# 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 RPX RPX 'C16-ETHOXY-RAPAMYCIN,IMMUNOSUPPRESSA' non-polymer 143 66 M # data_comp_RPX # 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 RPX C1 C . 0.000 RPX O1 O . 0.000 RPX O2 O . 0.000 RPX C2 C . 0.000 RPX C3 C . 0.000 RPX C4 C . 0.000 RPX C5 C . 0.000 RPX C6 C . 0.000 RPX N7 N . 0.000 RPX C8 C . 0.000 RPX O3 O . 0.000 RPX C9 C . 0.000 RPX O4 O . 0.000 RPX C10 C . 0.000 RPX O5 O . 0.000 RPX O6 O . 0.000 RPX C11 C . 0.000 RPX C12 C . 0.000 RPX C13 C . 0.000 RPX C14 C . 0.000 RPX C15 C . 0.000 RPX C16 C . 0.000 RPX O7 O . 0.000 RPX C17 C . 0.000 RPX C18 C . 0.000 RPX C19 C . 0.000 RPX C20 C . 0.000 RPX C21 C . 0.000 RPX C22 C . 0.000 RPX C23 C . 0.000 RPX C24 C . 0.000 RPX C25 C . 0.000 RPX C26 C . 0.000 RPX O8 O . 0.000 RPX C27 C . 0.000 RPX O9 O . 0.000 RPX C28 C . 0.000 RPX O10 O . 0.000 RPX C29 C . 0.000 RPX C30 C . 0.000 RPX C31 C . 0.000 RPX C32 C . 0.000 RPX O11 O . 0.000 RPX C33 C . 0.000 RPX C34 C . 0.000 RPX C35 C . 0.000 RPX C36 C . 0.000 RPX C37 C . 0.000 RPX C38 C . 0.000 RPX C39 C . 0.000 RPX O12 O . 0.000 RPX C40 C . 0.000 RPX O13 O . 0.000 RPX C41 C . 0.000 RPX C42 C . 0.000 RPX C43 C . 0.000 RPX C44 C . 0.000 RPX C45 C . 0.000 RPX C46 C . 0.000 RPX C47 C . 0.000 RPX C48 C . 0.000 RPX C49 C . 0.000 RPX C50 C . 0.000 RPX C51 C . 0.000 RPX C52 C . 0.000 RPX C53 C . 0.000 RPX H2 H . 0.000 RPX H31 H . 0.000 RPX H32 H . 0.000 RPX H41 H . 0.000 RPX H42 H . 0.000 RPX H51 H . 0.000 RPX H52 H . 0.000 RPX H61 H . 0.000 RPX H62 H . 0.000 RPX H11 H . 0.000 RPX H121 H . 0.000 RPX H122 H . 0.000 RPX H131 H . 0.000 RPX H132 H . 0.000 RPX H14 H . 0.000 RPX H151 H . 0.000 RPX H152 H . 0.000 RPX H16 H . 0.000 RPX H18 H . 0.000 RPX H19 H . 0.000 RPX H20 H . 0.000 RPX H21 H . 0.000 RPX H22 H . 0.000 RPX H23 H . 0.000 RPX H241 H . 0.000 RPX H242 H . 0.000 RPX H25 H . 0.000 RPX H27 H . 0.000 RPX H28 H . 0.000 RPX H29 H . 0.000 RPX H301 H . 0.000 RPX H302 H . 0.000 RPX H_31 H . 0.000 RPX H331 H . 0.000 RPX H332 H . 0.000 RPX H34 H . 0.000 RPX H35 H . 0.000 RPX H361 H . 0.000 RPX H362 H . 0.000 RPX H38 H . 0.000 RPX H_41 H . 0.000 RPX H_42 H . 0.000 RPX H431 H . 0.000 RPX H432 H . 0.000 RPX H433 H . 0.000 RPX H441 H . 0.000 RPX H442 H . 0.000 RPX H443 H . 0.000 RPX H451 H . 0.000 RPX H452 H . 0.000 RPX H453 H . 0.000 RPX H461 H . 0.000 RPX H462 H . 0.000 RPX H463 H . 0.000 RPX H471 H . 0.000 RPX H472 H . 0.000 RPX H473 H . 0.000 RPX H481 H . 0.000 RPX H482 H . 0.000 RPX H483 H . 0.000 RPX H491 H . 0.000 RPX H492 H . 0.000 RPX H493 H . 0.000 RPX H501 H . 0.000 RPX H502 H . 0.000 RPX H511 H . 0.000 RPX H512 H . 0.000 RPX H513 H . 0.000 RPX H521 H . 0.000 RPX H522 H . 0.000 RPX H523 H . 0.000 RPX H531 H . 0.000 RPX H532 H . 0.000 RPX H533 H . 0.000 RPX HO6 H . 0.000 RPX HO1 H . 0.000 RPX HO3 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 RPX C1 C2 single RPX C1 O1 single RPX C1 O2 double RPX O1 C34 single RPX C2 C3 single RPX C2 N7 single RPX C2 H2 single RPX C3 C4 single RPX C3 H31 single RPX C3 H32 single RPX C4 C5 single RPX C4 H41 single RPX C4 H42 single RPX C5 C6 single RPX C5 H51 single RPX C5 H52 single RPX C6 N7 single RPX C6 H61 single RPX C6 H62 single RPX N7 C8 single RPX C8 C9 single RPX C8 O3 double RPX C9 C10 single RPX C9 O4 double RPX C10 O5 single RPX C10 O6 single RPX C10 C11 single RPX O5 C14 single RPX O6 HO6 single RPX C11 C12 single RPX C11 C43 single RPX C11 H11 single RPX C12 C13 single RPX C12 H121 single RPX C12 H122 single RPX C13 C14 single RPX C13 H131 single RPX C13 H132 single RPX C14 C15 single RPX C14 H14 single RPX C15 C16 single RPX C15 H151 single RPX C15 H152 single RPX C16 C17 single RPX C16 O7 single RPX C16 H16 single RPX O7 C50 single RPX C17 C18 double RPX C17 C44 single RPX C18 C19 single RPX C18 H18 single RPX C19 C20 double RPX C19 H19 single RPX C20 C21 single RPX C20 H20 single RPX C21 C22 double RPX C21 H21 single RPX C22 C23 single RPX C22 H22 single RPX C23 C24 single RPX C23 C45 single RPX C23 H23 single RPX C24 C25 single RPX C24 H241 single RPX C24 H242 single RPX C25 C26 single RPX C25 C46 single RPX C25 H25 single RPX C26 C27 single RPX C26 O8 double RPX C27 C28 single RPX C27 O9 single RPX C27 H27 single RPX O9 C51 single RPX C28 C29 single RPX C28 O10 single RPX C28 H28 single RPX O10 HO1 single RPX C29 C30 single RPX C29 C47 single RPX C29 H29 single RPX C30 C31 single RPX C30 H301 single RPX C30 H302 single RPX C31 C32 single RPX C31 C48 single RPX C31 H_31 single RPX C32 C33 single RPX C32 O11 double RPX C33 C34 single RPX C33 H331 single RPX C33 H332 single RPX C34 C35 single RPX C34 H34 single RPX C35 C36 single RPX C35 C49 single RPX C35 H35 single RPX C36 C37 single RPX C36 H361 single RPX C36 H362 single RPX C37 C38 double RPX C37 C42 single RPX C38 C39 single RPX C38 H38 single RPX C39 C40 double RPX C39 O12 single RPX O12 C52 single RPX C40 C41 single RPX C40 O13 single RPX O13 HO3 single RPX C41 C42 double RPX C41 H_41 single RPX C42 H_42 single RPX C43 H431 single RPX C43 H432 single RPX C43 H433 single RPX C44 H441 single RPX C44 H442 single RPX C44 H443 single RPX C45 H451 single RPX C45 H452 single RPX C45 H453 single RPX C46 H461 single RPX C46 H462 single RPX C46 H463 single RPX C47 H471 single RPX C47 H472 single RPX C47 H473 single RPX C48 H481 single RPX C48 H482 single RPX C48 H483 single RPX C49 H491 single RPX C49 H492 single RPX C49 H493 single RPX C50 C53 single RPX C50 H501 single RPX C50 H502 single RPX C51 H511 single RPX C51 H512 single RPX C51 H513 single RPX C52 H521 single RPX C52 H522 single RPX C52 H523 single RPX C53 H531 single RPX C53 H532 single RPX C53 H533 single