# 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 XV6 XV6 '[4R-(4ALPHA,5ALPHA,6BETA,7BETA)]-3,3' non-polymer 92 54 M # data_comp_XV6 # 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 XV6 O1 O . 0.000 XV6 O4 O . 0.000 XV6 O5 O . 0.000 XV6 N2 N . 0.000 XV6 N7 N . 0.000 XV6 C1 C . 0.000 XV6 C2 C . 0.000 XV6 C3 C . 0.000 XV6 C4 C . 0.000 XV6 C5 C . 0.000 XV6 C6 C . 0.000 XV6 C7 C . 0.000 XV6 C31 C . 0.000 XV6 C32 C . 0.000 XV6 C33 C . 0.000 XV6 C34 C . 0.000 XV6 C35 C . 0.000 XV6 C36 C . 0.000 XV6 C37 C . 0.000 XV6 C61 C . 0.000 XV6 C62 C . 0.000 XV6 C63 C . 0.000 XV6 C64 C . 0.000 XV6 C65 C . 0.000 XV6 C66 C . 0.000 XV6 C67 C . 0.000 XV6 C20 C . 0.000 XV6 C21 C . 0.000 XV6 C22 C . 0.000 XV6 C23 C . 0.000 XV6 C24 C . 0.000 XV6 C25 C . 0.000 XV6 C26 C . 0.000 XV6 O26 O . 0.000 XV6 N26 N . 0.000 XV6 N27 N . 0.000 XV6 C27 C . 0.000 XV6 C28 C . 0.000 XV6 S29 S . 0.000 XV6 C29 C . 0.000 XV6 C70 C . 0.000 XV6 C71 C . 0.000 XV6 C72 C . 0.000 XV6 C73 C . 0.000 XV6 C74 C . 0.000 XV6 C75 C . 0.000 XV6 C76 C . 0.000 XV6 O76 O . 0.000 XV6 N76 N . 0.000 XV6 N77 N . 0.000 XV6 C77 C . 0.000 XV6 C78 C . 0.000 XV6 S79 S . 0.000 XV6 C79 C . 0.000 XV6 H281 H . 0.000 XV6 H291 H . 0.000 XV6 HN26 H . 0.000 XV6 H231 H . 0.000 XV6 H241 H . 0.000 XV6 H251 H . 0.000 XV6 H211 H . 0.000 XV6 H21 H . 0.000 XV6 H22 H . 0.000 XV6 H31 H . 0.000 XV6 H311 H . 0.000 XV6 H312 H . 0.000 XV6 H371 H . 0.000 XV6 H361 H . 0.000 XV6 H351 H . 0.000 XV6 H341 H . 0.000 XV6 H331 H . 0.000 XV6 H41 H . 0.000 XV6 HO41 H . 0.000 XV6 H51 H . 0.000 XV6 HO51 H . 0.000 XV6 H61 H . 0.000 XV6 H611 H . 0.000 XV6 H612 H . 0.000 XV6 H671 H . 0.000 XV6 H661 H . 0.000 XV6 H651 H . 0.000 XV6 H641 H . 0.000 XV6 H631 H . 0.000 XV6 H71 H . 0.000 XV6 H72 H . 0.000 XV6 H711 H . 0.000 XV6 H751 H . 0.000 XV6 H741 H . 0.000 XV6 H731 H . 0.000 XV6 HN76 H . 0.000 XV6 H781 H . 0.000 XV6 H791 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 XV6 O1 C1 double XV6 O4 C4 single XV6 O4 HO41 single XV6 O5 C5 single XV6 O5 HO51 single XV6 N2 C1 single XV6 N2 C2 single XV6 N2 C3 single XV6 N7 C1 single XV6 N7 C6 single XV6 N7 C7 single XV6 C2 C20 single XV6 C2 H21 single XV6 C2 H22 single XV6 C3 C4 single XV6 C3 C31 single XV6 C3 H31 single XV6 C4 C5 single XV6 C4 H41 single XV6 C5 C6 single XV6 C5 H51 single XV6 C6 C61 single XV6 C6 H61 single XV6 C7 C70 single XV6 C7 H71 single XV6 C7 H72 single XV6 C31 C32 single XV6 C31 H311 single XV6 C31 H312 single XV6 C32 C33 double XV6 C32 C37 single XV6 C33 C34 single XV6 C33 H331 single XV6 C34 C35 double XV6 C34 H341 single XV6 C35 C36 single XV6 C35 H351 single XV6 C36 C37 double XV6 C36 H361 single XV6 C37 H371 single XV6 C61 C62 single XV6 C61 H611 single XV6 C61 H612 single XV6 C62 C63 double XV6 C62 C67 single XV6 C63 C64 single XV6 C63 H631 single XV6 C64 C65 double XV6 C64 H641 single XV6 C65 C66 single XV6 C65 H651 single XV6 C66 C67 double XV6 C66 H661 single XV6 C67 H671 single XV6 C20 C21 double XV6 C20 C25 single XV6 C21 C22 single XV6 C21 H211 single XV6 C22 C23 double XV6 C22 C26 single XV6 C23 C24 single XV6 C23 H231 single XV6 C24 C25 double XV6 C24 H241 single XV6 C25 H251 single XV6 C26 O26 double XV6 C26 N26 single XV6 N26 C27 single XV6 N26 HN26 single XV6 N27 C27 double XV6 N27 C28 single XV6 C27 S29 single XV6 C28 C29 double XV6 C28 H281 single XV6 S29 C29 single XV6 C29 H291 single XV6 C70 C71 double XV6 C70 C75 single XV6 C71 C72 single XV6 C71 H711 single XV6 C72 C73 double XV6 C72 C76 single XV6 C73 C74 single XV6 C73 H731 single XV6 C74 C75 double XV6 C74 H741 single XV6 C75 H751 single XV6 C76 O76 double XV6 C76 N76 single XV6 N76 C77 single XV6 N76 HN76 single XV6 N77 C77 double XV6 N77 C78 single XV6 C77 S79 single XV6 C78 C79 double XV6 C78 H781 single XV6 S79 C79 single XV6 C79 H791 single