# 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 FKA FKA 'BENZYL-CARBAMIC ACID [8-DEETHYL-ASCO' non-polymer 143 67 M # data_comp_FKA # 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 FKA O1 O . 0.000 FKA C1 C . 0.000 FKA O2 O . 0.000 FKA C2 C . 0.000 FKA C3 C . 0.000 FKA C4 C . 0.000 FKA C5 C . 0.000 FKA C6 C . 0.000 FKA N1 N . 0.000 FKA C7 C . 0.000 FKA O3 O . 0.000 FKA C8 C . 0.000 FKA O4 O . 0.000 FKA C9 C . 0.000 FKA C10 C . 0.000 FKA C11 C . 0.000 FKA C12 C . 0.000 FKA C13 C . 0.000 FKA O5 O . 0.000 FKA O6 O . 0.000 FKA C34 C . 0.000 FKA O7 O . 0.000 FKA C42 C . 0.000 FKA C14 C . 0.000 FKA O8 O . 0.000 FKA C43 C . 0.000 FKA C15 C . 0.000 FKA C16 C . 0.000 FKA C35 C . 0.000 FKA C17 C . 0.000 FKA C18 C . 0.000 FKA C36 C . 0.000 FKA C19 C . 0.000 FKA C20 C . 0.000 FKA C37 C . 0.000 FKA C21 C . 0.000 FKA O9 O . 0.000 FKA C22 C . 0.000 FKA C23 C . 0.000 FKA O10 O . 0.000 FKA C24 C . 0.000 FKA C40 C . 0.000 FKA C25 C . 0.000 FKA C26 C . 0.000 FKA C41 C . 0.000 FKA C27 C . 0.000 FKA C28 C . 0.000 FKA C29 C . 0.000 FKA C30 C . 0.000 FKA C31 C . 0.000 FKA C32 C . 0.000 FKA C33 C . 0.000 FKA O11 O . 0.000 FKA C44 C . 0.000 FKA O12 O . 0.000 FKA C51 C . 0.000 FKA O17 O . 0.000 FKA C50 C . 0.000 FKA O23 O . 0.000 FKA N2 N . 0.000 FKA C49 C . 0.000 FKA C47 C . 0.000 FKA C46 C . 0.000 FKA C45 C . 0.000 FKA C39 C . 0.000 FKA C38 C . 0.000 FKA C48 C . 0.000 FKA H2 H . 0.000 FKA H31 H . 0.000 FKA H32 H . 0.000 FKA H41 H . 0.000 FKA H42 H . 0.000 FKA H51 H . 0.000 FKA H52 H . 0.000 FKA H61 H . 0.000 FKA H62 H . 0.000 FKA H10 H . 0.000 FKA H111 H . 0.000 FKA H112 H . 0.000 FKA H12 H . 0.000 FKA H13 H . 0.000 FKA HO6 H . 0.000 FKA H341 H . 0.000 FKA H342 H . 0.000 FKA H343 H . 0.000 FKA H421 H . 0.000 FKA H422 H . 0.000 FKA H423 H . 0.000 FKA H14 H . 0.000 FKA H431 H . 0.000 FKA H432 H . 0.000 FKA H433 H . 0.000 FKA H151 H . 0.000 FKA H152 H . 0.000 FKA H16 H . 0.000 FKA H351 H . 0.000 FKA H352 H . 0.000 FKA H353 H . 0.000 FKA H171 H . 0.000 FKA H172 H . 0.000 FKA H361 H . 0.000 FKA H362 H . 0.000 FKA H363 H . 0.000 FKA H19 H . 0.000 FKA H20 H . 0.000 FKA H371 H . 0.000 FKA H372 H . 0.000 FKA H221 H . 0.000 FKA H222 H . 0.000 FKA H23 H . 0.000 FKA HO0 H . 0.000 FKA H24 H . 0.000 FKA H401 H . 0.000 FKA H402 H . 0.000 FKA H403 H . 0.000 FKA H25 H . 0.000 FKA H411 H . 0.000 FKA H412 H . 0.000 FKA H413 H . 0.000 FKA H27 H . 0.000 FKA H28 H . 0.000 FKA H291 H . 0.000 FKA H292 H . 0.000 FKA H30 H . 0.000 FKA H_31 H . 0.000 FKA H321 H . 0.000 FKA H322 H . 0.000 FKA H331 H . 0.000 FKA H332 H . 0.000 FKA H441 H . 0.000 FKA H442 H . 0.000 FKA H443 H . 0.000 FKA HO2 H . 0.000 FKA H511 H . 0.000 FKA H512 H . 0.000 FKA HN2 H . 0.000 FKA H491 H . 0.000 FKA H492 H . 0.000 FKA H46 H . 0.000 FKA H45 H . 0.000 FKA H39 H . 0.000 FKA H38 H . 0.000 FKA H48 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 FKA O1 C1 single FKA O1 C25 single FKA C1 O2 double FKA C1 C2 single FKA C2 C3 single FKA C2 N1 single FKA C2 H2 single FKA C3 C4 single FKA C3 H31 single FKA C3 H32 single FKA C4 C5 single FKA C4 H41 single FKA C4 H42 single FKA C5 C6 single FKA C5 H51 single FKA C5 H52 single FKA C6 N1 single FKA C6 H61 single FKA C6 H62 single FKA N1 C7 single FKA C7 O3 double FKA C7 C8 single FKA C8 O4 double FKA C8 C9 single FKA C9 C10 single FKA C9 O5 single FKA C9 O6 single FKA C10 C11 single FKA C10 C34 single FKA C10 H10 single FKA C11 C12 single FKA C11 H111 single FKA C11 H112 single FKA C12 C13 single FKA C12 O7 single FKA C12 H12 single FKA C13 O5 single FKA C13 C14 single FKA C13 H13 single FKA O6 HO6 single FKA C34 H341 single FKA C34 H342 single FKA C34 H343 single FKA O7 C42 single FKA C42 H421 single FKA C42 H422 single FKA C42 H423 single FKA C14 O8 single FKA C14 C15 single FKA C14 H14 single FKA O8 C43 single FKA C43 H431 single FKA C43 H432 single FKA C43 H433 single FKA C15 C16 single FKA C15 H151 single FKA C15 H152 single FKA C16 C35 single FKA C16 C17 single FKA C16 H16 single FKA C35 H351 single FKA C35 H352 single FKA C35 H353 single FKA C17 C18 single FKA C17 H171 single FKA C17 H172 single FKA C18 C36 single FKA C18 C19 double FKA C36 H361 single FKA C36 H362 single FKA C36 H363 single FKA C19 C20 single FKA C19 H19 single FKA C20 C37 single FKA C20 C21 single FKA C20 H20 single FKA C37 C51 single FKA C37 H371 single FKA C37 H372 single FKA C21 O9 double FKA C21 C22 single FKA C22 C23 single FKA C22 H221 single FKA C22 H222 single FKA C23 O10 single FKA C23 C24 single FKA C23 H23 single FKA O10 HO0 single FKA C24 C40 single FKA C24 C25 single FKA C24 H24 single FKA C40 H401 single FKA C40 H402 single FKA C40 H403 single FKA C25 C26 single FKA C25 H25 single FKA C26 C41 single FKA C26 C27 double FKA C41 H411 single FKA C41 H412 single FKA C41 H413 single FKA C27 C28 single FKA C27 H27 single FKA C28 C29 single FKA C28 C33 single FKA C28 H28 single FKA C29 C30 single FKA C29 H291 single FKA C29 H292 single FKA C30 C31 single FKA C30 O11 single FKA C30 H30 single FKA C31 C32 single FKA C31 O12 single FKA C31 H_31 single FKA C32 C33 single FKA C32 H321 single FKA C32 H322 single FKA C33 H331 single FKA C33 H332 single FKA O11 C44 single FKA C44 H441 single FKA C44 H442 single FKA C44 H443 single FKA O12 HO2 single FKA C51 O17 single FKA C51 H511 single FKA C51 H512 single FKA O17 C50 single FKA C50 O23 double FKA C50 N2 single FKA N2 C49 single FKA N2 HN2 single FKA C49 C47 single FKA C49 H491 single FKA C49 H492 single FKA C47 C46 double FKA C47 C48 single FKA C46 C45 single FKA C46 H46 single FKA C45 C39 double FKA C45 H45 single FKA C39 C38 single FKA C39 H39 single FKA C38 C48 double FKA C38 H38 single FKA C48 H48 single