#
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
IDC      IDC '5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-I' non-polymer        47  25 M
#
data_comp_IDC
#
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
 IDC           C1A    C    .         0.000
 IDC           C2A    C    .         0.000
 IDC           C3A    C    .         0.000
 IDC           C4A    C    .         0.000
 IDC           C5A    C    .         0.000
 IDC           C6A    C    .         0.000
 IDC           O2A    O    .         0.000
 IDC           O3A    O    .         0.000
 IDC           O4A    O    .         0.000
 IDC           O5A    O    .         0.000
 IDC           O6A    O    .         0.000
 IDC           C1B    C    .         0.000
 IDC           C2B    C    .         0.000
 IDC           C3B    C    .         0.000
 IDC           C4B    C    .         0.000
 IDC           C5B    C    .         0.000
 IDC           C6B    C    .         0.000
 IDC           O2B    O    .         0.000
 IDC           O3B    O    .         0.000
 IDC           O4B    O    .         0.000
 IDC           N1B    N    .         0.000
 IDC           O6B    O    .         0.000
 IDC           N2B    N    .         0.000
 IDC           C7B    C    .         0.000
 IDC           C8B    C    .         0.000
 IDC           HC1A   H    .         0.000
 IDC           HC2A   H    .         0.000
 IDC           HO2A   H    .         0.000
 IDC           HC3A   H    .         0.000
 IDC           HO3A   H    .         0.000
 IDC           HC4A   H    .         0.000
 IDC           HO4A   H    .         0.000
 IDC           HC5A   H    .         0.000
 IDC           HCA1   H    .         0.000
 IDC           HCA2   H    .         0.000
 IDC           HO6A   H    .         0.000
 IDC           HC2B   H    .         0.000
 IDC           HO2B   H    .         0.000
 IDC           HC3B   H    .         0.000
 IDC           HO3B   H    .         0.000
 IDC           HC4B   H    .         0.000
 IDC           HC5B   H    .         0.000
 IDC           HCB1   H    .         0.000
 IDC           HCB2   H    .         0.000
 IDC           HO6B   H    .         0.000
 IDC           HC7B   H    .         0.000
 IDC           HC8B   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
 IDC        C1A    C2A       single
 IDC        C1A    O5A       single
 IDC        C1A    O4B       single
 IDC        C1A    HC1A      single
 IDC        C2A    C3A       single
 IDC        C2A    O2A       single
 IDC        C2A    HC2A      single
 IDC        C3A    C4A       single
 IDC        C3A    O3A       single
 IDC        C3A    HC3A      single
 IDC        C4A    C5A       single
 IDC        C4A    O4A       single
 IDC        C4A    HC4A      single
 IDC        C5A    C6A       single
 IDC        C5A    O5A       single
 IDC        C5A    HC5A      single
 IDC        C6A    O6A       single
 IDC        C6A    HCA1      single
 IDC        C6A    HCA2      single
 IDC        O2A    HO2A      single
 IDC        O3A    HO3A      single
 IDC        O4A    HO4A      single
 IDC        O6A    HO6A      single
 IDC        C1B    C2B       single
 IDC        C1B    N1B       single
 IDC        C1B    N2B       double
 IDC        C2B    C3B       single
 IDC        C2B    O2B       single
 IDC        C2B    HC2B      single
 IDC        C3B    C4B       single
 IDC        C3B    O3B       single
 IDC        C3B    HC3B      single
 IDC        C4B    C5B       single
 IDC        C4B    O4B       single
 IDC        C4B    HC4B      single
 IDC        C5B    C6B       single
 IDC        C5B    N1B       single
 IDC        C5B    HC5B      single
 IDC        C6B    O6B       single
 IDC        C6B    HCB1      single
 IDC        C6B    HCB2      single
 IDC        O2B    HO2B      single
 IDC        O3B    HO3B      single
 IDC        N1B    C8B       single
 IDC        O6B    HO6B      single
 IDC        N2B    C7B       single
 IDC        C7B    C8B       double
 IDC        C7B    HC7B      single
 IDC        C8B    HC8B      single