# 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 UC1 UC1 '[4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)' non-polymer 40 22 M # data_comp_UC1 # 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 UC1 C2 C . 0.000 UC1 C4 C . 0.000 UC1 C5 C . 0.000 UC1 C6 C . 0.000 UC1 O7 O . 0.000 UC1 C8 C . 0.000 UC1 C9 C . 0.000 UC1 C10 C . 0.000 UC1 C11 C . 0.000 UC1 CA C . 0.000 UC1 C C . 0.000 UC1 S S . 0.000 UC1 N N . 0.000 UC1 C1 C . 0.000 UC1 C3 C . 0.000 UC1 CL CL . 0.000 UC1 OB O . 0.000 UC1 CC C . 0.000 UC1 CD C . 0.000 UC1 CE C . 0.000 UC1 CF C . 0.000 UC1 CG C . 0.000 UC1 H2 H . 0.000 UC1 H5 H . 0.000 UC1 H6 H . 0.000 UC1 H10 H . 0.000 UC1 H11 H . 0.000 UC1 HA1 H . 0.000 UC1 HA2 H . 0.000 UC1 HA3 H . 0.000 UC1 HN H . 0.000 UC1 HC1 H . 0.000 UC1 HC2 H . 0.000 UC1 HD H . 0.000 UC1 HF1 H . 0.000 UC1 HF2 H . 0.000 UC1 HF3 H . 0.000 UC1 HG1 H . 0.000 UC1 HG2 H . 0.000 UC1 HG3 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 UC1 C2 C1 double UC1 C2 C3 single UC1 C2 H2 single UC1 C4 C5 single UC1 C4 C3 double UC1 C4 CL single UC1 C5 C6 double UC1 C5 H5 single UC1 C6 C1 single UC1 C6 H6 single UC1 O7 C8 single UC1 O7 C11 single UC1 C8 C9 double UC1 C8 CA single UC1 C9 C10 single UC1 C9 C single UC1 C10 C11 double UC1 C10 H10 single UC1 C11 H11 single UC1 CA HA1 single UC1 CA HA2 single UC1 CA HA3 single UC1 C S double UC1 C N single UC1 N C1 single UC1 N HN single UC1 C3 OB single UC1 OB CC single UC1 CC CD single UC1 CC HC1 single UC1 CC HC2 single UC1 CD CE double UC1 CD HD single UC1 CE CF single UC1 CE CG single UC1 CF HF1 single UC1 CF HF2 single UC1 CF HF3 single UC1 CG HG1 single UC1 CG HG2 single UC1 CG HG3 single