# 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 TXL TXL 'TAXOTERE ' non-polymer 111 58 M # data_comp_TXL # 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 TXL C1 C . 0.000 TXL C2 C . 0.000 TXL C3 C . 0.000 TXL C4 C . 0.000 TXL C5 C . 0.000 TXL C6 C . 0.000 TXL C7 C . 0.000 TXL C8 C . 0.000 TXL C9 C . 0.000 TXL C10 C . 0.000 TXL C11 C . 0.000 TXL C12 C . 0.000 TXL C13 C . 0.000 TXL C14 C . 0.000 TXL C15 C . 0.000 TXL C16 C . 0.000 TXL C17 C . 0.000 TXL C18 C . 0.000 TXL C19 C . 0.000 TXL C20 C . 0.000 TXL O1 O . 0.000 TXL O2 O . 0.000 TXL O3 O . 0.000 TXL O4 O . 0.000 TXL O5 O . 0.000 TXL O6 O . 0.000 TXL O7 O . 0.000 TXL O8 O . 0.000 TXL C21 C . 0.000 TXL O9 O . 0.000 TXL C22 C . 0.000 TXL O10 O . 0.000 TXL C23 C . 0.000 TXL C24 C . 0.000 TXL C25 C . 0.000 TXL C26 C . 0.000 TXL C27 C . 0.000 TXL C28 C . 0.000 TXL C29 C . 0.000 TXL N1 N . 0.000 TXL C30 C . 0.000 TXL O11 O . 0.000 TXL O12 O . 0.000 TXL C31 C . 0.000 TXL C32 C . 0.000 TXL C33 C . 0.000 TXL C34 C . 0.000 TXL C35 C . 0.000 TXL O13 O . 0.000 TXL C36 C . 0.000 TXL C37 C . 0.000 TXL C38 C . 0.000 TXL C39 C . 0.000 TXL C40 C . 0.000 TXL C41 C . 0.000 TXL C42 C . 0.000 TXL O14 O . 0.000 TXL C43 C . 0.000 TXL H2 H . 0.000 TXL H3 H . 0.000 TXL H5 H . 0.000 TXL H61 H . 0.000 TXL H62 H . 0.000 TXL H7 H . 0.000 TXL H10 H . 0.000 TXL H13 H . 0.000 TXL H141 H . 0.000 TXL H142 H . 0.000 TXL H161 H . 0.000 TXL H162 H . 0.000 TXL H163 H . 0.000 TXL H171 H . 0.000 TXL H172 H . 0.000 TXL H173 H . 0.000 TXL H181 H . 0.000 TXL H182 H . 0.000 TXL H183 H . 0.000 TXL H191 H . 0.000 TXL H192 H . 0.000 TXL H193 H . 0.000 TXL H201 H . 0.000 TXL H202 H . 0.000 TXL HO1 H . 0.000 TXL HO5 H . 0.000 TXL HO7 H . 0.000 TXL HO0 H . 0.000 TXL H22 H . 0.000 TXL H23 H . 0.000 TXL H25 H . 0.000 TXL H26 H . 0.000 TXL H27 H . 0.000 TXL H28 H . 0.000 TXL H29 H . 0.000 TXL HN1 H . 0.000 TXL H321 H . 0.000 TXL H322 H . 0.000 TXL H323 H . 0.000 TXL H331 H . 0.000 TXL H332 H . 0.000 TXL H333 H . 0.000 TXL H341 H . 0.000 TXL H342 H . 0.000 TXL H343 H . 0.000 TXL H37 H . 0.000 TXL H38 H . 0.000 TXL H39 H . 0.000 TXL H40 H . 0.000 TXL H41 H . 0.000 TXL H431 H . 0.000 TXL H432 H . 0.000 TXL H433 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 TXL C1 C2 single TXL C1 C14 single TXL C1 C15 single TXL C1 O1 single TXL C2 C3 single TXL C2 O2 single TXL C2 H2 single TXL C3 C4 single TXL C3 C8 single TXL C3 H3 single TXL C4 C5 single TXL C4 C20 single TXL C4 O3 single TXL C5 C6 single TXL C5 O4 single TXL C5 H5 single TXL C6 C7 single TXL C6 H61 single TXL C6 H62 single TXL C7 C8 single TXL C7 O5 single TXL C7 H7 single TXL C8 C9 single TXL C8 C19 single TXL C9 C10 single TXL C9 O6 double TXL C10 C11 single TXL C10 O7 single TXL C10 H10 single TXL C11 C12 double TXL C11 C15 single TXL C12 C13 single TXL C12 C18 single TXL C13 C14 single TXL C13 O8 single TXL C13 H13 single TXL C14 H141 single TXL C14 H142 single TXL C15 C16 single TXL C15 C17 single TXL C16 H161 single TXL C16 H162 single TXL C16 H163 single TXL C17 H171 single TXL C17 H172 single TXL C17 H173 single TXL C18 H181 single TXL C18 H182 single TXL C18 H183 single TXL C19 H191 single TXL C19 H192 single TXL C19 H193 single TXL C20 O4 single TXL C20 H201 single TXL C20 H202 single TXL O1 HO1 single TXL O2 C35 single TXL O3 C42 single TXL O5 HO5 single TXL O7 HO7 single TXL O8 C21 single TXL C21 O9 double TXL C21 C22 single TXL C22 O10 single TXL C22 C23 single TXL C22 H22 single TXL O10 HO0 single TXL C23 C24 single TXL C23 N1 single TXL C23 H23 single TXL C24 C25 single TXL C24 C29 double TXL C25 C26 double TXL C25 H25 single TXL C26 C27 single TXL C26 H26 single TXL C27 C28 double TXL C27 H27 single TXL C28 C29 single TXL C28 H28 single TXL C29 H29 single TXL N1 C30 single TXL N1 HN1 single TXL C30 O11 double TXL C30 O12 single TXL O12 C31 single TXL C31 C32 single TXL C31 C33 single TXL C31 C34 single TXL C32 H321 single TXL C32 H322 single TXL C32 H323 single TXL C33 H331 single TXL C33 H332 single TXL C33 H333 single TXL C34 H341 single TXL C34 H342 single TXL C34 H343 single TXL C35 O13 double TXL C35 C36 single TXL C36 C37 double TXL C36 C41 single TXL C37 C38 single TXL C37 H37 single TXL C38 C39 double TXL C38 H38 single TXL C39 C40 single TXL C39 H39 single TXL C40 C41 double TXL C40 H40 single TXL C41 H41 single TXL C42 O14 double TXL C42 C43 single TXL C43 H431 single TXL C43 H432 single TXL C43 H433 single