#
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
UIN UIN '5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(' non-polymer 47 23 M
#
data_comp_UIN
#
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
UIN CA C . 0.000
UIN CA2 C . 0.000
UIN OA2 O . 0.000
UIN OA3 O . 0.000
UIN CA4 C . 0.000
UIN CA5 C . 0.000
UIN CA6 C . 0.000
UIN OA6 O . 0.000
UIN CB1 C . 0.000
UIN CB2 C . 0.000
UIN CB3 C . 0.000
UIN CB4 C . 0.000
UIN CB5 C . 0.000
UIN CB6 C . 0.000
UIN CG1 C . 0.000
UIN CG2 C . 0.000
UIN CG3 C . 0.000
UIN CD1 C . 0.000
UIN CD2 C . 0.000
UIN CD3 C . 0.000
UIN CD4 C . 0.000
UIN CD5 C . 0.000
UIN CD6 C . 0.000
UIN HO6 H . 0.000
UIN HB2 H . 0.000
UIN HB3 H . 0.000
UIN HB4 H . 0.000
UIN HB5 H . 0.000
UIN HB6 H . 0.000
UIN HG1 H . 0.000
UIN HG21 H . 0.000
UIN HG22 H . 0.000
UIN HG31 H . 0.000
UIN HG32 H . 0.000
UIN HG33 H . 0.000
UIN HD11 H . 0.000
UIN HD12 H . 0.000
UIN HD21 H . 0.000
UIN HD22 H . 0.000
UIN HD31 H . 0.000
UIN HD32 H . 0.000
UIN HD41 H . 0.000
UIN HD42 H . 0.000
UIN HD51 H . 0.000
UIN HD52 H . 0.000
UIN HD61 H . 0.000
UIN HD62 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
UIN CA CA2 single
UIN CA CA6 double
UIN CA CG1 single
UIN CA2 OA2 double
UIN CA2 OA3 single
UIN OA3 CA4 single
UIN CA4 CA5 double
UIN CA4 CD1 single
UIN CA5 CA6 single
UIN CA5 CD6 single
UIN CA6 OA6 single
UIN OA6 HO6 single
UIN CB1 CB2 double
UIN CB1 CB6 single
UIN CB1 CG1 single
UIN CB2 CB3 single
UIN CB2 HB2 single
UIN CB3 CB4 double
UIN CB3 HB3 single
UIN CB4 CB5 single
UIN CB4 HB4 single
UIN CB5 CB6 double
UIN CB5 HB5 single
UIN CB6 HB6 single
UIN CG1 CG2 single
UIN CG1 HG1 single
UIN CG2 CG3 single
UIN CG2 HG21 single
UIN CG2 HG22 single
UIN CG3 HG31 single
UIN CG3 HG32 single
UIN CG3 HG33 single
UIN CD1 CD2 single
UIN CD1 HD11 single
UIN CD1 HD12 single
UIN CD2 CD3 single
UIN CD2 HD21 single
UIN CD2 HD22 single
UIN CD3 CD4 single
UIN CD3 HD31 single
UIN CD3 HD32 single
UIN CD4 CD5 single
UIN CD4 HD41 single
UIN CD4 HD42 single
UIN CD5 CD6 single
UIN CD5 HD51 single
UIN CD5 HD52 single
UIN CD6 HD61 single
UIN CD6 HD62 single