#
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
PI2 PI2 '2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAM' non-polymer 68 32 M
#
data_comp_PI2
#
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
PI2 C1 C . 0.000
PI2 C2 C . 0.000
PI2 O3 O . 0.000
PI2 C4 C . 0.000
PI2 N5 N . 0.000
PI2 C6 C . 0.000
PI2 C7 C . 0.000
PI2 O8 O . 0.000
PI2 C9 C . 0.000
PI2 C10 C . 0.000
PI2 O11 O . 0.000
PI2 N12 N . 0.000
PI2 N13 N . 0.000
PI2 C14 C . 0.000
PI2 C15 C . 0.000
PI2 C16 C . 0.000
PI2 C17 C . 0.000
PI2 C18 C . 0.000
PI2 C19 C . 0.000
PI2 C20 C . 0.000
PI2 C21 C . 0.000
PI2 O22 O . 0.000
PI2 C23 C . 0.000
PI2 C24 C . 0.000
PI2 O25 O . 0.000
PI2 C26 C . 0.000
PI2 N27 N . 0.000
PI2 C28 C . 0.000
PI2 C29 C . 0.000
PI2 C30 C . 0.000
PI2 C31 C . 0.000
PI2 C32 C . 0.000
PI2 H11 H . 0.000
PI2 H12 H . 0.000
PI2 H41 H . 0.000
PI2 H42 H . 0.000
PI2 HN5 H . 0.000
PI2 H6 H . 0.000
PI2 H91 H . 0.000
PI2 H92 H . 0.000
PI2 H121 H . 0.000
PI2 H122 H . 0.000
PI2 H13 H . 0.000
PI2 H14 H . 0.000
PI2 H151 H . 0.000
PI2 H152 H . 0.000
PI2 H17 H . 0.000
PI2 H18 H . 0.000
PI2 H19 H . 0.000
PI2 H20 H . 0.000
PI2 H231 H . 0.000
PI2 H232 H . 0.000
PI2 H24 H . 0.000
PI2 H25 H . 0.000
PI2 H261 H . 0.000
PI2 H262 H . 0.000
PI2 H27 H . 0.000
PI2 H281 H . 0.000
PI2 H282 H . 0.000
PI2 H291 H . 0.000
PI2 H292 H . 0.000
PI2 H30 H . 0.000
PI2 H311 H . 0.000
PI2 H312 H . 0.000
PI2 H313 H . 0.000
PI2 H321 H . 0.000
PI2 H322 H . 0.000
PI2 H323 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
PI2 C1 C4 single
PI2 C1 C23 single
PI2 C1 H11 single
PI2 C1 H12 single
PI2 C2 O3 double
PI2 C2 C4 single
PI2 C2 N5 single
PI2 C4 H41 single
PI2 C4 H42 single
PI2 N5 C6 single
PI2 N5 HN5 single
PI2 C6 C7 single
PI2 C6 C9 single
PI2 C6 H6 single
PI2 C7 O8 double
PI2 C7 N13 single
PI2 C9 C10 single
PI2 C9 H91 single
PI2 C9 H92 single
PI2 C10 O11 double
PI2 C10 N12 single
PI2 N12 H121 single
PI2 N12 H122 single
PI2 N13 C14 single
PI2 N13 H13 single
PI2 C14 C15 single
PI2 C14 C24 single
PI2 C14 H14 single
PI2 C15 C16 single
PI2 C15 H151 single
PI2 C15 H152 single
PI2 C16 C17 single
PI2 C16 C19 double
PI2 C17 C18 double
PI2 C17 H17 single
PI2 C18 C21 single
PI2 C18 H18 single
PI2 C19 C20 single
PI2 C19 H19 single
PI2 C20 C21 double
PI2 C20 H20 single
PI2 C21 O22 single
PI2 O22 C23 single
PI2 C23 H231 single
PI2 C23 H232 single
PI2 C24 O25 single
PI2 C24 C26 single
PI2 C24 H24 single
PI2 O25 H25 single
PI2 C26 N27 single
PI2 C26 H261 single
PI2 C26 H262 single
PI2 N27 C28 single
PI2 N27 H27 single
PI2 C28 C29 single
PI2 C28 H281 single
PI2 C28 H282 single
PI2 C29 C30 single
PI2 C29 H291 single
PI2 C29 H292 single
PI2 C30 C31 single
PI2 C30 C32 single
PI2 C30 H30 single
PI2 C31 H311 single
PI2 C31 H312 single
PI2 C31 H313 single
PI2 C32 H321 single
PI2 C32 H322 single
PI2 C32 H323 single