# 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 PH1 PH1 '1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADE' non-polymer 133 45 M # data_comp_PH1 # 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 PH1 O1 O . 0.000 PH1 C1 C . 0.000 PH1 C2 C . 0.000 PH1 C3 C . 0.000 PH1 C4 C . 0.000 PH1 C5 C . 0.000 PH1 C6 C . 0.000 PH1 C7 C . 0.000 PH1 C8 C . 0.000 PH1 C9 C . 0.000 PH1 C10 C . 0.000 PH1 C11 C . 0.000 PH1 C12 C . 0.000 PH1 C13 C . 0.000 PH1 C14 C . 0.000 PH1 C15 C . 0.000 PH1 C16 C . 0.000 PH1 C17 C . 0.000 PH1 C18 C . 0.000 PH1 C19 C . 0.000 PH1 C20 C . 0.000 PH1 O31 O . 0.000 PH1 C31 C . 0.000 PH1 C32 C . 0.000 PH1 C33 C . 0.000 PH1 C34 C . 0.000 PH1 C35 C . 0.000 PH1 C36 C . 0.000 PH1 C37 C . 0.000 PH1 C38 C . 0.000 PH1 C39 C . 0.000 PH1 C40 C . 0.000 PH1 C41 C . 0.000 PH1 C42 C . 0.000 PH1 C43 C . 0.000 PH1 C44 C . 0.000 PH1 C45 C . 0.000 PH1 C46 C . 0.000 PH1 C47 C . 0.000 PH1 C48 C . 0.000 PH1 C49 C . 0.000 PH1 C50 C . 0.000 PH1 C51 C . 0.000 PH1 C52 C . 0.000 PH1 C53 C . 0.000 PH1 H11 H . 0.000 PH1 H12 H . 0.000 PH1 H21 H . 0.000 PH1 H22 H . 0.000 PH1 H3 H . 0.000 PH1 H41 H . 0.000 PH1 H42 H . 0.000 PH1 H43 H . 0.000 PH1 H51 H . 0.000 PH1 H52 H . 0.000 PH1 H61 H . 0.000 PH1 H62 H . 0.000 PH1 H71 H . 0.000 PH1 H72 H . 0.000 PH1 H8 H . 0.000 PH1 H91 H . 0.000 PH1 H92 H . 0.000 PH1 H93 H . 0.000 PH1 H101 H . 0.000 PH1 H102 H . 0.000 PH1 H111 H . 0.000 PH1 H112 H . 0.000 PH1 H121 H . 0.000 PH1 H122 H . 0.000 PH1 H13 H . 0.000 PH1 H141 H . 0.000 PH1 H142 H . 0.000 PH1 H143 H . 0.000 PH1 H151 H . 0.000 PH1 H152 H . 0.000 PH1 H161 H . 0.000 PH1 H162 H . 0.000 PH1 H171 H . 0.000 PH1 H172 H . 0.000 PH1 H18 H . 0.000 PH1 H191 H . 0.000 PH1 H192 H . 0.000 PH1 H193 H . 0.000 PH1 H201 H . 0.000 PH1 H202 H . 0.000 PH1 H203 H . 0.000 PH1 H311 H . 0.000 PH1 H312 H . 0.000 PH1 H321 H . 0.000 PH1 H322 H . 0.000 PH1 H33 H . 0.000 PH1 H341 H . 0.000 PH1 H342 H . 0.000 PH1 H343 H . 0.000 PH1 H351 H . 0.000 PH1 H352 H . 0.000 PH1 H361 H . 0.000 PH1 H362 H . 0.000 PH1 H371 H . 0.000 PH1 H372 H . 0.000 PH1 H38 H . 0.000 PH1 H391 H . 0.000 PH1 H392 H . 0.000 PH1 H393 H . 0.000 PH1 H401 H . 0.000 PH1 H402 H . 0.000 PH1 H411 H . 0.000 PH1 H412 H . 0.000 PH1 H421 H . 0.000 PH1 H422 H . 0.000 PH1 H_43 H . 0.000 PH1 H441 H . 0.000 PH1 H442 H . 0.000 PH1 H443 H . 0.000 PH1 H451 H . 0.000 PH1 H452 H . 0.000 PH1 H461 H . 0.000 PH1 H462 H . 0.000 PH1 H471 H . 0.000 PH1 H472 H . 0.000 PH1 H48 H . 0.000 PH1 H491 H . 0.000 PH1 H492 H . 0.000 PH1 H493 H . 0.000 PH1 H501 H . 0.000 PH1 H502 H . 0.000 PH1 H503 H . 0.000 PH1 H511 H . 0.000 PH1 H512 H . 0.000 PH1 H_52 H . 0.000 PH1 H531 H . 0.000 PH1 H532 H . 0.000 PH1 H533 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 PH1 O1 C1 single PH1 O1 C51 single PH1 C1 C2 single PH1 C1 H11 single PH1 C1 H12 single PH1 C2 C3 single PH1 C2 H21 single PH1 C2 H22 single PH1 C3 C4 single PH1 C3 C5 single PH1 C3 H3 single PH1 C4 H41 single PH1 C4 H42 single PH1 C4 H43 single PH1 C5 C6 single PH1 C5 H51 single PH1 C5 H52 single PH1 C6 C7 single PH1 C6 H61 single PH1 C6 H62 single PH1 C7 C8 single PH1 C7 H71 single PH1 C7 H72 single PH1 C8 C9 single PH1 C8 C10 single PH1 C8 H8 single PH1 C9 H91 single PH1 C9 H92 single PH1 C9 H93 single PH1 C10 C11 single PH1 C10 H101 single PH1 C10 H102 single PH1 C11 C12 single PH1 C11 H111 single PH1 C11 H112 single PH1 C12 C13 single PH1 C12 H121 single PH1 C12 H122 single PH1 C13 C14 single PH1 C13 C15 single PH1 C13 H13 single PH1 C14 H141 single PH1 C14 H142 single PH1 C14 H143 single PH1 C15 C16 single PH1 C15 H151 single PH1 C15 H152 single PH1 C16 C17 single PH1 C16 H161 single PH1 C16 H162 single PH1 C17 C18 single PH1 C17 H171 single PH1 C17 H172 single PH1 C18 C19 single PH1 C18 C20 single PH1 C18 H18 single PH1 C19 H191 single PH1 C19 H192 single PH1 C19 H193 single PH1 C20 H201 single PH1 C20 H202 single PH1 C20 H203 single PH1 O31 C31 single PH1 O31 C52 single PH1 C31 C32 single PH1 C31 H311 single PH1 C31 H312 single PH1 C32 C33 single PH1 C32 H321 single PH1 C32 H322 single PH1 C33 C34 single PH1 C33 C35 single PH1 C33 H33 single PH1 C34 H341 single PH1 C34 H342 single PH1 C34 H343 single PH1 C35 C36 single PH1 C35 H351 single PH1 C35 H352 single PH1 C36 C37 single PH1 C36 H361 single PH1 C36 H362 single PH1 C37 C38 single PH1 C37 H371 single PH1 C37 H372 single PH1 C38 C39 single PH1 C38 C40 single PH1 C38 H38 single PH1 C39 H391 single PH1 C39 H392 single PH1 C39 H393 single PH1 C40 C41 single PH1 C40 H401 single PH1 C40 H402 single PH1 C41 C42 single PH1 C41 H411 single PH1 C41 H412 single PH1 C42 C43 single PH1 C42 H421 single PH1 C42 H422 single PH1 C43 C44 single PH1 C43 C45 single PH1 C43 H_43 single PH1 C44 H441 single PH1 C44 H442 single PH1 C44 H443 single PH1 C45 C46 single PH1 C45 H451 single PH1 C45 H452 single PH1 C46 C47 single PH1 C46 H461 single PH1 C46 H462 single PH1 C47 C48 single PH1 C47 H471 single PH1 C47 H472 single PH1 C48 C49 single PH1 C48 C50 single PH1 C48 H48 single PH1 C49 H491 single PH1 C49 H492 single PH1 C49 H493 single PH1 C50 H501 single PH1 C50 H502 single PH1 C50 H503 single PH1 C51 C52 single PH1 C51 H511 single PH1 C51 H512 single PH1 C52 C53 single PH1 C52 H_52 single PH1 C53 H531 single PH1 C53 H532 single PH1 C53 H533 single