# 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 RAD RAD 'C49-METHYL RAPAMYCIN ' non-polymer 147 66 M # data_comp_RAD # 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 RAD C1 C . 0.000 RAD O1 O . 0.000 RAD O2 O . 0.000 RAD C2 C . 0.000 RAD C3 C . 0.000 RAD C4 C . 0.000 RAD C5 C . 0.000 RAD C6 C . 0.000 RAD N7 N . 0.000 RAD C8 C . 0.000 RAD O3 O . 0.000 RAD C9 C . 0.000 RAD O4 O . 0.000 RAD C10 C . 0.000 RAD O5 O . 0.000 RAD O6 O . 0.000 RAD C11 C . 0.000 RAD C12 C . 0.000 RAD C13 C . 0.000 RAD C14 C . 0.000 RAD C15 C . 0.000 RAD C16 C . 0.000 RAD O7 O . 0.000 RAD C17 C . 0.000 RAD C18 C . 0.000 RAD C19 C . 0.000 RAD C20 C . 0.000 RAD C21 C . 0.000 RAD C22 C . 0.000 RAD C23 C . 0.000 RAD C24 C . 0.000 RAD C25 C . 0.000 RAD C26 C . 0.000 RAD O8 O . 0.000 RAD C27 C . 0.000 RAD O9 O . 0.000 RAD C28 C . 0.000 RAD O10 O . 0.000 RAD C29 C . 0.000 RAD C30 C . 0.000 RAD C31 C . 0.000 RAD C32 C . 0.000 RAD O11 O . 0.000 RAD C33 C . 0.000 RAD C34 C . 0.000 RAD C35 C . 0.000 RAD C36 C . 0.000 RAD C37 C . 0.000 RAD C38 C . 0.000 RAD C39 C . 0.000 RAD O12 O . 0.000 RAD C40 C . 0.000 RAD O13 O . 0.000 RAD C41 C . 0.000 RAD C42 C . 0.000 RAD C43 C . 0.000 RAD C44 C . 0.000 RAD C45 C . 0.000 RAD C46 C . 0.000 RAD C47 C . 0.000 RAD C48 C . 0.000 RAD C49 C . 0.000 RAD C50 C . 0.000 RAD C51 C . 0.000 RAD C52 C . 0.000 RAD C7 C . 0.000 RAD H2 H . 0.000 RAD H31 H . 0.000 RAD H32 H . 0.000 RAD H41 H . 0.000 RAD H42 H . 0.000 RAD H51 H . 0.000 RAD H52 H . 0.000 RAD H61 H . 0.000 RAD H62 H . 0.000 RAD H10 H . 0.000 RAD HO6 H . 0.000 RAD H111 H . 0.000 RAD H112 H . 0.000 RAD H121 H . 0.000 RAD H122 H . 0.000 RAD H13 H . 0.000 RAD H141 H . 0.000 RAD H142 H . 0.000 RAD H15 H . 0.000 RAD H17 H . 0.000 RAD H18 H . 0.000 RAD H19 H . 0.000 RAD H20 H . 0.000 RAD H21 H . 0.000 RAD H22 H . 0.000 RAD H231 H . 0.000 RAD H232 H . 0.000 RAD H24 H . 0.000 RAD H26 H . 0.000 RAD H27 H . 0.000 RAD HOA H . 0.000 RAD H29 H . 0.000 RAD H30 H . 0.000 RAD H321 H . 0.000 RAD H322 H . 0.000 RAD H33 H . 0.000 RAD H34 H . 0.000 RAD H351 H . 0.000 RAD H352 H . 0.000 RAD H36 H . 0.000 RAD H371 H . 0.000 RAD H372 H . 0.000 RAD H38 H . 0.000 RAD H39 H . 0.000 RAD H401 H . 0.000 RAD H402 H . 0.000 RAD HOD H . 0.000 RAD H411 H . 0.000 RAD H412 H . 0.000 RAD H421 H . 0.000 RAD H422 H . 0.000 RAD H423 H . 0.000 RAD H431 H . 0.000 RAD H432 H . 0.000 RAD H433 H . 0.000 RAD H441 H . 0.000 RAD H442 H . 0.000 RAD H443 H . 0.000 RAD H451 H . 0.000 RAD H452 H . 0.000 RAD H453 H . 0.000 RAD H461 H . 0.000 RAD H462 H . 0.000 RAD H463 H . 0.000 RAD H471 H . 0.000 RAD H472 H . 0.000 RAD H473 H . 0.000 RAD H481 H . 0.000 RAD H482 H . 0.000 RAD H483 H . 0.000 RAD H491 H . 0.000 RAD H492 H . 0.000 RAD H501 H . 0.000 RAD H502 H . 0.000 RAD H503 H . 0.000 RAD H511 H . 0.000 RAD H512 H . 0.000 RAD H513 H . 0.000 RAD H521 H . 0.000 RAD H522 H . 0.000 RAD H523 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 RAD C1 O1 single RAD C1 O2 double RAD C1 C2 single RAD O1 C33 single RAD C2 C3 single RAD C2 N7 single RAD C2 H2 single RAD C3 C4 single RAD C3 H31 single RAD C3 H32 single RAD C4 C5 single RAD C4 H41 single RAD C4 H42 single RAD C5 C6 single RAD C5 H51 single RAD C5 H52 single RAD C6 N7 single RAD C6 H61 single RAD C6 H62 single RAD N7 C7 single RAD C8 C9 single RAD C8 O4 double RAD C8 C7 single RAD O3 C7 double RAD C9 C10 single RAD C9 O5 single RAD C9 O6 single RAD C10 C11 single RAD C10 C42 single RAD C10 H10 single RAD O5 C13 single RAD O6 HO6 single RAD C11 C12 single RAD C11 H111 single RAD C11 H112 single RAD C12 C13 single RAD C12 H121 single RAD C12 H122 single RAD C13 C14 single RAD C13 H13 single RAD C14 C15 single RAD C14 H141 single RAD C14 H142 single RAD C15 C16 single RAD C15 O7 single RAD C15 H15 single RAD C16 C17 double RAD C16 C43 single RAD O7 C49 single RAD C17 C18 single RAD C17 H17 single RAD C18 C19 double RAD C18 H18 single RAD C19 C20 single RAD C19 H19 single RAD C20 C21 double RAD C20 H20 single RAD C21 C22 single RAD C21 H21 single RAD C22 C23 single RAD C22 C44 single RAD C22 H22 single RAD C23 C24 single RAD C23 H231 single RAD C23 H232 single RAD C24 C25 single RAD C24 C45 single RAD C24 H24 single RAD C25 C26 single RAD C25 O8 double RAD C26 C27 single RAD C26 O9 single RAD C26 H26 single RAD C27 C28 single RAD C27 O10 single RAD C27 H27 single RAD O9 C50 single RAD C28 C29 double RAD C28 C46 single RAD O10 HOA single RAD C29 C30 single RAD C29 H29 single RAD C30 C31 single RAD C30 C47 single RAD C30 H30 single RAD C31 C32 single RAD C31 O11 double RAD C32 C33 single RAD C32 H321 single RAD C32 H322 single RAD C33 C34 single RAD C33 H33 single RAD C34 C35 single RAD C34 C48 single RAD C34 H34 single RAD C35 C36 single RAD C35 H351 single RAD C35 H352 single RAD C36 C37 single RAD C36 C41 single RAD C36 H36 single RAD C37 C38 single RAD C37 H371 single RAD C37 H372 single RAD C38 C39 single RAD C38 O12 single RAD C38 H38 single RAD C39 C40 single RAD C39 O13 single RAD C39 H39 single RAD O12 C51 single RAD C40 C41 single RAD C40 H401 single RAD C40 H402 single RAD O13 HOD single RAD C41 H411 single RAD C41 H412 single RAD C42 H421 single RAD C42 H422 single RAD C42 H423 single RAD C43 H431 single RAD C43 H432 single RAD C43 H433 single RAD C44 H441 single RAD C44 H442 single RAD C44 H443 single RAD C45 H451 single RAD C45 H452 single RAD C45 H453 single RAD C46 H461 single RAD C46 H462 single RAD C46 H463 single RAD C47 H471 single RAD C47 H472 single RAD C47 H473 single RAD C48 H481 single RAD C48 H482 single RAD C48 H483 single RAD C49 C52 single RAD C49 H491 single RAD C49 H492 single RAD C50 H501 single RAD C50 H502 single RAD C50 H503 single RAD C51 H511 single RAD C51 H512 single RAD C51 H513 single RAD C52 H521 single RAD C52 H522 single RAD C52 H523 single