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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
R2G R2G '2,5-anhydro-4-deoxy-D-erythro-pent-4' non-polymer 16 8 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_R2G
#
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
R2G "O5'" O OH1 0.000 0.000 0.000 0.000
R2G "HO5'" H H 0.000 0.734 0.009 0.630
R2G "C5'" C CH2 0.000 -1.222 -0.252 0.697
R2G "H5'" H H 0.000 -1.386 0.533 1.438
R2G "H5'A" H H 0.000 -1.160 -1.219 1.201
R2G "C4'" C CH1 0.000 -2.384 -0.267 -0.299
R2G "H4'" H H 0.000 -2.170 -0.939 -1.142
R2G "C3'" C CH1 0.000 -3.708 -0.661 0.401
R2G "H3'" H H 0.000 -3.513 -1.241 1.313
R2G "O3'" O OH1 0.000 -4.563 -1.380 -0.490
R2G "HO3'" H H 0.000 -5.419 -1.528 -0.065
R2G "C2'" C C1 0.000 -4.295 0.700 0.736
R2G "H2'" H H 0.000 -5.100 0.896 1.424
R2G "O4'" O O2 0.000 -2.681 1.064 -0.764
R2G "C1'" C C1 0.000 -3.639 1.595 0.030
R2G "H1'" H H 0.000 -3.844 2.651 0.079
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
R2G "O5'" n/a "C5'" START
R2G "HO5'" "O5'" . .
R2G "C5'" "O5'" "C4'" .
R2G "H5'" "C5'" . .
R2G "H5'A" "C5'" . .
R2G "C4'" "C5'" "O4'" .
R2G "H4'" "C4'" . .
R2G "C3'" "C4'" "C2'" .
R2G "H3'" "C3'" . .
R2G "O3'" "C3'" "HO3'" .
R2G "HO3'" "O3'" . .
R2G "C2'" "C3'" "H2'" .
R2G "H2'" "C2'" . .
R2G "O4'" "C4'" "C1'" .
R2G "C1'" "O4'" "H1'" .
R2G "H1'" "C1'" . END
R2G "C1'" "C2'" . 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
R2G "C1'" "C2'" double 1.330 0.020
R2G "C1'" "O4'" single 1.454 0.020
R2G "C2'" "C3'" single 1.510 0.020
R2G "O3'" "C3'" single 1.432 0.020
R2G "C3'" "C4'" single 1.524 0.020
R2G "O4'" "C4'" single 1.426 0.020
R2G "C4'" "C5'" single 1.524 0.020
R2G "C5'" "O5'" single 1.432 0.020
R2G "H1'" "C1'" single 1.077 0.020
R2G "H2'" "C2'" single 1.077 0.020
R2G "H3'" "C3'" single 1.099 0.020
R2G "HO3'" "O3'" single 0.967 0.020
R2G "H4'" "C4'" single 1.099 0.020
R2G "H5'" "C5'" single 1.092 0.020
R2G "H5'A" "C5'" single 1.092 0.020
R2G "HO5'" "O5'" single 0.967 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
R2G "HO5'" "O5'" "C5'" 109.470 3.000
R2G "O5'" "C5'" "H5'" 109.470 3.000
R2G "O5'" "C5'" "H5'A" 109.470 3.000
R2G "O5'" "C5'" "C4'" 109.470 3.000
R2G "H5'" "C5'" "H5'A" 107.900 3.000
R2G "H5'" "C5'" "C4'" 109.470 3.000
R2G "H5'A" "C5'" "C4'" 109.470 3.000
R2G "C5'" "C4'" "H4'" 108.340 3.000
R2G "C5'" "C4'" "C3'" 111.000 3.000
R2G "C5'" "C4'" "O4'" 109.470 3.000
R2G "H4'" "C4'" "C3'" 108.340 3.000
R2G "H4'" "C4'" "O4'" 109.470 3.000
R2G "C3'" "C4'" "O4'" 109.470 3.000
R2G "C4'" "C3'" "H3'" 108.340 3.000
R2G "C4'" "C3'" "O3'" 109.470 3.000
R2G "C4'" "C3'" "C2'" 109.470 3.000
R2G "H3'" "C3'" "O3'" 109.470 3.000
R2G "H3'" "C3'" "C2'" 108.810 3.000
R2G "O3'" "C3'" "C2'" 109.470 3.000
R2G "C3'" "O3'" "HO3'" 109.470 3.000
R2G "C3'" "C2'" "H2'" 120.000 3.000
R2G "C3'" "C2'" "C1'" 120.000 3.000
R2G "H2'" "C2'" "C1'" 120.000 3.000
R2G "C4'" "O4'" "C1'" 120.000 3.000
R2G "O4'" "C1'" "H1'" 120.000 3.000
R2G "O4'" "C1'" "C2'" 120.000 3.000
R2G "H1'" "C1'" "C2'" 120.000 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
R2G var_1 "HO5'" "O5'" "C5'" "C4'" -179.990 20.000 1
R2G var_2 "O5'" "C5'" "C4'" "O4'" -72.621 20.000 3
R2G var_3 "C5'" "C4'" "C3'" "C2'" 90.000 20.000 3
R2G var_4 "C4'" "C3'" "O3'" "HO3'" -173.716 20.000 1
R2G var_5 "C4'" "C3'" "C2'" "C1'" 30.000 20.000 1
R2G var_6 "C5'" "C4'" "O4'" "C1'" -90.000 20.000 1
R2G var_7 "C4'" "O4'" "C1'" "C2'" -30.000 20.000 1
R2G var_8 "O4'" "C1'" "C2'" "C3'" 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
R2G chir_01 "C3'" "C2'" "O3'" "C4'" negativ
R2G chir_02 "C4'" "C3'" "O4'" "C5'" negativ
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
R2G plan-1 "C1'" 0.020
R2G plan-1 "C2'" 0.020
R2G plan-1 "O4'" 0.020
R2G plan-1 "H1'" 0.020
R2G plan-1 "H2'" 0.020
R2G plan-2 "C2'" 0.020
R2G plan-2 "C1'" 0.020
R2G plan-2 "C3'" 0.020
R2G plan-2 "H2'" 0.020
R2G plan-2 "H1'" 0.020
# ------------------------------------------------------
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