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|
global_
_lib_name ?
_lib_version ?
_lib_update ?
# ------------------------------------------------
#
# --- LIST OF MONOMERS ---
#
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
2AA 2AA '"5'-O-{[({[2-({[5-(DIMETHYLAMINO)NAP' non-polymer 73 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_2AA
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
2AA O1 O O 0.000 0.000 0.000 0.000
2AA C1 C CR6 0.000 0.000 0.000 0.000
2AA N1 N NRD6 0.000 0.000 0.000 0.000
2AA C2 C CR6 0.000 0.000 0.000 0.000
2AA N2 N NH2 0.000 0.000 0.000 0.000
2AA HN22 H H 0.000 0.000 0.000 0.000
2AA HN21 H H 0.000 0.000 0.000 0.000
2AA C3 C CR16 0.000 0.000 0.000 0.000
2AA H3 H H 0.000 0.000 0.000 0.000
2AA C4 C CR16 0.000 0.000 0.000 0.000
2AA H4 H H 0.000 0.000 0.000 0.000
2AA N3 N NR6 0.000 0.000 0.000 0.000
2AA C5 C CH1 0.000 0.000 0.000 0.000
2AA H5 H H 0.000 0.000 0.000 0.000
2AA O2 O O2 0.000 0.000 0.000 0.000
2AA C6 C CH1 0.000 0.000 0.000 0.000
2AA H6 H H 0.000 0.000 0.000 0.000
2AA O3 O OH1 0.000 0.000 0.000 0.000
2AA HO3 H H 0.000 0.000 0.000 0.000
2AA C7 C CH1 0.000 0.000 0.000 0.000
2AA H7 H H 0.000 0.000 0.000 0.000
2AA O4 O OH1 0.000 0.000 0.000 0.000
2AA HO4 H H 0.000 0.000 0.000 0.000
2AA C8 C CH1 0.000 0.000 0.000 0.000
2AA H8 H H 0.000 0.000 0.000 0.000
2AA C14 C CH2 0.000 0.000 0.000 0.000
2AA H141 H H 0.000 0.000 0.000 0.000
2AA H142 H H 0.000 0.000 0.000 0.000
2AA O5 O O2 0.000 0.000 0.000 0.000
2AA P1 P P 0.000 0.000 0.000 0.000
2AA O7 O OP -0.500 0.000 0.000 0.000
2AA O6 O OP -0.500 0.000 0.000 0.000
2AA O8 O O2 0.000 0.000 0.000 0.000
2AA P2 P P 0.000 0.000 0.000 0.000
2AA "O1'" O OP -0.500 0.000 0.000 0.000
2AA O9 O OP -0.500 0.000 0.000 0.000
2AA "O2'" O O2 0.000 0.000 0.000 0.000
2AA C9 C CH2 0.000 0.000 0.000 0.000
2AA H91 H H 0.000 0.000 0.000 0.000
2AA H92 H H 0.000 0.000 0.000 0.000
2AA "C1'" C CH2 0.000 0.000 0.000 0.000
2AA "H1'1" H H 0.000 0.000 0.000 0.000
2AA "H1'2" H H 0.000 0.000 0.000 0.000
2AA N4 N NH1 0.000 0.000 0.000 0.000
2AA HN4 H H 0.000 0.000 0.000 0.000
2AA S1 S ST 0.000 0.000 0.000 0.000
2AA "O3'" O OS 0.000 0.000 0.000 0.000
2AA "O4'" O OS 0.000 0.000 0.000 0.000
2AA "C2'" C CR6 0.000 0.000 0.000 0.000
2AA "C7'" C CR66 0.000 0.000 0.000 0.000
2AA "C8'" C CR16 0.000 0.000 0.000 0.000
2AA "H8'" H H 0.000 0.000 0.000 0.000
2AA "C9'" C CR16 0.000 0.000 0.000 0.000
2AA "H9'" H H 0.000 0.000 0.000 0.000
2AA C10 C CR16 0.000 0.000 0.000 0.000
2AA H10 H H 0.000 0.000 0.000 0.000
2AA "C3'" C CR16 0.000 0.000 0.000 0.000
2AA "H3'" H H 0.000 0.000 0.000 0.000
2AA "C4'" C CR16 0.000 0.000 0.000 0.000
2AA "H4'" H H 0.000 0.000 0.000 0.000
2AA "C5'" C CR16 0.000 0.000 0.000 0.000
2AA "H5'" H H 0.000 0.000 0.000 0.000
2AA "C6'" C CR66 0.000 0.000 0.000 0.000
2AA C11 C CR6 0.000 0.000 0.000 0.000
2AA N5 N N 0.000 0.000 0.000 0.000
2AA C12 C CH3 0.000 0.000 0.000 0.000
2AA H123 H H 0.000 0.000 0.000 0.000
2AA H122 H H 0.000 0.000 0.000 0.000
2AA H121 H H 0.000 0.000 0.000 0.000
2AA C13 C CH3 0.000 0.000 0.000 0.000
2AA H133 H H 0.000 0.000 0.000 0.000
2AA H132 H H 0.000 0.000 0.000 0.000
2AA H131 H H 0.000 0.000 0.000 0.000
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
2AA O1 n/a C1 START
2AA C1 O1 N3 .
2AA N1 C1 C2 .
2AA C2 N1 C3 .
2AA N2 C2 HN21 .
2AA HN22 N2 . .
2AA HN21 N2 . .
2AA C3 C2 C4 .
2AA H3 C3 . .
2AA C4 C3 H4 .
2AA H4 C4 . .
2AA N3 C1 C5 .
2AA C5 N3 C6 .
2AA H5 C5 . .
2AA O2 C5 . .
2AA C6 C5 C7 .
2AA H6 C6 . .
2AA O3 C6 HO3 .
2AA HO3 O3 . .
2AA C7 C6 C8 .
2AA H7 C7 . .
2AA O4 C7 HO4 .
2AA HO4 O4 . .
2AA C8 C7 C14 .
2AA H8 C8 . .
2AA C14 C8 O5 .
2AA H141 C14 . .
2AA H142 C14 . .
2AA O5 C14 P1 .
2AA P1 O5 O8 .
2AA O7 P1 . .
2AA O6 P1 . .
2AA O8 P1 P2 .
2AA P2 O8 "O2'" .
2AA "O1'" P2 . .
2AA O9 P2 . .
2AA "O2'" P2 C9 .
2AA C9 "O2'" "C1'" .
2AA H91 C9 . .
2AA H92 C9 . .
2AA "C1'" C9 N4 .
2AA "H1'1" "C1'" . .
2AA "H1'2" "C1'" . .
2AA N4 "C1'" S1 .
2AA HN4 N4 . .
2AA S1 N4 "C2'" .
2AA "O3'" S1 . .
2AA "O4'" S1 . .
2AA "C2'" S1 "C3'" .
2AA "C7'" "C2'" "C8'" .
2AA "C8'" "C7'" "C9'" .
2AA "H8'" "C8'" . .
2AA "C9'" "C8'" C10 .
2AA "H9'" "C9'" . .
2AA C10 "C9'" H10 .
2AA H10 C10 . .
2AA "C3'" "C2'" "C4'" .
2AA "H3'" "C3'" . .
2AA "C4'" "C3'" "C5'" .
2AA "H4'" "C4'" . .
2AA "C5'" "C4'" "C6'" .
2AA "H5'" "C5'" . .
2AA "C6'" "C5'" C11 .
2AA C11 "C6'" N5 .
2AA N5 C11 C13 .
2AA C12 N5 H121 .
2AA H123 C12 . .
2AA H122 C12 . .
2AA H121 C12 . .
2AA C13 N5 H131 .
2AA H133 C13 . .
2AA H132 C13 . .
2AA H131 C13 . END
2AA C11 C10 . ADD
2AA "C7'" "C6'" . ADD
2AA C8 O2 . ADD
2AA N3 C4 . ADD
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
2AA C13 N5 single 1.455 0.020
2AA H131 C13 single 1.059 0.020
2AA H132 C13 single 1.059 0.020
2AA H133 C13 single 1.059 0.020
2AA C12 N5 single 1.455 0.020
2AA N5 C11 single 1.400 0.020
2AA H121 C12 single 1.059 0.020
2AA H122 C12 single 1.059 0.020
2AA H123 C12 single 1.059 0.020
2AA C11 C10 double 1.390 0.020
2AA C11 "C6'" single 1.490 0.020
2AA C10 "C9'" single 1.390 0.020
2AA H10 C10 single 1.083 0.020
2AA "C9'" "C8'" double 1.390 0.020
2AA "H9'" "C9'" single 1.083 0.020
2AA "C8'" "C7'" single 1.390 0.020
2AA "H8'" "C8'" single 1.083 0.020
2AA "C7'" "C6'" double 1.490 0.020
2AA "C7'" "C2'" single 1.490 0.020
2AA "C6'" "C5'" single 1.390 0.020
2AA "C5'" "C4'" double 1.390 0.020
2AA "H5'" "C5'" single 1.083 0.020
2AA "C4'" "C3'" single 1.390 0.020
2AA "H4'" "C4'" single 1.083 0.020
2AA "C3'" "C2'" double 1.390 0.020
2AA "H3'" "C3'" single 1.083 0.020
2AA "C2'" S1 single 1.595 0.020
2AA "O3'" S1 double 1.436 0.020
2AA "O4'" S1 double 1.436 0.020
2AA S1 N4 single 1.600 0.020
2AA N4 "C1'" single 1.450 0.020
2AA HN4 N4 single 1.010 0.020
2AA "C1'" C9 single 1.524 0.020
2AA "H1'1" "C1'" single 1.092 0.020
2AA "H1'2" "C1'" single 1.092 0.020
2AA C9 "O2'" single 1.426 0.020
2AA H91 C9 single 1.092 0.020
2AA H92 C9 single 1.092 0.020
2AA "O2'" P2 single 1.610 0.020
2AA "O1'" P2 deloc 1.510 0.020
2AA O9 P2 deloc 1.510 0.020
2AA P2 O8 single 1.610 0.020
2AA O8 P1 single 1.610 0.020
2AA O7 P1 deloc 1.510 0.020
2AA O6 P1 deloc 1.510 0.020
2AA P1 O5 single 1.610 0.020
2AA O5 C14 single 1.426 0.020
2AA C14 C8 single 1.524 0.020
2AA H141 C14 single 1.092 0.020
2AA H142 C14 single 1.092 0.020
2AA C8 O2 single 1.426 0.020
2AA C8 C7 single 1.524 0.020
2AA H8 C8 single 1.099 0.020
2AA O2 C5 single 1.426 0.020
2AA O4 C7 single 1.432 0.020
2AA C7 C6 single 1.524 0.020
2AA H7 C7 single 1.099 0.020
2AA HO4 O4 single 0.967 0.020
2AA O3 C6 single 1.432 0.020
2AA C6 C5 single 1.524 0.020
2AA H6 C6 single 1.099 0.020
2AA HO3 O3 single 0.967 0.020
2AA C5 N3 single 1.465 0.020
2AA H5 C5 single 1.099 0.020
2AA N3 C4 single 1.337 0.020
2AA N3 C1 single 1.410 0.020
2AA C4 C3 double 1.390 0.020
2AA H4 C4 single 1.083 0.020
2AA C3 C2 single 1.390 0.020
2AA H3 C3 single 1.083 0.020
2AA N2 C2 single 1.355 0.020
2AA C2 N1 double 1.350 0.020
2AA HN21 N2 single 1.010 0.020
2AA HN22 N2 single 1.010 0.020
2AA N1 C1 single 1.350 0.020
2AA C1 O1 double 1.250 0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
2AA O1 C1 N1 120.000 3.000
2AA O1 C1 N3 120.000 3.000
2AA N1 C1 N3 120.000 3.000
2AA C1 N1 C2 120.000 3.000
2AA N1 C2 N2 120.000 3.000
2AA N1 C2 C3 120.000 3.000
2AA N2 C2 C3 120.000 3.000
2AA C2 N2 HN22 120.000 3.000
2AA C2 N2 HN21 120.000 3.000
2AA HN22 N2 HN21 120.000 3.000
2AA C2 C3 H3 120.000 3.000
2AA C2 C3 C4 120.000 3.000
2AA H3 C3 C4 120.000 3.000
2AA C3 C4 H4 120.000 3.000
2AA C3 C4 N3 120.000 3.000
2AA H4 C4 N3 120.000 3.000
2AA C1 N3 C5 120.000 3.000
2AA C1 N3 C4 120.000 3.000
2AA C5 N3 C4 120.000 3.000
2AA N3 C5 H5 109.470 3.000
2AA N3 C5 O2 109.470 3.000
2AA N3 C5 C6 109.470 3.000
2AA H5 C5 O2 109.470 3.000
2AA H5 C5 C6 108.340 3.000
2AA O2 C5 C6 109.470 3.000
2AA C5 O2 C8 111.800 3.000
2AA C5 C6 H6 108.340 3.000
2AA C5 C6 O3 109.470 3.000
2AA C5 C6 C7 111.000 3.000
2AA H6 C6 O3 109.470 3.000
2AA H6 C6 C7 108.340 3.000
2AA O3 C6 C7 109.470 3.000
2AA C6 O3 HO3 109.470 3.000
2AA C6 C7 H7 108.340 3.000
2AA C6 C7 O4 109.470 3.000
2AA C6 C7 C8 111.000 3.000
2AA H7 C7 O4 109.470 3.000
2AA H7 C7 C8 108.340 3.000
2AA O4 C7 C8 109.470 3.000
2AA C7 O4 HO4 109.470 3.000
2AA C7 C8 H8 108.340 3.000
2AA C7 C8 C14 111.000 3.000
2AA C7 C8 O2 109.470 3.000
2AA H8 C8 C14 108.340 3.000
2AA H8 C8 O2 109.470 3.000
2AA C14 C8 O2 109.470 3.000
2AA C8 C14 H141 109.470 3.000
2AA C8 C14 H142 109.470 3.000
2AA C8 C14 O5 109.470 3.000
2AA H141 C14 H142 107.900 3.000
2AA H141 C14 O5 109.470 3.000
2AA H142 C14 O5 109.470 3.000
2AA C14 O5 P1 120.500 3.000
2AA O5 P1 O7 108.200 3.000
2AA O5 P1 O6 108.200 3.000
2AA O5 P1 O8 102.600 3.000
2AA O7 P1 O6 119.900 3.000
2AA O7 P1 O8 108.200 3.000
2AA O6 P1 O8 108.200 3.000
2AA P1 O8 P2 120.500 3.000
2AA O8 P2 "O1'" 108.200 3.000
2AA O8 P2 O9 108.200 3.000
2AA O8 P2 "O2'" 102.600 3.000
2AA "O1'" P2 O9 119.900 3.000
2AA "O1'" P2 "O2'" 108.200 3.000
2AA O9 P2 "O2'" 108.200 3.000
2AA P2 "O2'" C9 120.500 3.000
2AA "O2'" C9 H91 109.470 3.000
2AA "O2'" C9 H92 109.470 3.000
2AA "O2'" C9 "C1'" 109.470 3.000
2AA H91 C9 H92 107.900 3.000
2AA H91 C9 "C1'" 109.470 3.000
2AA H92 C9 "C1'" 109.470 3.000
2AA C9 "C1'" "H1'1" 109.470 3.000
2AA C9 "C1'" "H1'2" 109.470 3.000
2AA C9 "C1'" N4 112.000 3.000
2AA "H1'1" "C1'" "H1'2" 107.900 3.000
2AA "H1'1" "C1'" N4 109.470 3.000
2AA "H1'2" "C1'" N4 109.470 3.000
2AA "C1'" N4 HN4 118.500 3.000
2AA "C1'" N4 S1 120.000 3.000
2AA HN4 N4 S1 120.000 3.000
2AA N4 S1 "O3'" 109.500 3.000
2AA N4 S1 "O4'" 109.500 3.000
2AA N4 S1 "C2'" 109.500 3.000
2AA "O3'" S1 "O4'" 109.500 3.000
2AA "O3'" S1 "C2'" 109.500 3.000
2AA "O4'" S1 "C2'" 109.500 3.000
2AA S1 "C2'" "C7'" 120.000 3.000
2AA S1 "C2'" "C3'" 120.000 3.000
2AA "C7'" "C2'" "C3'" 120.000 3.000
2AA "C2'" "C7'" "C8'" 120.000 3.000
2AA "C2'" "C7'" "C6'" 120.000 3.000
2AA "C8'" "C7'" "C6'" 120.000 3.000
2AA "C7'" "C8'" "H8'" 120.000 3.000
2AA "C7'" "C8'" "C9'" 120.000 3.000
2AA "H8'" "C8'" "C9'" 120.000 3.000
2AA "C8'" "C9'" "H9'" 120.000 3.000
2AA "C8'" "C9'" C10 120.000 3.000
2AA "H9'" "C9'" C10 120.000 3.000
2AA "C9'" C10 H10 120.000 3.000
2AA "C9'" C10 C11 120.000 3.000
2AA H10 C10 C11 120.000 3.000
2AA "C2'" "C3'" "H3'" 120.000 3.000
2AA "C2'" "C3'" "C4'" 120.000 3.000
2AA "H3'" "C3'" "C4'" 120.000 3.000
2AA "C3'" "C4'" "H4'" 120.000 3.000
2AA "C3'" "C4'" "C5'" 120.000 3.000
2AA "H4'" "C4'" "C5'" 120.000 3.000
2AA "C4'" "C5'" "H5'" 120.000 3.000
2AA "C4'" "C5'" "C6'" 120.000 3.000
2AA "H5'" "C5'" "C6'" 120.000 3.000
2AA "C5'" "C6'" C11 120.000 3.000
2AA "C5'" "C6'" "C7'" 120.000 3.000
2AA C11 "C6'" "C7'" 120.000 3.000
2AA "C6'" C11 N5 120.000 3.000
2AA "C6'" C11 C10 120.000 3.000
2AA N5 C11 C10 120.000 3.000
2AA C11 N5 C12 120.000 3.000
2AA C11 N5 C13 120.000 3.000
2AA C12 N5 C13 120.000 3.000
2AA N5 C12 H123 109.470 3.000
2AA N5 C12 H122 109.470 3.000
2AA N5 C12 H121 109.470 3.000
2AA H123 C12 H122 109.470 3.000
2AA H123 C12 H121 109.470 3.000
2AA H122 C12 H121 109.470 3.000
2AA N5 C13 H133 109.470 3.000
2AA N5 C13 H132 109.470 3.000
2AA N5 C13 H131 109.470 3.000
2AA H133 C13 H132 109.470 3.000
2AA H133 C13 H131 109.470 3.000
2AA H132 C13 H131 109.470 3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
2AA CONST_1 O1 C1 N1 C2 0.000 0.000 0
2AA CONST_2 C1 N1 C2 C3 0.000 0.000 0
2AA CONST_3 N1 C2 N2 HN21 0.000 0.000 0
2AA CONST_4 N1 C2 C3 C4 0.000 0.000 0
2AA CONST_5 C2 C3 C4 N3 0.000 0.000 0
2AA CONST_6 O1 C1 N3 C5 0.000 0.000 0
2AA CONST_7 C1 N3 C4 C3 0.000 0.000 0
2AA var_1 C1 N3 C5 C6 0.000 20.000 1
2AA var_2 N3 C5 O2 C8 0.000 20.000 1
2AA var_3 N3 C5 C6 C7 0.000 20.000 3
2AA var_4 C5 C6 O3 HO3 0.000 20.000 1
2AA var_5 C5 C6 C7 C8 0.000 20.000 3
2AA var_6 C6 C7 O4 HO4 0.000 20.000 1
2AA var_7 C6 C7 C8 C14 0.000 20.000 3
2AA var_8 C7 C8 O2 C5 0.000 20.000 1
2AA var_9 C7 C8 C14 O5 0.000 20.000 3
2AA var_10 C8 C14 O5 P1 0.000 20.000 1
2AA var_11 C14 O5 P1 O8 0.000 20.000 1
2AA var_12 O5 P1 O8 P2 0.000 20.000 1
2AA var_13 P1 O8 P2 "O2'" 0.000 20.000 1
2AA var_14 O8 P2 "O2'" C9 0.000 20.000 1
2AA var_15 P2 "O2'" C9 "C1'" 0.000 20.000 1
2AA var_16 "O2'" C9 "C1'" N4 0.000 20.000 3
2AA var_17 C9 "C1'" N4 S1 0.000 20.000 3
2AA var_18 "C1'" N4 S1 "C2'" 0.000 20.000 1
2AA var_19 N4 S1 "C2'" "C3'" 0.000 20.000 1
2AA CONST_8 S1 "C2'" "C7'" "C8'" 0.000 0.000 0
2AA CONST_9 "C2'" "C7'" "C6'" "C5'" 0.000 0.000 0
2AA CONST_10 "C2'" "C7'" "C8'" "C9'" 0.000 0.000 0
2AA CONST_11 "C7'" "C8'" "C9'" C10 0.000 0.000 0
2AA CONST_12 "C8'" "C9'" C10 C11 0.000 0.000 0
2AA CONST_13 S1 "C2'" "C3'" "C4'" 0.000 0.000 0
2AA CONST_14 "C2'" "C3'" "C4'" "C5'" 0.000 0.000 0
2AA CONST_15 "C3'" "C4'" "C5'" "C6'" 0.000 0.000 0
2AA CONST_16 "C4'" "C5'" "C6'" C11 0.000 0.000 0
2AA CONST_17 "C5'" "C6'" C11 N5 0.000 0.000 0
2AA CONST_18 "C6'" C11 C10 "C9'" 0.000 0.000 0
2AA var_20 "C6'" C11 N5 C13 0.000 20.000 1
2AA var_21 C11 N5 C12 H121 0.000 20.000 1
2AA var_22 C11 N5 C13 H131 0.000 20.000 1
loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
2AA chir_01 S1 "C2'" "O3'" "O4'" positiv
2AA chir_02 C8 C14 O2 C7 positiv
2AA chir_03 C7 C8 O4 C6 positiv
2AA chir_04 C6 C7 O3 C5 positiv
2AA chir_05 C5 O2 C6 N3 positiv
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
2AA plan-1 N5 0.020
2AA plan-1 C13 0.020
2AA plan-1 C12 0.020
2AA plan-1 C11 0.020
2AA plan-2 C11 0.020
2AA plan-2 N5 0.020
2AA plan-2 C10 0.020
2AA plan-2 "C6'" 0.020
2AA plan-2 "C9'" 0.020
2AA plan-2 "C8'" 0.020
2AA plan-2 H10 0.020
2AA plan-2 "H9'" 0.020
2AA plan-2 "C7'" 0.020
2AA plan-2 "H8'" 0.020
2AA plan-2 "C2'" 0.020
2AA plan-2 "C5'" 0.020
2AA plan-2 "C4'" 0.020
2AA plan-2 "C3'" 0.020
2AA plan-2 "H5'" 0.020
2AA plan-2 "H4'" 0.020
2AA plan-2 "H3'" 0.020
2AA plan-2 S1 0.020
2AA plan-3 N4 0.020
2AA plan-3 S1 0.020
2AA plan-3 "C1'" 0.020
2AA plan-3 HN4 0.020
2AA plan-4 N3 0.020
2AA plan-4 C5 0.020
2AA plan-4 C4 0.020
2AA plan-4 C1 0.020
2AA plan-4 C3 0.020
2AA plan-4 C2 0.020
2AA plan-4 N1 0.020
2AA plan-4 H4 0.020
2AA plan-4 H3 0.020
2AA plan-4 N2 0.020
2AA plan-4 O1 0.020
2AA plan-4 HN22 0.020
2AA plan-4 HN21 0.020
2AA plan-5 N2 0.020
2AA plan-5 C2 0.020
2AA plan-5 HN21 0.020
2AA plan-5 HN22 0.020
# ------------------------------------------------------
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