# 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 Cr C 'Cytidine ' RNA 31 20 . # data_comp_Cr # 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 Cr P P P 0.714 Cr O1P O OP -0.340 Cr O2P O OP -0.340 Cr O5* O OC2 -0.267 Cr C5* C CH2 0.066 Cr H5*1 H HCH2 0.005 Cr H5*2 H HCH2 0.005 Cr C4* C CH1 0.084 Cr H4* H HCH1 0.010 Cr O4* O O2 -0.193 Cr C1* C CH1 0.245 Cr H1* H HCH1 0.005 Cr N1 N NR6 -0.286 Cr C2 C CR6 0.469 Cr O2 O O -0.259 Cr N3 N NRD6 -0.395 Cr C4 C CR6 0.315 Cr N4 N NH2 -0.371 Cr H41 H HNH2 0.168 Cr H42 H HNH2 0.168 Cr C5 C CR16 -0.135 Cr H5 H HCR6 0.020 Cr C6 C CR16 0.168 Cr H6 H HCR6 0.020 Cr C2* C CH1 -0.043 Cr H2* H HCH1 0.010 Cr O2* O OH1 -0.256 Cr HO2* H HOH1 0.010 Cr C3* C CH1 0.081 Cr H3* H HCH1 0.005 Cr O3* O OC2 -0.267 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 Cr P n/a O5* START Cr O1P P . . Cr O2P P . . Cr O5* P C5* . Cr C5* O5* C4* . Cr H5*1 C5* . . Cr H5*2 C5* . . Cr C4* C5* C3* . Cr H4* C4* . . Cr O4* C4* C1* . Cr C1* O4* C2* . Cr H1* C1* . . Cr N1 C1* C2 . Cr C2 N1 N3 . Cr O2 C2 . . Cr N3 C2 C4 . Cr C4 N3 C5 . Cr N4 C4 H42 . Cr H41 N4 . . Cr H42 N4 . . Cr C5 C4 C6 . Cr H5 C5 . . Cr C6 C5 H6 . Cr H6 C6 . . Cr C2* C1* O2* . Cr H2* C2* . . Cr O2* C2* HO2* . Cr HO2* O2* . . Cr C3* C4* O3* . Cr H3* C3* . . Cr O3* C3* . END Cr C2* C3* . ADD Cr C6 N1 . 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 Cr P O5* coval 1.600 0.020 Cr P O1P coval 1.480 0.020 Cr P O2P coval 1.480 0.020 Cr C1* C2* coval 1.525 0.020 Cr C2* C3* coval 1.525 0.020 Cr C3* C4* coval 1.523 0.020 Cr C3* O3* coval 1.422 0.030 Cr C4* C5* coval 1.518 0.020 Cr C4* O4* coval 1.450 0.020 Cr O4* C1* coval 1.414 0.020 Cr C5* O5* coval 1.423 0.030 Cr C2* O2* coval 1.414 0.020 Cr C5* H5*1 coval 0.980 0.020 Cr C5* H5*2 coval 0.980 0.020 Cr C4* H4* coval 0.980 0.020 Cr C1* H1* coval 0.980 0.020 Cr C2* H2* coval 0.980 0.020 Cr O2* HO2* coval 0.980 0.020 Cr C3* H3* coval 0.980 0.020 Cr N1 C2 coval 1.399 0.020 Cr C2 N3 coval 1.356 0.020 Cr N3 C4 coval 1.334 0.020 Cr C4 C5 coval 1.426 0.020 Cr C5 C6 coval 1.337 0.020 Cr C6 N1 coval 1.364 0.020 Cr C2 O2 coval 1.237 0.020 Cr C4 N4 coval 1.337 0.020 Cr N1 C1* coval 1.490 0.030 Cr N4 H41 coval 0.980 0.020 Cr N4 H42 coval 0.980 0.020 Cr C5 H5 coval 0.980 0.020 Cr C6 H6 coval 0.980 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 Cr C6 N1 C2 120.600 3.000 Cr C1* N1 C2 119.700 3.000 Cr C1* N1 C6 119.700 3.000 Cr N1 C2 N3 118.900 3.000 Cr C2 N3 C4 120.000 3.000 Cr N3 C4 C5 121.800 3.000 Cr C4 C5 C6 117.600 3.000 Cr C5 C6 N1 121.000 3.000 Cr N1 C2 O2 119.200 3.000 Cr N3 C2 O2 121.900 3.000 Cr N3 C4 N4 117.900 3.000 Cr C5 C4 N4 120.300 3.000 Cr N1 C1* O4* 108.400 3.000 Cr N1 C1* C2* 113.500 3.000 Cr C4 N4 H41 120.000 3.000 Cr C4 N4 H42 120.000 3.000 Cr H41 N4 H42 120.000 3.000 Cr C4 C5 H5 121.200 3.000 Cr C6 C5 H5 121.200 3.000 Cr C5 C6 H6 119.500 3.000 Cr N1 C6 H6 119.500 3.000 Cr O4* C1* C2* 106.400 3.000 Cr C1* C2* C3* 101.600 3.000 Cr C2* C3* C4* 102.400 3.000 Cr C2* C3* O3* 111.500 3.000 Cr O3* C3* C4* 110.000 3.000 Cr C3* C4* C5* 114.900 3.000 Cr C3* C4* O4* 105.400 3.000 Cr O4* C4* C5* 109.400 3.000 Cr C4* O4* C1* 109.700 3.000 Cr C4* C5* O5* 110.800 3.000 Cr C5* O5* P 120.000 3.000 Cr O5* P O1P 109.000 3.000 Cr O1P P O2P 120.000 3.000 Cr O5* P O2P 108.000 3.000 Cr C1* C2* O2* 110.200 3.000 Cr O2* C2* C3* 112.400 3.000 Cr O5* C5* H5*1 109.000 3.000 Cr O5* C5* H5*2 109.000 3.000 Cr C4* C5* H5*1 109.000 3.000 Cr C4* C5* H5*2 109.000 3.000 Cr H5*1 C5* H5*2 109.000 3.000 Cr C5* C4* H4* 109.000 3.000 Cr O4* C4* H4* 109.000 3.000 Cr C3* C4* H4* 109.000 3.000 Cr O4* C1* H1* 109.000 3.000 Cr C2* C1* H1* 109.000 3.000 Cr N1 C1* H1* 109.000 3.000 Cr C1* C2* H2* 109.000 3.000 Cr O2* C2* H2* 109.000 3.000 Cr C2* O2* HO2* 109.000 3.000 Cr C4* C3* H3* 109.000 3.000 Cr C2* C3* H3* 109.000 3.000 Cr C3* C2* H2* 109.000 3.000 Cr O3* C3* H3* 109.000 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 Cr beta P O5* C5* C4* 170.000 25.000 3 Cr gamma O5* C5* C4* C3* 55.000 20.000 3 Cr delta C5* C4* C3* O3* 88.000 30.000 3 Cr nu0 C4* O4* C1* C2* 13.000 40.000 3 Cr nu1 O4* C1* C2* C3* -33.000 40.000 3 Cr nu4 C5* C4* O4* C1* 137.000 40.000 3 Cr chi O4* C1* N1 C2 30.000 40.000 2 Cr CONST_01 C1* N1 C2 N3 180.000 0.000 0 Cr CONST_02 N1 C2 N3 C4 0.000 0.000 0 Cr CONST_03 C2 N3 C4 C5 0.000 0.000 0 Cr hh1 N3 C4 N4 H42 0.000 40.000 2 Cr CONST_04 N3 C4 C5 C6 0.000 0.000 0 Cr CONST_05 C4 C5 C6 N1 0.000 0.000 0 Cr hh2 C1* C2* O2* HO2* 0.000 40.000 2 Cr dih_1 C1* C2* C3* C4* 37.053 10.000 1 Cr dih_2 C5* C4* C3* C2* -155.590 10.000 1 Cr dih_3 C1* O4* C4* C5* 144.260 10.000 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 Cr chir_01 C3* C2* O3* C4* positiv Cr chir_02 C4* C3* O4* C5* positiv Cr chir_03 C1* N1 O4* C2* positiv Cr chir_04 C2* C1* O2* C3* 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 Cr plan N1 0.020 Cr plan C2 0.020 Cr plan O2 0.020 Cr plan N3 0.020 Cr plan C4 0.020 Cr plan N4 0.020 Cr plan C5 0.020 Cr plan C6 0.020 Cr plan C1* 0.020