C1        single
 TP7        O1     HO1       single
 TP7        C1     C2        single
 TP7        C1     H1        single
 TP7        C2     C3        single
 TP7        C2     H21       single
 TP7        C2     H22       single
 TP7        C3     C4        single
 TP7        C3     H31       single
 TP7        C3     H32       single
 TP7        C4     C5        single
 TP7        C4     H41       single
 TP7        C4     H42       single
 TP7        C5     C6        single
 TP7        C5     H51       single
 TP7        C5     H52       single
 TP7        C6     C7        single
 TP7        C6     H61       single
 TP7        C6     H62       single
 TP7        C7     S7        single
 TP7        C7     H71       single
 TP7        C7     H72       single
 TP7        S7     HS7       single