# 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 PSU PSU 'Pseudouridine ' RNA 29 20 . # data_comp_PSU # 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 PSU P P P 0.000 PSU O1P O OP 0.000 PSU O2P O OP 0.000 PSU O5* O O2 0.000 PSU C5* C CH2 0.000 PSU H5*1 H HCH2 0.000 PSU H5*2 H HCH2 0.000 PSU C4* C CH1 0.000 PSU H4* H HCH1 0.000 PSU O4* O O2 0.000 PSU C1* C CH1 0.000 PSU H1* H HCH1 0.000 PSU C5 C CR6 0.000 PSU C4 C CR6 0.000 PSU O4 O O 0.000 PSU N3 N NR16 0.000 PSU HN3 H HNR6 0.000 PSU C2 C CR6 0.000 PSU O2 O O 0.000 PSU N1 N NR16 0.000 PSU HN1 H HNR6 0.000 PSU C6 C CR16 0.000 PSU H6 H HCR6 0.000 PSU C2* C CH1 0.000 PSU H2* H HCH1 0.000 PSU O2* O O 0.000 PSU C3* C CH1 0.000 PSU H3* H HCH1 0.000 PSU O3* O O 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type PSU P n/a O5* START PSU O1P P . . PSU O2P P . . PSU O5* P C5* . PSU C5* O5* C4* . PSU H5*1 C5* . . PSU H5*2 C5* . . PSU C4* C5* C3* . PSU H4* C4* . . PSU O4* C4* C1* . PSU C1* O4* C2* . PSU H1* C1* . . PSU C5 C1* C4 . PSU C4 C5 N3 . PSU O4 C4 . . PSU N3 C4 C2 . PSU HN3 N3 . . PSU C2 N3 N1 . PSU O2 C2 . . PSU N1 C2 C6 . PSU HN1 N1 . . PSU C6 N1 H6 . PSU H6 C6 . . PSU C2* C1* O2* . PSU H2* C2* . . PSU O2* C2* . . PSU C3* C4* O3* . PSU H3* C3* . . PSU O3* C3* . END PSU C2* C3* . ADD PSU C5 C6 . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd PSU O1P P coval 1.480 0.020 PSU O2P P coval 1.480 0.020 PSU O5* P coval 1.610 0.020 PSU C5* O5* coval 1.410 0.020 PSU C4* C5* coval 1.524 0.020 PSU O4* C4* coval 1.410 0.020 PSU C1* O4* coval 1.410 0.020 PSU C5 C1* coval 1.500 0.020 PSU C4 C5 coval 1.390 0.020 PSU O4 C4 coval 1.230 0.020 PSU N3 C4 coval 1.380 0.020 PSU C2 N3 coval 1.380 0.020 PSU O2 C2 coval 1.230 0.020 PSU N1 C2 coval 1.380 0.020 PSU C6 N1 coval 1.350 0.020 PSU C2* C1* coval 1.524 0.020 PSU O2* C2* coval 1.410 0.020 PSU C3* C4* coval 1.524 0.020 PSU O3* C3* coval 1.410 0.020 PSU H5*1 C5* coval 1.090 0.020 PSU H5*2 C5* coval 1.090 0.020 PSU H4* C4* coval 1.090 0.020 PSU H1* C1* coval 1.090 0.020 PSU HN3 N3 coval 1.040 0.020 PSU HN1 N1 coval 1.040 0.020 PSU H6 C6 coval 1.090 0.020 PSU H2* C2* coval 1.090 0.020 PSU H3* C3* coval 1.090 0.020 PSU C5 C6 coval 1.390 0.020 PSU C2* C3* coval 1.524 0.020 loop_ _chem_comp_angle.comp_id _chem_comp_angle.atom_id_1 _chem_comp_angle.atom_id_2 _chem_comp_angle.atom_id_3 _chem_comp_angle.value_angle _chem_comp_angle.value_angle_esd PSU O1P P O2P 119.900 3.000 PSU O2P P O5* 108.200 3.000 PSU P O5* C5* 120.500 3.000 PSU O5* C5* H5*1 109.470 3.000 PSU O5* C5* H5*2 109.470 3.000 PSU O5* C5* C4* 109.470 3.000 PSU H5*1 C5* H5*2 107.900 3.000 PSU H5*2 C5* C4* 109.470 3.000 PSU C5* C4* H4* 108.340 3.000 PSU C5* C4* O4* 109.470 3.000 PSU C5* C4* C3* 111.000 3.000 PSU H4* C4* O4* 109.470 3.000 PSU O4* C4* C3* 109.470 3.000 PSU C4* O4* C1* 111.800 3.000 PSU O4* C1* H1* 109.470 3.000 PSU O4* C1* C5 109.470 3.000 PSU O4* C1* C2* 109.470 3.000 PSU H1* C1* C5 109.470 3.000 PSU C5 C1* C2* 109.470 3.000 PSU C1* C5 C4 120.000 3.000 PSU C1* C5 C6 120.000 3.000 PSU C4 C5 C6 120.000 3.000 PSU C5 C4 O4 120.000 3.000 PSU C5 C4 N3 120.000 3.000 PSU O4 C4 N3 120.000 3.000 PSU C4 N3 HN3 120.000 3.000 PSU C4 N3 C2 120.000 3.000 PSU HN3 N3 C2 120.000 3.000 PSU N3 C2 O2 120.000 3.000 PSU N3 C2 N1 120.000 3.000 PSU O2 C2 N1 120.000 3.000 PSU C2 N1 HN1 120.000 3.000 PSU C2 N1 C6 120.000 3.000 PSU HN1 N1 C6 120.000 3.000 PSU N1 C6 H6 120.000 3.000 PSU N1 C6 C5 120.000 3.000 PSU H6 C6 C5 120.000 3.000 PSU C1* C2* H2* 108.340 3.000 PSU C1* C2* O2* 109.470 3.000 PSU C1* C2* C3* 111.000 3.000 PSU H2* C2* O2* 109.470 3.000 PSU H2* C2* C3* 108.340 3.000 PSU O2* C2* C3* 109.470 3.000 PSU C4* C3* H3* 108.340 3.000 PSU C4* C3* O3* 109.470 3.000 PSU C4* C3* C2* 111.000 3.000 PSU H3* C3* O3* 109.470 3.000 PSU H3* C3* C2* 108.340 3.000 PSU O3* C3* C2* 109.470 3.000 loop_ _chem_comp_tor.comp_id _chem_comp_tor.id _chem_comp_tor.atom_id_1 _chem_comp_tor.atom_id_2 _chem_comp_tor.atom_id_3 _chem_comp_tor.atom_id_4 _chem_comp_tor.value_angle _chem_comp_tor.value_angle_esd _chem_comp_tor.period PSU beta P O5* C5* C4* 137.000 20.000 1 PSU gamma O5* C5* C4* C3* 7.000 20.000 1 PSU nu4 C5* C4* O4* C1* 150.000 20.000 1 PSU nu0 C4* O4* C1* C2* 0.000 20.000 1 PSU chi O4* C1* C5 C4 -160.000 20.000 1 PSU CONST_01 C1* C5 C4 N3 180.000 0.000 0 PSU CONST_02 C5 C4 N3 C2 0.000 0.000 0 PSU CONST_03 C4 N3 C2 N1 0.000 0.000 0 PSU CONST_04 N3 C2 N1 C6 0.000 0.000 0 PSU CONST_05 C2 N1 C6 C5 0.000 0.000 0 PSU nu1 O4* C1* C2* O2* 90.000 20.000 1 PSU delta C5* C4* C3* O3* 80.000 20.000 1 loop_ _chem_comp_chir.comp_id _chem_comp_chir.id _chem_comp_chir.atom_id_centre _chem_comp_chir.atom_id_1 _chem_comp_chir.atom_id_2 _chem_comp_chir.atom_id_3 _chem_comp_chir.volume_sign PSU chir_01 C4* C5* O4* C3* negativ PSU chir_02 C3* C4* O3* C2* negativ PSU chir_03 C2* C3* O2* C1* negativ PSU chir_04 C1* O4* C2* C5 positiv loop_ _chem_comp_plane_atom.comp_id _chem_comp_plane_atom.plane_id _chem_comp_plane_atom.atom_id _chem_comp_plane_atom.dist_esd PSU plan1 N1 0.020 PSU plan1 C2 0.020 PSU plan1 N3 0.020 PSU plan1 C4 0.020 PSU plan1 C5 0.020 PSU plan1 C6 0.020 PSU plan1 O2 0.020 PSU plan1 O4 0.020 PSU plan1 C1* 0.020