#
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
T6P      T6P 'TREHALOSE-6-PHOSPHATE               ' non-polymer        50  27 M
#
data_comp_T6P
#
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
 T6P           C1     C    .         0.000
 T6P           C2     C    .         0.000
 T6P           C3     C    .         0.000
 T6P           C4     C    .         0.000
 T6P           C5     C    .         0.000
 T6P           C6     C    .         0.000
 T6P           O1     O    .         0.000
 T6P           O2     O    .         0.000
 T6P           O3     O    .         0.000
 T6P           O4     O    .         0.000
 T6P           O5     O    .         0.000
 T6P           O6     O    .         0.000
 T6P           C1P    C    .         0.000
 T6P           C2P    C    .         0.000
 T6P           C3P    C    .         0.000
 T6P           C4P    C    .         0.000
 T6P           C5P    C    .         0.000
 T6P           C6P    C    .         0.000
 T6P           O2P    O    .         0.000
 T6P           O3P    O    .         0.000
 T6P           O4P    O    .         0.000
 T6P           O5P    O    .         0.000
 T6P           O6P    O    .         0.000
 T6P           P      P    .         0.000
 T6P           O7P    O    .         0.000
 T6P           O8P    O    .         0.000
 T6P           O9P    O    .         0.000
 T6P           HO6    H    .         0.000
 T6P           HC61   H    .         0.000
 T6P           HC62   H    .         0.000
 T6P           HC5    H    .         0.000
 T6P           HC4    H    .         0.000
 T6P           HO4    H    .         0.000
 T6P           HC3    H    .         0.000
 T6P           HO3    H    .         0.000
 T6P           HC2    H    .         0.000
 T6P           HO2    H    .         0.000
 T6P           HC1    H    .         0.000
 T6P           HC1P   H    .         0.000
 T6P           HC2P   H    .         0.000
 T6P           HO2P   H    .         0.000
 T6P           HC3P   H    .         0.000
 T6P           HO3P   H    .         0.000
 T6P           HC4P   H    .         0.000
 T6P           HO4P   H    .         0.000
 T6P           HC5P   H    .         0.000
 T6P           C6P1   H    .         0.000
 T6P           C6P2   H    .         0.000
 T6P           HOP7   H    .         0.000
 T6P           HOP8   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
 T6P        C1     C2        single
 T6P        C1     O1        single
 T6P        C1     O5        single
 T6P        C1     HC1       single
 T6P        C2     C3        single
 T6P        C2     O2        single
 T6P        C2     HC2       single
 T6P        C3     C4        single
 T6P        C3     O3        single
 T6P        C3     HC3       single
 T6P        C4     C5        single
 T6P        C4     O4        single
 T6P        C4     HC4       single
 T6P        C5     C6        single
 T6P        C5     O5        single
 T6P        C5     HC5       single
 T6P        C6     O6        single
 T6P        C6     HC61      single
 T6P        C6     HC62      single
 T6P        O1     C1P       single
 T6P        O2     HO2       single
 T6P        O3     HO3       single
 T6P        O4     HO4       single
 T6P        O6     HO6       single
 T6P        C1P    C2P       single
 T6P        C1P    O5P       single
 T6P        C1P    HC1P      single
 T6P        C2P    C3P       single
 T6P        C2P    O2P       single
 T6P        C2P    HC2P      single
 T6P        C3P    C4P       single
 T6P        C3P    O3P       single
 T6P        C3P    HC3P      single
 T6P        C4P    C5P       single
 T6P        C4P    O4P       single
 T6P        C4P    HC4P      single
 T6P        C5P    C6P       single
 T6P        C5P    O5P       single
 T6P        C5P    HC5P      single
 T6P        C6P    O6P       single
 T6P        C6P    C6P1      single
 T6P        C6P    C6P2      single
 T6P        O2P    HO2P      single
 T6P        O3P    HO3P      single
 T6P        O4P    HO4P      single
 T6P        O6P    P         single
 T6P        P      O7P       single
 T6P        P      O8P       single
 T6P        P      O9P       double
 T6P        O7P    HOP7      single
 T6P        O8P    HOP8      single