# 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 15P 15P 'POLYETHYLENE GLYCOL (N=34) ' non-polymer 244 104 M # data_comp_15P # 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 15P OXT O . 0.000 15P C1 C . 0.000 15P C2 C . 0.000 15P O1 O . 0.000 15P C3 C . 0.000 15P C4 C . 0.000 15P O2 O . 0.000 15P C5 C . 0.000 15P C6 C . 0.000 15P O3 O . 0.000 15P C7 C . 0.000 15P C8 C . 0.000 15P O4 O . 0.000 15P C9 C . 0.000 15P C10 C . 0.000 15P O5 O . 0.000 15P C11 C . 0.000 15P C12 C . 0.000 15P O6 O . 0.000 15P C13 C . 0.000 15P C14 C . 0.000 15P O7 O . 0.000 15P C15 C . 0.000 15P C16 C . 0.000 15P O8 O . 0.000 15P C17 C . 0.000 15P C18 C . 0.000 15P O9 O . 0.000 15P C19 C . 0.000 15P C20 C . 0.000 15P O10 O . 0.000 15P C21 C . 0.000 15P C22 C . 0.000 15P O11 O . 0.000 15P C23 C . 0.000 15P C24 C . 0.000 15P O12 O . 0.000 15P C25 C . 0.000 15P C26 C . 0.000 15P O13 O . 0.000 15P C27 C . 0.000 15P C28 C . 0.000 15P O14 O . 0.000 15P C29 C . 0.000 15P C30 C . 0.000 15P O15 O . 0.000 15P C31 C . 0.000 15P C32 C . 0.000 15P O16 O . 0.000 15P C33 C . 0.000 15P C34 C . 0.000 15P O17 O . 0.000 15P C35 C . 0.000 15P C36 C . 0.000 15P O18 O . 0.000 15P C37 C . 0.000 15P C38 C . 0.000 15P O19 O . 0.000 15P C39 C . 0.000 15P C40 C . 0.000 15P O20 O . 0.000 15P C41 C . 0.000 15P C42 C . 0.000 15P O21 O . 0.000 15P C43 C . 0.000 15P C44 C . 0.000 15P O22 O . 0.000 15P C45 C . 0.000 15P C46 C . 0.000 15P O23 O . 0.000 15P C47 C . 0.000 15P C48 C . 0.000 15P O24 O . 0.000 15P C49 C . 0.000 15P C50 C . 0.000 15P O25 O . 0.000 15P C51 C . 0.000 15P C52 C . 0.000 15P O26 O . 0.000 15P C53 C . 0.000 15P C54 C . 0.000 15P O27 O . 0.000 15P C55 C . 0.000 15P C56 C . 0.000 15P O28 O . 0.000 15P C57 C . 0.000 15P C58 C . 0.000 15P O29 O . 0.000 15P C59 C . 0.000 15P C60 C . 0.000 15P O30 O . 0.000 15P C61 C . 0.000 15P C62 C . 0.000 15P O31 O . 0.000 15P C63 C . 0.000 15P C64 C . 0.000 15P O32 O . 0.000 15P C65 C . 0.000 15P C66 C . 0.000 15P O33 O . 0.000 15P C67 C . 0.000 15P C68 C . 0.000 15P O34 O . 0.000 15P CM C . 0.000 15P HXT H . 0.000 15P H11 H . 0.000 15P H21 H . 0.000 15P H12 H . 0.000 15P H22 H . 0.000 15P H13 H . 0.000 15P H23 H . 0.000 15P H14 H . 0.000 15P H24 H . 0.000 15P H15 H . 0.000 15P H25 H . 0.000 15P H16 H . 0.000 15P H26 H . 0.000 15P H17 H . 0.000 15P H27 H . 0.000 15P H18 H . 0.000 15P H28 H . 0.000 15P H19 H . 0.000 15P H29 H . 0.000 15P H101 H . 0.000 15P H102 H . 0.000 15P H111 H . 0.000 15P H112 H . 0.000 15P H121 H . 0.000 15P H122 H . 0.000 15P H131 H . 0.000 15P H132 H . 0.000 15P H141 H . 0.000 15P H142 H . 0.000 15P H151 H . 0.000 15P H152 H . 0.000 15P H161 H . 0.000 15P H162 H . 0.000 15P H171 H . 0.000 15P H172 H . 0.000 15P H181 H . 0.000 15P H182 H . 0.000 15P H191 H . 0.000 15P H192 H . 0.000 15P H201 H . 0.000 15P H202 H . 0.000 15P H211 H . 0.000 15P H212 H . 0.000 15P H221 H . 0.000 15P H222 H . 0.000 15P H231 H . 0.000 15P H232 H . 0.000 15P H241 H . 0.000 15P H242 H . 0.000 15P H251 H . 0.000 15P H252 H . 0.000 15P H261 H . 0.000 15P H262 H . 0.000 15P H271 H . 0.000 15P H272 H . 0.000 15P H281 H . 0.000 15P H282 H . 0.000 15P H291 H . 0.000 15P H292 H . 0.000 15P H301 H . 0.000 15P H302 H . 0.000 15P H311 H . 0.000 15P H312 H . 0.000 15P H321 H . 0.000 15P H322 H . 0.000 15P H331 H . 0.000 15P H332 H . 0.000 15P H341 H . 0.000 15P H342 H . 0.000 15P H351 H . 0.000 15P H352 H . 0.000 15P H361 H . 0.000 15P H362 H . 0.000 15P H371 H . 0.000 15P H372 H . 0.000 15P H381 H . 0.000 15P H382 H . 0.000 15P H391 H . 0.000 15P H392 H . 0.000 15P H401 H . 0.000 15P H402 H . 0.000 15P H411 H . 0.000 15P H412 H . 0.000 15P H421 H . 0.000 15P H422 H . 0.000 15P H431 H . 0.000 15P H432 H . 0.000 15P H441 H . 0.000 15P H442 H . 0.000 15P H451 H . 0.000 15P H452 H . 0.000 15P H461 H . 0.000 15P H462 H . 0.000 15P H471 H . 0.000 15P H472 H . 0.000 15P H481 H . 0.000 15P H482 H . 0.000 15P H491 H . 0.000 15P H492 H . 0.000 15P H501 H . 0.000 15P H502 H . 0.000 15P H511 H . 0.000 15P H512 H . 0.000 15P H521 H . 0.000 15P H522 H . 0.000 15P H531 H . 0.000 15P H532 H . 0.000 15P H541 H . 0.000 15P H542 H . 0.000 15P H551 H . 0.000 15P H552 H . 0.000 15P H561 H . 0.000 15P H562 H . 0.000 15P H571 H . 0.000 15P H572 H . 0.000 15P H581 H . 0.000 15P H582 H . 0.000 15P H591 H . 0.000 15P H592 H . 0.000 15P H601 H . 0.000 15P H602 H . 0.000 15P H611 H . 0.000 15P H612 H . 0.000 15P H621 H . 0.000 15P H622 H . 0.000 15P H631 H . 0.000 15P H632 H . 0.000 15P H641 H . 0.000 15P H642 H . 0.000 15P H651 H . 0.000 15P H652 H . 0.000 15P H661 H . 0.000 15P H662 H . 0.000 15P H671 H . 0.000 15P H672 H . 0.000 15P H681 H . 0.000 15P H682 H . 0.000 15P HCM1 H . 0.000 15P HCM2 H . 0.000 15P HCM3 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 15P OXT C1 single 15P OXT HXT single 15P C1 C2 single 15P C1 H11 single 15P C1 H21 single 15P C2 O1 single 15P C2 H12 single 15P C2 H22 single 15P O1 C3 single 15P C3 C4 single 15P C3 H13 single 15P C3 H23 single 15P C4 O2 single 15P C4 H14 single 15P C4 H24 single 15P O2 C5 single 15P C5 C6 single 15P C5 H15 single 15P C5 H25 single 15P C6 O3 single 15P C6 H16 single 15P C6 H26 single 15P O3 C7 single 15P C7 C8 single 15P C7 H17 single 15P C7 H27 single 15P C8 O4 single 15P C8 H18 single 15P C8 H28 single 15P O4 C9 single 15P C9 C10 single 15P C9 H19 single 15P C9 H29 single 15P C10 O5 single 15P C10 H101 single 15P C10 H102 single 15P O5 C11 single 15P C11 C12 single 15P C11 H111 single 15P C11 H112 single 15P C12 O6 single 15P C12 H121 single 15P C12 H122 single 15P O6 C13 single 15P C13 C14 single 15P C13 H131 single 15P C13 H132 single 15P C14 O7 single 15P C14 H141 single 15P C14 H142 single 15P O7 C15 single 15P C15 C16 single 15P C15 H151 single 15P C15 H152 single 15P C16 O8 single 15P C16 H161 single 15P C16 H162 single 15P O8 C17 single 15P C17 C18 single 15P C17 H171 single 15P C17 H172 single 15P C18 O9 single 15P C18 H181 single 15P C18 H182 single 15P O9 C19 single 15P C19 C20 single 15P C19 H191 single 15P C19 H192 single 15P C20 O10 single 15P C20 H201 single 15P C20 H202 single 15P O10 C21 single 15P C21 C22 single 15P C21 H211 single 15P C21 H212 single 15P C22 O11 single 15P C22 H221 single 15P C22 H222 single 15P O11 C23 single 15P C23 C24 single 15P C23 H231 single 15P C23 H232 single 15P C24 O12 single 15P C24 H241 single 15P C24 H242 single 15P O12 C25 single 15P C25 C26 single 15P C25 H251 single 15P C25 H252 single 15P C26 O13 single 15P C26 H261 single 15P C26 H262 single 15P O13 C27 single 15P C27 C28 single 15P C27 H271 single 15P C27 H272 single 15P C28 O14 single 15P C28 H281 single 15P C28 H282 single 15P O14 C29 single 15P C29 C30 single 15P C29 H291 single 15P C29 H292 single 15P C30 O15 single 15P C30 H301 single 15P C30 H302 single 15P O15 C31 single 15P C31 C32 single 15P C31 H311 single 15P C31 H312 single 15P C32 O16 single 15P C32 H321 single 15P C32 H322 single 15P O16 C33 single 15P C33 C34 single 15P C33 H331 single 15P C33 H332 single 15P C34 O17 single 15P C34 H341 single 15P C34 H342 single 15P O17 C35 single 15P C35 C36 single 15P C35 H351 single 15P C35 H352 single 15P C36 O18 single 15P C36 H361 single 15P C36 H362 single 15P O18 C37 single 15P C37 C38 single 15P C37 H371 single 15P C37 H372 single 15P C38 O19 single 15P C38 H381 single 15P C38 H382 single 15P O19 C39 single 15P C39 C40 single 15P C39 H391 single 15P C39 H392 single 15P C40 O20 single 15P C40 H401 single 15P C40 H402 single 15P O20 C41 single 15P C41 C42 single 15P C41 H411 single 15P C41 H412 single 15P C42 O21 single 15P C42 H421 single 15P C42 H422 single 15P O21 C43 single 15P C43 C44 single 15P C43 H431 single 15P C43 H432 single 15P C44 O22 single 15P C44 H441 single 15P C44 H442 single 15P O22 C45 single 15P C45 C46 single 15P C45 H451 single 15P C45 H452 single 15P C46 O23 single 15P C46 H461 single 15P C46 H462 single 15P O23 C47 single 15P C47 C48 single 15P C47 H471 single 15P C47 H472 single 15P C48 O24 single 15P C48 H481 single 15P C48 H482 single 15P O24 C49 single 15P C49 C50 single 15P C49 H491 single 15P C49 H492 single 15P C50 O25 single 15P C50 H501 single 15P C50 H502 single 15P O25 C51 single 15P C51 C52 single 15P C51 H511 single 15P C51 H512 single 15P C52 O26 single 15P C52 H521 single 15P C52 H522 single 15P O26 C53 single 15P C53 C54 single 15P C53 H531 single 15P C53 H532 single 15P C54 O27 single 15P C54 H541 single 15P C54 H542 single 15P O27 C55 single 15P C55 C56 single 15P C55 H551 single 15P C55 H552 single 15P C56 O28 single 15P C56 H561 single 15P C56 H562 single 15P O28 C57 single 15P C57 C58 single 15P C57 H571 single 15P C57 H572 single 15P C58 O29 single 15P C58 H581 single 15P C58 H582 single 15P O29 C59 single 15P C59 C60 single 15P C59 H591 single 15P C59 H592 single 15P C60 O30 single 15P C60 H601 single 15P C60 H602 single 15P O30 C61 single 15P C61 C62 single 15P C61 H611 single 15P C61 H612 single 15P C62 O31 single 15P C62 H621 single 15P C62 H622 single 15P O31 C63 single 15P C63 C64 single 15P C63 H631 single 15P C63 H632 single 15P C64 O32 single 15P C64 H641 single 15P C64 H642 single 15P O32 C65 single 15P C65 C66 single 15P C65 H651 single 15P C65 H652 single 15P C66 O33 single 15P C66 H661 single 15P C66 H662 single 15P O33 C67 single 15P C67 C68 single 15P C67 H671 single 15P C67 H672 single 15P C68 O34 single 15P C68 H681 single 15P C68 H682 single 15P O34 CM single 15P CM HCM1 single 15P CM HCM2 single 15P CM HCM3 single