# 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 ACI ACI '6-AMINO-4-HYDROXYMETHYL-CYCLOHEX-4-E' non-polymer 25 12 M # data_comp_ACI # 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 ACI C1 C . 0.000 ACI C2 C . 0.000 ACI C3 C . 0.000 ACI C4 C . 0.000 ACI C5 C . 0.000 ACI C6 C . 0.000 ACI C7 C . 0.000 ACI N1 N . 0.000 ACI O2 O . 0.000 ACI O3 O . 0.000 ACI O4 O . 0.000 ACI O6 O . 0.000 ACI H1 H . 0.000 ACI H2 H . 0.000 ACI H3 H . 0.000 ACI H4 H . 0.000 ACI H61 H . 0.000 ACI H62 H . 0.000 ACI H7 H . 0.000 ACI HN11 H . 0.000 ACI HN12 H . 0.000 ACI HO2 H . 0.000 ACI HO3 H . 0.000 ACI HO4 H . 0.000 ACI HO6 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 ACI C1 C2 single ACI C1 C7 single ACI C1 N1 single ACI C1 H1 single ACI C2 C3 single ACI C2 O2 single ACI C2 H2 single ACI C3 C4 single ACI C3 O3 single ACI C3 H3 single ACI C4 C5 single ACI C4 O4 single ACI C4 H4 single ACI C5 C6 single ACI C5 C7 double ACI C6 O6 single ACI C6 H61 single ACI C6 H62 single ACI C7 H7 single ACI N1 HN11 single ACI N1 HN12 single ACI O2 HO2 single ACI O3 HO3 single ACI O4 HO4 single ACI O6 HO6 single