#
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
TPV TPV 'N-(3-{(1R)-1-[(6R)-4-HYDROXY-2-OXO-6' non-polymer 75 42 M
#
data_comp_TPV
#
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
TPV O1 O . 0.000
TPV C2 C . 0.000
TPV C3 C . 0.000
TPV C4 C . 0.000
TPV C5 C . 0.000
TPV C6 C . 0.000
TPV O7 O . 0.000
TPV O8 O . 0.000
TPV C9 C . 0.000
TPV C10 C . 0.000
TPV C11 C . 0.000
TPV C12 C . 0.000
TPV C13 C . 0.000
TPV C14 C . 0.000
TPV C15 C . 0.000
TPV C16 C . 0.000
TPV C17 C . 0.000
TPV C18 C . 0.000
TPV C19 C . 0.000
TPV C20 C . 0.000
TPV C21 C . 0.000
TPV C22 C . 0.000
TPV C23 C . 0.000
TPV C24 C . 0.000
TPV C25 C . 0.000
TPV C26 C . 0.000
TPV C27 C . 0.000
TPV N28 N . 0.000
TPV C29 C . 0.000
TPV S30 S . 0.000
TPV O31 O . 0.000
TPV O32 O . 0.000
TPV C33 C . 0.000
TPV N34 N . 0.000
TPV C35 C . 0.000
TPV C36 C . 0.000
TPV C37 C . 0.000
TPV C38 C . 0.000
TPV C39 C . 0.000
TPV F40 F . 0.000
TPV F41 F . 0.000
TPV F42 F . 0.000
TPV H171 H . 0.000
TPV H181 H . 0.000
TPV H191 H . 0.000
TPV H151 H . 0.000
TPV H161 H . 0.000
TPV H91 H . 0.000
TPV H101 H . 0.000
TPV H92 H . 0.000
TPV H102 H . 0.000
TPV H111 H . 0.000
TPV H112 H . 0.000
TPV H113 H . 0.000
TPV HO81 H . 0.000
TPV H201 H . 0.000
TPV H211 H . 0.000
TPV H212 H . 0.000
TPV H221 H . 0.000
TPV H222 H . 0.000
TPV H223 H . 0.000
TPV H241 H . 0.000
TPV H251 H . 0.000
TPV H261 H . 0.000
TPV H291 H . 0.000
TPV H281 H . 0.000
TPV H381 H . 0.000
TPV H371 H . 0.000
TPV H351 H . 0.000
TPV H131 H . 0.000
TPV H132 H . 0.000
TPV H121 H . 0.000
TPV H122 H . 0.000
TPV H51 H . 0.000
TPV H52 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
TPV O1 C2 single
TPV O1 C6 single
TPV C2 C3 single
TPV C2 O7 double
TPV C3 C4 double
TPV C3 C20 single
TPV C4 C5 single
TPV C4 O8 single
TPV C5 C6 single
TPV C5 H51 single
TPV C5 H52 single
TPV C6 C9 single
TPV C6 C12 single
TPV O8 HO81 single
TPV C9 C10 single
TPV C9 H91 single
TPV C9 H92 single
TPV C10 C11 single
TPV C10 H101 single
TPV C10 H102 single
TPV C11 H111 single
TPV C11 H112 single
TPV C11 H113 single
TPV C12 C13 single
TPV C12 H121 single
TPV C12 H122 single
TPV C13 C14 single
TPV C13 H131 single
TPV C13 H132 single
TPV C14 C15 double
TPV C14 C19 single
TPV C15 C16 single
TPV C15 H151 single
TPV C16 C17 double
TPV C16 H161 single
TPV C17 C18 single
TPV C17 H171 single
TPV C18 C19 double
TPV C18 H181 single
TPV C19 H191 single
TPV C20 C21 single
TPV C20 C23 single
TPV C20 H201 single
TPV C21 C22 single
TPV C21 H211 single
TPV C21 H212 single
TPV C22 H221 single
TPV C22 H222 single
TPV C22 H223 single
TPV C23 C24 double
TPV C23 C29 single
TPV C24 C25 single
TPV C24 H241 single
TPV C25 C26 double
TPV C25 H251 single
TPV C26 C27 single
TPV C26 H261 single
TPV C27 C29 double
TPV C27 N28 single
TPV N28 S30 single
TPV N28 H281 single
TPV C29 H291 single
TPV S30 O31 double
TPV S30 O32 double
TPV S30 C33 single
TPV C33 N34 double
TPV C33 C38 single
TPV N34 C35 single
TPV C35 C36 double
TPV C35 H351 single
TPV C36 C37 single
TPV C36 C39 single
TPV C37 C38 double
TPV C37 H371 single
TPV C38 H381 single
TPV C39 F40 single
TPV C39 F41 single
TPV C39 F42 single