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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
2BA 2BA '. ' non-polymer 66 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_2BA
#
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
2BA O2P1 O OP -0.500 0.000 0.000 0.000
2BA P1 P P 0.000 -1.467 -0.205 -0.067
2BA O1P1 O OP -0.500 -1.753 -1.603 -0.470
2BA "O3'" O O2 0.000 -2.114 0.081 1.380
2BA "C3'" C CH1 0.000 -3.369 -0.466 1.792
2BA "H3'" H H 0.000 -3.778 -1.122 1.011
2BA "C2'" C CH1 0.000 -3.205 -1.241 3.113
2BA "H2'" H H 0.000 -3.475 -2.297 2.972
2BA "O2'" O OH1 0.000 -1.864 -1.131 3.591
2BA "HO2'" H H 0.000 -1.776 -1.622 4.419
2BA "C1'" C CH1 0.000 -4.178 -0.568 4.092
2BA "H1'" H H 0.000 -3.613 -0.013 4.854
2BA N9 N NR5 0.000 -5.013 -1.585 4.738
2BA C4 C CR56 0.000 -4.683 -2.320 5.849
2BA N3 N NRD6 0.000 -3.631 -2.376 6.659
2BA C2 C CR16 0.000 -3.612 -3.209 7.678
2BA H2 H H 0.000 -2.737 -3.233 8.316
2BA N1 N NRD6 0.000 -4.620 -4.016 7.951
2BA C6 C CR6 0.000 -5.716 -4.028 7.200
2BA N6 N NH2 0.000 -6.767 -4.879 7.495
2BA HN6A H H 0.000 -6.714 -5.507 8.292
2BA HN6 H H 0.000 -7.603 -4.886 6.919
2BA C5 C CR56 0.000 -5.784 -3.156 6.101
2BA N7 N NRD5 0.000 -6.708 -2.899 5.144
2BA C8 C CR15 0.000 -6.257 -1.977 4.344
2BA H8 H H 0.000 -6.793 -1.579 3.490
2BA "O4'" O O2 0.000 -5.002 0.333 3.350
2BA "C4'" C CH1 0.000 -4.360 0.663 2.116
2BA "H4'" H H 0.000 -3.820 1.615 2.219
2BA "C5'" C CH2 0.000 -5.403 0.776 1.004
2BA "H5'A" H H 0.000 -6.187 1.472 1.310
2BA "H5'" H H 0.000 -5.842 -0.206 0.817
2BA "O5'" O O2 0.000 -4.776 1.255 -0.190
2BA "O5'1" O O2 0.000 -2.101 0.806 -1.148
2BA "C5'1" C CH2 0.000 -1.644 0.889 -2.499
2BA "HC5'" H H 0.000 -1.908 -0.029 -3.029
2BA HC5A H H 0.000 -0.559 1.014 -2.509
2BA "C4'1" C CH1 0.000 -2.303 2.085 -3.187
2BA "HC4'" H H 0.000 -2.174 2.985 -2.570
2BA "C3'1" C CH1 0.000 -3.799 1.809 -3.401
2BA "HC3'" H H 0.000 -4.009 0.735 -3.302
2BA "O3'1" O O2 0.000 -4.577 2.556 -2.465
2BA P P P 0.000 -5.599 1.872 -1.428
2BA O2P O OP -0.500 -6.552 2.892 -0.928
2BA O1P O OP -0.500 -6.348 0.790 -2.113
2BA "C2'1" C CH1 0.000 -4.087 2.284 -4.837
2BA "HC2'" H H 0.000 -4.516 1.464 -5.431
2BA "O2'1" O OH1 0.000 -4.976 3.403 -4.822
2BA HO2A H H 0.000 -5.148 3.689 -5.729
2BA "C1'1" C CH1 0.000 -2.721 2.694 -5.404
2BA "HC1'" H H 0.000 -2.687 3.785 -5.536
2BA "O4'1" O O2 0.000 -1.713 2.290 -4.474
2BA N91 N NR5 0.000 -2.500 2.032 -6.692
2BA C41 C CR56 0.000 -2.943 2.469 -7.914
2BA C51 C CR56 0.000 -2.493 1.522 -8.850
2BA N71 N NRD5 0.000 -1.820 0.569 -8.161
2BA C81 C CR15 0.000 -1.824 0.867 -6.894
2BA HC8 H H 0.000 -1.358 0.275 -6.115
2BA N31 N NRD6 0.000 -3.632 3.522 -8.342
2BA C21 C CR16 0.000 -3.903 3.672 -9.622
2BA HC2 H H 0.000 -4.473 4.538 -9.936
2BA N11 N NRD6 0.000 -3.506 2.806 -10.536
2BA C61 C CR6 0.000 -2.806 1.726 -10.204
2BA N61 N NH2 0.000 -2.395 0.823 -11.170
2BA H1NA H H 0.000 -2.623 0.974 -12.148
2BA H1N6 H H 0.000 -1.860 -0.001 -10.912
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
2BA O2P1 n/a P1 START
2BA P1 O2P1 "O5'1" .
2BA O1P1 P1 . .
2BA "O3'" P1 "C3'" .
2BA "C3'" "O3'" "C4'" .
2BA "H3'" "C3'" . .
2BA "C2'" "C3'" "C1'" .
2BA "H2'" "C2'" . .
2BA "O2'" "C2'" "HO2'" .
2BA "HO2'" "O2'" . .
2BA "C1'" "C2'" "O4'" .
2BA "H1'" "C1'" . .
2BA N9 "C1'" C4 .
2BA C4 N9 C5 .
2BA N3 C4 C2 .
2BA C2 N3 N1 .
2BA H2 C2 . .
2BA N1 C2 C6 .
2BA C6 N1 N6 .
2BA N6 C6 HN6 .
2BA HN6A N6 . .
2BA HN6 N6 . .
2BA C5 C4 N7 .
2BA N7 C5 C8 .
2BA C8 N7 H8 .
2BA H8 C8 . .
2BA "O4'" "C1'" . .
2BA "C4'" "C3'" "C5'" .
2BA "H4'" "C4'" . .
2BA "C5'" "C4'" "O5'" .
2BA "H5'A" "C5'" . .
2BA "H5'" "C5'" . .
2BA "O5'" "C5'" . .
2BA "O5'1" P1 "C5'1" .
2BA "C5'1" "O5'1" "C4'1" .
2BA "HC5'" "C5'1" . .
2BA HC5A "C5'1" . .
2BA "C4'1" "C5'1" "C3'1" .
2BA "HC4'" "C4'1" . .
2BA "C3'1" "C4'1" "C2'1" .
2BA "HC3'" "C3'1" . .
2BA "O3'1" "C3'1" P .
2BA P "O3'1" O1P .
2BA O2P P . .
2BA O1P P . .
2BA "C2'1" "C3'1" "C1'1" .
2BA "HC2'" "C2'1" . .
2BA "O2'1" "C2'1" HO2A .
2BA HO2A "O2'1" . .
2BA "C1'1" "C2'1" N91 .
2BA "HC1'" "C1'1" . .
2BA "O4'1" "C1'1" . .
2BA N91 "C1'1" C41 .
2BA C41 N91 N31 .
2BA C51 C41 N71 .
2BA N71 C51 C81 .
2BA C81 N71 HC8 .
2BA HC8 C81 . .
2BA N31 C41 C21 .
2BA C21 N31 N11 .
2BA HC2 C21 . .
2BA N11 C21 C61 .
2BA C61 N11 N61 .
2BA N61 C61 H1N6 .
2BA H1NA N61 . .
2BA H1N6 N61 . END
2BA P "O5'" . ADD
2BA "C4'" "O4'" . ADD
2BA N9 C8 . ADD
2BA C5 C6 . ADD
2BA "C4'1" "O4'1" . ADD
2BA N91 C81 . ADD
2BA C51 C61 . 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
2BA O1P P deloc 1.510 0.020
2BA O2P P deloc 1.510 0.020
2BA P "O5'" single 1.610 0.020
2BA P "O3'1" single 1.610 0.020
2BA "O5'" "C5'" single 1.426 0.020
2BA "C5'" "C4'" single 1.524 0.020
2BA "C4'" "O4'" single 1.426 0.020
2BA "C4'" "C3'" single 1.524 0.020
2BA "O4'" "C1'" single 1.426 0.020
2BA "C3'" "O3'" single 1.426 0.020
2BA "C2'" "C3'" single 1.524 0.020
2BA "O3'" P1 single 1.610 0.020
2BA "O2'" "C2'" single 1.432 0.020
2BA "C1'" "C2'" single 1.524 0.020
2BA N9 "C1'" single 1.485 0.020
2BA N9 C8 single 1.337 0.020
2BA C4 N9 single 1.337 0.020
2BA C8 N7 double 1.350 0.020
2BA N7 C5 single 1.350 0.020
2BA C5 C6 double 1.490 0.020
2BA C5 C4 single 1.490 0.020
2BA N6 C6 single 1.355 0.020
2BA C6 N1 single 1.350 0.020
2BA N1 C2 double 1.337 0.020
2BA C2 N3 single 1.337 0.020
2BA N3 C4 double 1.355 0.020
2BA O1P1 P1 deloc 1.510 0.020
2BA P1 O2P1 deloc 1.510 0.020
2BA "O5'1" P1 single 1.610 0.020
2BA "C5'1" "O5'1" single 1.426 0.020
2BA "C4'1" "C5'1" single 1.524 0.020
2BA "C4'1" "O4'1" single 1.426 0.020
2BA "C3'1" "C4'1" single 1.524 0.020
2BA "O4'1" "C1'1" single 1.426 0.020
2BA "O3'1" "C3'1" single 1.426 0.020
2BA "C2'1" "C3'1" single 1.524 0.020
2BA "O2'1" "C2'1" single 1.432 0.020
2BA "C1'1" "C2'1" single 1.524 0.020
2BA N91 "C1'1" single 1.485 0.020
2BA N91 C81 single 1.337 0.020
2BA C41 N91 single 1.337 0.020
2BA C81 N71 double 1.350 0.020
2BA N71 C51 single 1.350 0.020
2BA C51 C61 double 1.490 0.020
2BA C51 C41 single 1.490 0.020
2BA N61 C61 single 1.355 0.020
2BA C61 N11 single 1.350 0.020
2BA N11 C21 double 1.337 0.020
2BA C21 N31 single 1.337 0.020
2BA N31 C41 double 1.355 0.020
2BA "H5'" "C5'" single 1.092 0.020
2BA "H5'A" "C5'" single 1.092 0.020
2BA "H4'" "C4'" single 1.099 0.020
2BA "H3'" "C3'" single 1.099 0.020
2BA "H2'" "C2'" single 1.099 0.020
2BA "HO2'" "O2'" single 0.967 0.020
2BA "H1'" "C1'" single 1.099 0.020
2BA H8 C8 single 1.083 0.020
2BA HN6 N6 single 1.010 0.020
2BA HN6A N6 single 1.010 0.020
2BA H2 C2 single 1.083 0.020
2BA "HC5'" "C5'1" single 1.092 0.020
2BA HC5A "C5'1" single 1.092 0.020
2BA "HC4'" "C4'1" single 1.099 0.020
2BA "HC3'" "C3'1" single 1.099 0.020
2BA "HC2'" "C2'1" single 1.099 0.020
2BA HO2A "O2'1" single 0.967 0.020
2BA "HC1'" "C1'1" single 1.099 0.020
2BA HC8 C81 single 1.083 0.020
2BA H1N6 N61 single 1.010 0.020
2BA H1NA N61 single 1.010 0.020
2BA HC2 C21 single 1.083 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
2BA O2P1 P1 O1P1 119.900 3.000
2BA O2P1 P1 "O3'" 108.200 3.000
2BA O2P1 P1 "O5'1" 108.200 3.000
2BA O1P1 P1 "O3'" 108.200 3.000
2BA O1P1 P1 "O5'1" 108.200 3.000
2BA "O3'" P1 "O5'1" 102.600 3.000
2BA P1 "O3'" "C3'" 120.500 3.000
2BA "O3'" "C3'" "H3'" 109.470 3.000
2BA "O3'" "C3'" "C2'" 109.470 3.000
2BA "O3'" "C3'" "C4'" 109.470 3.000
2BA "H3'" "C3'" "C2'" 108.340 3.000
2BA "H3'" "C3'" "C4'" 108.340 3.000
2BA "C2'" "C3'" "C4'" 111.000 3.000
2BA "C3'" "C2'" "H2'" 108.340 3.000
2BA "C3'" "C2'" "O2'" 109.470 3.000
2BA "C3'" "C2'" "C1'" 111.000 3.000
2BA "H2'" "C2'" "O2'" 109.470 3.000
2BA "H2'" "C2'" "C1'" 108.340 3.000
2BA "O2'" "C2'" "C1'" 109.470 3.000
2BA "C2'" "O2'" "HO2'" 109.470 3.000
2BA "C2'" "C1'" "H1'" 108.340 3.000
2BA "C2'" "C1'" N9 109.470 3.000
2BA "C2'" "C1'" "O4'" 109.470 3.000
2BA "H1'" "C1'" N9 109.470 3.000
2BA "H1'" "C1'" "O4'" 109.470 3.000
2BA N9 "C1'" "O4'" 109.470 3.000
2BA "C1'" N9 C4 126.000 3.000
2BA "C1'" N9 C8 126.000 3.000
2BA C4 N9 C8 108.000 3.000
2BA N9 C4 N3 132.000 3.000
2BA N9 C4 C5 108.000 3.000
2BA N3 C4 C5 120.000 3.000
2BA C4 N3 C2 120.000 3.000
2BA N3 C2 H2 120.000 3.000
2BA N3 C2 N1 120.000 3.000
2BA H2 C2 N1 120.000 3.000
2BA C2 N1 C6 120.000 3.000
2BA N1 C6 N6 120.000 3.000
2BA N1 C6 C5 120.000 3.000
2BA N6 C6 C5 120.000 3.000
2BA C6 N6 HN6A 120.000 3.000
2BA C6 N6 HN6 120.000 3.000
2BA HN6A N6 HN6 120.000 3.000
2BA C4 C5 N7 108.000 3.000
2BA C4 C5 C6 120.000 3.000
2BA N7 C5 C6 132.000 3.000
2BA C5 N7 C8 108.000 3.000
2BA N7 C8 H8 126.000 3.000
2BA N7 C8 N9 108.000 3.000
2BA H8 C8 N9 126.000 3.000
2BA "C1'" "O4'" "C4'" 111.800 3.000
2BA "C3'" "C4'" "H4'" 108.340 3.000
2BA "C3'" "C4'" "C5'" 111.000 3.000
2BA "C3'" "C4'" "O4'" 109.470 3.000
2BA "H4'" "C4'" "C5'" 108.340 3.000
2BA "H4'" "C4'" "O4'" 109.470 3.000
2BA "C5'" "C4'" "O4'" 109.470 3.000
2BA "C4'" "C5'" "H5'A" 109.470 3.000
2BA "C4'" "C5'" "H5'" 109.470 3.000
2BA "C4'" "C5'" "O5'" 109.470 3.000
2BA "H5'A" "C5'" "H5'" 107.900 3.000
2BA "H5'A" "C5'" "O5'" 109.470 3.000
2BA "H5'" "C5'" "O5'" 109.470 3.000
2BA "C5'" "O5'" P 120.500 3.000
2BA P1 "O5'1" "C5'1" 120.500 3.000
2BA "O5'1" "C5'1" "HC5'" 109.470 3.000
2BA "O5'1" "C5'1" HC5A 109.470 3.000
2BA "O5'1" "C5'1" "C4'1" 109.470 3.000
2BA "HC5'" "C5'1" HC5A 107.900 3.000
2BA "HC5'" "C5'1" "C4'1" 109.470 3.000
2BA HC5A "C5'1" "C4'1" 109.470 3.000
2BA "C5'1" "C4'1" "HC4'" 108.340 3.000
2BA "C5'1" "C4'1" "C3'1" 111.000 3.000
2BA "C5'1" "C4'1" "O4'1" 109.470 3.000
2BA "HC4'" "C4'1" "C3'1" 108.340 3.000
2BA "HC4'" "C4'1" "O4'1" 109.470 3.000
2BA "C3'1" "C4'1" "O4'1" 109.470 3.000
2BA "C4'1" "C3'1" "HC3'" 108.340 3.000
2BA "C4'1" "C3'1" "O3'1" 109.470 3.000
2BA "C4'1" "C3'1" "C2'1" 111.000 3.000
2BA "HC3'" "C3'1" "O3'1" 109.470 3.000
2BA "HC3'" "C3'1" "C2'1" 108.340 3.000
2BA "O3'1" "C3'1" "C2'1" 109.470 3.000
2BA "C3'1" "O3'1" P 120.500 3.000
2BA "O3'1" P O2P 108.200 3.000
2BA "O3'1" P O1P 108.200 3.000
2BA "O3'1" P "O5'" 102.600 3.000
2BA O2P P O1P 119.900 3.000
2BA O2P P "O5'" 108.200 3.000
2BA O1P P "O5'" 108.200 3.000
2BA "C3'1" "C2'1" "HC2'" 108.340 3.000
2BA "C3'1" "C2'1" "O2'1" 109.470 3.000
2BA "C3'1" "C2'1" "C1'1" 111.000 3.000
2BA "HC2'" "C2'1" "O2'1" 109.470 3.000
2BA "HC2'" "C2'1" "C1'1" 108.340 3.000
2BA "O2'1" "C2'1" "C1'1" 109.470 3.000
2BA "C2'1" "O2'1" HO2A 109.470 3.000
2BA "C2'1" "C1'1" "HC1'" 108.340 3.000
2BA "C2'1" "C1'1" "O4'1" 109.470 3.000
2BA "C2'1" "C1'1" N91 109.470 3.000
2BA "HC1'" "C1'1" "O4'1" 109.470 3.000
2BA "HC1'" "C1'1" N91 109.470 3.000
2BA "O4'1" "C1'1" N91 109.470 3.000
2BA "C1'1" "O4'1" "C4'1" 111.800 3.000
2BA "C1'1" N91 C41 126.000 3.000
2BA "C1'1" N91 C81 126.000 3.000
2BA C41 N91 C81 108.000 3.000
2BA N91 C41 C51 108.000 3.000
2BA N91 C41 N31 132.000 3.000
2BA C51 C41 N31 120.000 3.000
2BA C41 C51 N71 108.000 3.000
2BA C41 C51 C61 120.000 3.000
2BA N71 C51 C61 132.000 3.000
2BA C51 N71 C81 108.000 3.000
2BA N71 C81 HC8 126.000 3.000
2BA N71 C81 N91 108.000 3.000
2BA HC8 C81 N91 126.000 3.000
2BA C41 N31 C21 120.000 3.000
2BA N31 C21 HC2 120.000 3.000
2BA N31 C21 N11 120.000 3.000
2BA HC2 C21 N11 120.000 3.000
2BA C21 N11 C61 120.000 3.000
2BA N11 C61 N61 120.000 3.000
2BA N11 C61 C51 120.000 3.000
2BA N61 C61 C51 120.000 3.000
2BA C61 N61 H1NA 120.000 3.000
2BA C61 N61 H1N6 120.000 3.000
2BA H1NA N61 H1N6 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
2BA var_1 O2P1 P1 "O3'" "C3'" -156.780 20.000 1
2BA var_2 P1 "O3'" "C3'" "C4'" -119.752 20.000 1
2BA var_3 "O3'" "C3'" "C2'" "C1'" 120.000 20.000 3
2BA var_4 "C3'" "C2'" "O2'" "HO2'" -179.963 20.000 1
2BA var_5 "C3'" "C2'" "C1'" "O4'" 0.000 20.000 3
2BA var_6 "C2'" "C1'" N9 C4 84.621 20.000 1
2BA CONST_1 "C1'" N9 C8 N7 180.000 0.000 0
2BA CONST_2 "C1'" N9 C4 C5 180.000 0.000 0
2BA CONST_3 N9 C4 N3 C2 180.000 0.000 0
2BA CONST_4 C4 N3 C2 N1 0.000 0.000 0
2BA CONST_5 N3 C2 N1 C6 0.000 0.000 0
2BA CONST_6 C2 N1 C6 N6 180.000 0.000 0
2BA CONST_7 N1 C6 N6 HN6 -179.954 0.000 0
2BA CONST_8 N9 C4 C5 N7 0.000 0.000 0
2BA CONST_9 C4 C5 C6 N1 0.000 0.000 0
2BA CONST_10 C4 C5 N7 C8 0.000 0.000 0
2BA CONST_11 C5 N7 C8 N9 0.000 0.000 0
2BA var_7 "C2'" "C1'" "O4'" "C4'" -30.000 20.000 1
2BA var_8 "O3'" "C3'" "C4'" "C5'" 120.000 20.000 3
2BA var_9 "C3'" "C4'" "O4'" "C1'" 30.000 20.000 1
2BA var_10 "C3'" "C4'" "C5'" "O5'" -68.457 20.000 3
2BA var_11 "C4'" "C5'" "O5'" P -162.859 20.000 1
2BA var_12 O2P1 P1 "O5'1" "C5'1" 54.042 20.000 1
2BA var_13 P1 "O5'1" "C5'1" "C4'1" -171.278 20.000 1
2BA var_14 "O5'1" "C5'1" "C4'1" "C3'1" -69.917 20.000 3
2BA var_15 "C5'1" "C4'1" "O4'1" "C1'1" 150.000 20.000 1
2BA var_16 "C5'1" "C4'1" "C3'1" "C2'1" -150.000 20.000 3
2BA var_17 "C4'1" "C3'1" "O3'1" P -121.998 20.000 1
2BA var_18 "C3'1" "O3'1" P O1P -41.567 20.000 1
2BA var_19 "O3'1" P "O5'" "C5'" 169.359 20.000 1
2BA var_20 "C4'1" "C3'1" "C2'1" "C1'1" 0.000 20.000 3
2BA var_21 "C3'1" "C2'1" "O2'1" HO2A -179.989 20.000 1
2BA var_22 "C3'1" "C2'1" "C1'1" N91 120.000 20.000 3
2BA var_23 "C2'1" "C1'1" "O4'1" "C4'1" -30.000 20.000 1
2BA var_24 "C2'1" "C1'1" N91 C41 84.473 20.000 1
2BA CONST_12 "C1'1" N91 C81 N71 180.000 0.000 0
2BA CONST_13 "C1'1" N91 C41 N31 0.000 0.000 0
2BA CONST_14 N91 C41 C51 N71 0.000 0.000 0
2BA CONST_15 C41 C51 C61 N11 0.000 0.000 0
2BA CONST_16 C41 C51 N71 C81 0.000 0.000 0
2BA CONST_17 C51 N71 C81 N91 0.000 0.000 0
2BA CONST_18 N91 C41 N31 C21 180.000 0.000 0
2BA CONST_19 C41 N31 C21 N11 0.000 0.000 0
2BA CONST_20 N31 C21 N11 C61 0.000 0.000 0
2BA CONST_21 C21 N11 C61 N61 180.000 0.000 0
2BA CONST_22 N11 C61 N61 H1N6 179.992 0.000 0
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
2BA chir_01 "C4'" "C5'" "O4'" "C3'" negativ
2BA chir_02 "C3'" "C4'" "O3'" "C2'" negativ
2BA chir_03 "C2'" "C3'" "O2'" "C1'" negativ
2BA chir_04 "C1'" "O4'" "C2'" N9 positiv
2BA chir_05 "C4'1" "C5'1" "O4'1" "C3'1" negativ
2BA chir_06 "C3'1" "C4'1" "O3'1" "C2'1" negativ
2BA chir_07 "C2'1" "C3'1" "O2'1" "C1'1" negativ
2BA chir_08 "C1'1" "O4'1" "C2'1" N91 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
2BA plan-1 N9 0.020
2BA plan-1 "C1'" 0.020
2BA plan-1 C8 0.020
2BA plan-1 C4 0.020
2BA plan-1 N7 0.020
2BA plan-1 H8 0.020
2BA plan-1 C5 0.020
2BA plan-1 C6 0.020
2BA plan-1 N1 0.020
2BA plan-1 C2 0.020
2BA plan-1 N3 0.020
2BA plan-1 N6 0.020
2BA plan-1 H2 0.020
2BA plan-1 HN6A 0.020
2BA plan-1 HN6 0.020
2BA plan-2 N6 0.020
2BA plan-2 C6 0.020
2BA plan-2 HN6 0.020
2BA plan-2 HN6A 0.020
2BA plan-3 N91 0.020
2BA plan-3 "C1'1" 0.020
2BA plan-3 C81 0.020
2BA plan-3 C41 0.020
2BA plan-3 N71 0.020
2BA plan-3 HC8 0.020
2BA plan-3 C51 0.020
2BA plan-3 C61 0.020
2BA plan-3 N11 0.020
2BA plan-3 C21 0.020
2BA plan-3 N31 0.020
2BA plan-3 N61 0.020
2BA plan-3 HC2 0.020
2BA plan-3 H1NA 0.020
2BA plan-3 H1N6 0.020
2BA plan-4 N61 0.020
2BA plan-4 C61 0.020
2BA plan-4 H1N6 0.020
2BA plan-4 H1NA 0.020
# ------------------------------------------------------
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