# 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 IIN IIN '2-METHYL-3-AMINO-3-PHENYLISOINDOL-1-' non-polymer 32 18 M # data_comp_IIN # 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 IIN C1 C . 0.000 IIN O1 O . 0.000 IIN N2 N . 0.000 IIN C3 C . 0.000 IIN C3A C . 0.000 IIN C4 C . 0.000 IIN C5 C . 0.000 IIN C6 C . 0.000 IIN C7 C . 0.000 IIN C7A C . 0.000 IIN CM2 C . 0.000 IIN N3 N . 0.000 IIN 'C1'' C . 0.000 IIN 'C2'' C . 0.000 IIN 'C3'' C . 0.000 IIN 'C4'' C . 0.000 IIN 'C5'' C . 0.000 IIN 'C6'' C . 0.000 IIN H4 H . 0.000 IIN H5 H . 0.000 IIN H6 H . 0.000 IIN H7 H . 0.000 IIN HM21 H . 0.000 IIN HM22 H . 0.000 IIN HM23 H . 0.000 IIN HN31 H . 0.000 IIN HN32 H . 0.000 IIN 'H2'' H . 0.000 IIN 'H3'' H . 0.000 IIN 'H4'' H . 0.000 IIN 'H5'' H . 0.000 IIN 'H6'' 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 IIN C1 N2 single IIN C1 C7A single IIN C1 O1 double IIN N2 C3 single IIN N2 CM2 single IIN C3 C3A single IIN C3 'C1'' single IIN C3 N3 single IIN C3A C4 double IIN C3A C7A single IIN C4 C5 single IIN C4 H4 single IIN C5 C6 double IIN C5 H5 single IIN C6 C7 single IIN C6 H6 single IIN C7 C7A double IIN C7 H7 single IIN CM2 HM21 single IIN CM2 HM22 single IIN CM2 HM23 single IIN N3 HN31 single IIN N3 HN32 single IIN 'C1'' 'C2'' double IIN 'C1'' 'C6'' single IIN 'C2'' 'C3'' single IIN 'C2'' 'H2'' single IIN 'C3'' 'C4'' double IIN 'C3'' 'H3'' single IIN 'C4'' 'C5'' single IIN 'C4'' 'H4'' single IIN 'C5'' 'C6'' double IIN 'C5'' 'H5'' single IIN 'C6'' 'H6'' single