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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
DR2 DR2 '6-DEOXY-ALPHA-L-IDOPYRANOSYL-(1->2)-' non-polymer 71 36 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DR2
#
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
DR2 OAD O O 0.000 0.000 0.000 0.000
DR2 CBF C C 0.000 -0.380 -0.568 1.001
DR2 CAB C CH3 0.000 0.617 -1.014 2.040
DR2 HAB3 H H 0.000 1.302 -1.695 1.605
DR2 HAB2 H H 0.000 1.144 -0.172 2.409
DR2 HAB1 H H 0.000 0.108 -1.489 2.839
DR2 NAX N NH1 0.000 -1.694 -0.802 1.185
DR2 HAX H H 0.000 -2.011 -1.275 2.019
DR2 CBS C CH1 0.000 -2.664 -0.369 0.176
DR2 HBS H H 0.000 -2.329 0.575 -0.275
DR2 CBI C CH1 0.000 -2.787 -1.440 -0.911
DR2 HBI H H 0.000 -3.145 -2.376 -0.462
DR2 OAH O OH1 0.000 -1.508 -1.659 -1.510
DR2 HAH H H 0.000 -1.586 -2.335 -2.196
DR2 OBA O O2 0.000 -3.710 -1.010 -1.910
DR2 CBK C CH1 0.000 -5.007 -0.976 -1.317
DR2 HBK H H 0.000 -5.216 -1.944 -0.841
DR2 CAV C CH2 0.000 -6.054 -0.704 -2.398
DR2 HAV1 H H 0.000 -5.790 0.207 -2.939
DR2 HAV2 H H 0.000 -7.033 -0.579 -1.932
DR2 OAG O OH1 0.000 -6.095 -1.806 -3.308
DR2 HAG H H 0.000 -6.757 -1.633 -3.991
DR2 CBU C CH1 0.000 -5.064 0.132 -0.262
DR2 HBU H H 0.000 -4.834 1.099 -0.731
DR2 CBV C CH1 0.000 -4.033 -0.166 0.833
DR2 HBV H H 0.000 -4.322 -1.078 1.374
DR2 OAZ O OH1 0.000 -3.972 0.933 1.745
DR2 HAZ H H 0.000 -3.322 0.744 2.435
DR2 "O1'" O O2 0.000 -6.372 0.176 0.312
DR2 "C1'" C CH1 0.000 -7.035 1.307 -0.259
DR2 "H1'" H H 0.000 -6.923 1.281 -1.352
DR2 "C2'" C CH1 0.000 -8.522 1.262 0.101
DR2 "H2'" H H 0.000 -8.638 1.309 1.192
DR2 "C3'" C CH1 0.000 -9.229 2.460 -0.542
DR2 "H3'" H H 0.000 -9.206 2.358 -1.636
DR2 "O3'" O OH1 0.000 -10.585 2.514 -0.093
DR2 H2 H H 0.000 -11.029 3.270 -0.500
DR2 "C4'" C CH1 0.000 -8.497 3.742 -0.128
DR2 "H4'" H H 0.000 -8.920 4.598 -0.671
DR2 "O4'" O OH1 0.000 -8.646 3.945 1.277
DR2 H1 H H 0.000 -8.183 4.754 1.536
DR2 "C5'" C CH1 0.000 -7.012 3.600 -0.473
DR2 "H5'" H H 0.000 -6.903 3.421 -1.552
DR2 "C6'" C CH2 0.000 -6.277 4.887 -0.094
DR2 "H6'1" H H 0.000 -6.313 5.021 0.989
DR2 "H6'2" H H 0.000 -6.759 5.738 -0.580
DR2 "O6'" O OH1 0.000 -4.916 4.802 -0.520
DR2 "H6'" H H 0.000 -4.453 5.616 -0.279
DR2 "O5'" O O2 0.000 -6.451 2.505 0.248
DR2 "O2'" O O2 0.000 -9.096 0.048 -0.389
DR2 CBQ C CH1 0.000 -10.093 -0.347 0.554
DR2 HBQ H H 0.000 -10.705 0.525 0.824
DR2 CBO C CH1 0.000 -10.986 -1.421 -0.072
DR2 HBO H H 0.000 -11.740 -1.745 0.660
DR2 OAL O OH1 0.000 -11.637 -0.889 -1.227
DR2 HAL H H 0.000 -12.179 -0.131 -0.970
DR2 CBN C CH1 0.000 -10.117 -2.618 -0.476
DR2 HBN H H 0.000 -9.433 -2.321 -1.283
DR2 OAK O OH1 0.000 -10.952 -3.687 -0.925
DR2 HAK H H 0.000 -11.470 -3.392 -1.687
DR2 CBL C CH1 0.000 -9.308 -3.071 0.744
DR2 HBL H H 0.000 -8.597 -3.853 0.444
DR2 OAI O OH1 0.000 -10.194 -3.587 1.741
DR2 HAI H H 0.000 -9.683 -3.873 2.510
DR2 CBH C CH1 0.000 -8.542 -1.872 1.307
DR2 HBH H H 0.000 -7.880 -1.464 0.531
DR2 OBB O O2 0.000 -9.462 -0.864 1.724
DR2 CAC C CH3 0.000 -7.704 -2.321 2.506
DR2 HAC3 H H 0.000 -7.089 -3.136 2.223
DR2 HAC2 H H 0.000 -7.095 -1.518 2.835
DR2 HAC1 H H 0.000 -8.345 -2.622 3.295
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
DR2 OAD n/a CBF START
DR2 CBF OAD NAX .
DR2 CAB CBF HAB1 .
DR2 HAB3 CAB . .
DR2 HAB2 CAB . .
DR2 HAB1 CAB . .
DR2 NAX CBF CBS .
DR2 HAX NAX . .
DR2 CBS NAX CBI .
DR2 HBS CBS . .
DR2 CBI CBS OBA .
DR2 HBI CBI . .
DR2 OAH CBI HAH .
DR2 HAH OAH . .
DR2 OBA CBI CBK .
DR2 CBK OBA CBU .
DR2 HBK CBK . .
DR2 CAV CBK OAG .
DR2 HAV1 CAV . .
DR2 HAV2 CAV . .
DR2 OAG CAV HAG .
DR2 HAG OAG . .
DR2 CBU CBK "O1'" .
DR2 HBU CBU . .
DR2 CBV CBU OAZ .
DR2 HBV CBV . .
DR2 OAZ CBV HAZ .
DR2 HAZ OAZ . .
DR2 "O1'" CBU "C1'" .
DR2 "C1'" "O1'" "C2'" .
DR2 "H1'" "C1'" . .
DR2 "C2'" "C1'" "O2'" .
DR2 "H2'" "C2'" . .
DR2 "C3'" "C2'" "C4'" .
DR2 "H3'" "C3'" . .
DR2 "O3'" "C3'" H2 .
DR2 H2 "O3'" . .
DR2 "C4'" "C3'" "C5'" .
DR2 "H4'" "C4'" . .
DR2 "O4'" "C4'" H1 .
DR2 H1 "O4'" . .
DR2 "C5'" "C4'" "O5'" .
DR2 "H5'" "C5'" . .
DR2 "C6'" "C5'" "O6'" .
DR2 "H6'1" "C6'" . .
DR2 "H6'2" "C6'" . .
DR2 "O6'" "C6'" "H6'" .
DR2 "H6'" "O6'" . .
DR2 "O5'" "C5'" . .
DR2 "O2'" "C2'" CBQ .
DR2 CBQ "O2'" CBO .
DR2 HBQ CBQ . .
DR2 CBO CBQ CBN .
DR2 HBO CBO . .
DR2 OAL CBO HAL .
DR2 HAL OAL . .
DR2 CBN CBO CBL .
DR2 HBN CBN . .
DR2 OAK CBN HAK .
DR2 HAK OAK . .
DR2 CBL CBN CBH .
DR2 HBL CBL . .
DR2 OAI CBL HAI .
DR2 HAI OAI . .
DR2 CBH CBL CAC .
DR2 HBH CBH . .
DR2 OBB CBH . .
DR2 CAC CBH HAC1 .
DR2 HAC3 CAC . .
DR2 HAC2 CAC . .
DR2 HAC1 CAC . END
DR2 CBV CBS . ADD
DR2 "C1'" "O5'" . ADD
DR2 CBQ OBB . 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
DR2 OAZ CBV single 1.432 0.020
DR2 HAZ OAZ single 0.967 0.020
DR2 CBV CBS single 1.524 0.020
DR2 CBV CBU single 1.524 0.020
DR2 HBV CBV single 1.099 0.020
DR2 CBS NAX single 1.450 0.020
DR2 CBI CBS single 1.524 0.020
DR2 HBS CBS single 1.099 0.020
DR2 NAX CBF single 1.330 0.020
DR2 HAX NAX single 1.010 0.020
DR2 CAB CBF single 1.500 0.020
DR2 CBF OAD double 1.220 0.020
DR2 HAB1 CAB single 1.059 0.020
DR2 HAB2 CAB single 1.059 0.020
DR2 HAB3 CAB single 1.059 0.020
DR2 OAH CBI single 1.432 0.020
DR2 OBA CBI single 1.426 0.020
DR2 HBI CBI single 1.099 0.020
DR2 HAH OAH single 0.967 0.020
DR2 CBK OBA single 1.426 0.020
DR2 CAV CBK single 1.524 0.020
DR2 CBU CBK single 1.524 0.020
DR2 HBK CBK single 1.099 0.020
DR2 OAG CAV single 1.432 0.020
DR2 HAV1 CAV single 1.092 0.020
DR2 HAV2 CAV single 1.092 0.020
DR2 HAG OAG single 0.967 0.020
DR2 "O1'" CBU single 1.426 0.020
DR2 HBU CBU single 1.099 0.020
DR2 "C1'" "O1'" single 1.426 0.020
DR2 "C1'" "O5'" single 1.426 0.020
DR2 "C2'" "C1'" single 1.524 0.020
DR2 "H1'" "C1'" single 1.099 0.020
DR2 "O5'" "C5'" single 1.426 0.020
DR2 "C6'" "C5'" single 1.524 0.020
DR2 "C5'" "C4'" single 1.524 0.020
DR2 "H5'" "C5'" single 1.099 0.020
DR2 "O6'" "C6'" single 1.432 0.020
DR2 "H6'1" "C6'" single 1.092 0.020
DR2 "H6'2" "C6'" single 1.092 0.020
DR2 "H6'" "O6'" single 0.967 0.020
DR2 "O4'" "C4'" single 1.432 0.020
DR2 "C4'" "C3'" single 1.524 0.020
DR2 "H4'" "C4'" single 1.099 0.020
DR2 H1 "O4'" single 0.967 0.020
DR2 "O3'" "C3'" single 1.432 0.020
DR2 "C3'" "C2'" single 1.524 0.020
DR2 "H3'" "C3'" single 1.099 0.020
DR2 H2 "O3'" single 0.967 0.020
DR2 "O2'" "C2'" single 1.426 0.020
DR2 "H2'" "C2'" single 1.099 0.020
DR2 CBQ "O2'" single 1.426 0.020
DR2 CBQ OBB single 1.426 0.020
DR2 CBO CBQ single 1.524 0.020
DR2 HBQ CBQ single 1.099 0.020
DR2 OBB CBH single 1.426 0.020
DR2 CAC CBH single 1.524 0.020
DR2 CBH CBL single 1.524 0.020
DR2 HBH CBH single 1.099 0.020
DR2 HAC1 CAC single 1.059 0.020
DR2 HAC2 CAC single 1.059 0.020
DR2 HAC3 CAC single 1.059 0.020
DR2 OAI CBL single 1.432 0.020
DR2 CBL CBN single 1.524 0.020
DR2 HBL CBL single 1.099 0.020
DR2 HAI OAI single 0.967 0.020
DR2 OAK CBN single 1.432 0.020
DR2 CBN CBO single 1.524 0.020
DR2 HBN CBN single 1.099 0.020
DR2 HAK OAK single 0.967 0.020
DR2 OAL CBO single 1.432 0.020
DR2 HBO CBO single 1.099 0.020
DR2 HAL OAL 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
DR2 OAD CBF CAB 123.000 3.000
DR2 OAD CBF NAX 123.000 3.000
DR2 CAB CBF NAX 116.500 3.000
DR2 CBF CAB HAB3 109.470 3.000
DR2 CBF CAB HAB2 109.470 3.000
DR2 CBF CAB HAB1 109.470 3.000
DR2 HAB3 CAB HAB2 109.470 3.000
DR2 HAB3 CAB HAB1 109.470 3.000
DR2 HAB2 CAB HAB1 109.470 3.000
DR2 CBF NAX HAX 120.000 3.000
DR2 CBF NAX CBS 121.500 3.000
DR2 HAX NAX CBS 118.500 3.000
DR2 NAX CBS HBS 108.550 3.000
DR2 NAX CBS CBI 110.000 3.000
DR2 NAX CBS CBV 110.000 3.000
DR2 HBS CBS CBI 108.340 3.000
DR2 HBS CBS CBV 108.340 3.000
DR2 CBI CBS CBV 111.000 3.000
DR2 CBS CBI HBI 108.340 3.000
DR2 CBS CBI OAH 109.470 3.000
DR2 CBS CBI OBA 109.470 3.000
DR2 HBI CBI OAH 109.470 3.000
DR2 HBI CBI OBA 109.470 3.000
DR2 OAH CBI OBA 109.470 3.000
DR2 CBI OAH HAH 109.470 3.000
DR2 CBI OBA CBK 111.800 3.000
DR2 OBA CBK HBK 109.470 3.000
DR2 OBA CBK CAV 109.470 3.000
DR2 OBA CBK CBU 109.470 3.000
DR2 HBK CBK CAV 108.340 3.000
DR2 HBK CBK CBU 108.340 3.000
DR2 CAV CBK CBU 111.000 3.000
DR2 CBK CAV HAV1 109.470 3.000
DR2 CBK CAV HAV2 109.470 3.000
DR2 CBK CAV OAG 109.470 3.000
DR2 HAV1 CAV HAV2 107.900 3.000
DR2 HAV1 CAV OAG 109.470 3.000
DR2 HAV2 CAV OAG 109.470 3.000
DR2 CAV OAG HAG 109.470 3.000
DR2 CBK CBU HBU 108.340 3.000
DR2 CBK CBU CBV 111.000 3.000
DR2 CBK CBU "O1'" 109.470 3.000
DR2 HBU CBU CBV 108.340 3.000
DR2 HBU CBU "O1'" 109.470 3.000
DR2 CBV CBU "O1'" 109.470 3.000
DR2 CBU CBV HBV 108.340 3.000
DR2 CBU CBV OAZ 109.470 3.000
DR2 CBU CBV CBS 111.000 3.000
DR2 HBV CBV OAZ 109.470 3.000
DR2 HBV CBV CBS 108.340 3.000
DR2 OAZ CBV CBS 109.470 3.000
DR2 CBV OAZ HAZ 109.470 3.000
DR2 CBU "O1'" "C1'" 111.800 3.000
DR2 "O1'" "C1'" "H1'" 109.470 3.000
DR2 "O1'" "C1'" "C2'" 109.470 3.000
DR2 "O1'" "C1'" "O5'" 109.470 3.000
DR2 "H1'" "C1'" "C2'" 108.340 3.000
DR2 "H1'" "C1'" "O5'" 109.470 3.000
DR2 "C2'" "C1'" "O5'" 109.470 3.000
DR2 "C1'" "C2'" "H2'" 108.340 3.000
DR2 "C1'" "C2'" "C3'" 111.000 3.000
DR2 "C1'" "C2'" "O2'" 109.470 3.000
DR2 "H2'" "C2'" "C3'" 108.340 3.000
DR2 "H2'" "C2'" "O2'" 109.470 3.000
DR2 "C3'" "C2'" "O2'" 109.470 3.000
DR2 "C2'" "C3'" "H3'" 108.340 3.000
DR2 "C2'" "C3'" "O3'" 109.470 3.000
DR2 "C2'" "C3'" "C4'" 111.000 3.000
DR2 "H3'" "C3'" "O3'" 109.470 3.000
DR2 "H3'" "C3'" "C4'" 108.340 3.000
DR2 "O3'" "C3'" "C4'" 109.470 3.000
DR2 "C3'" "O3'" H2 109.470 3.000
DR2 "C3'" "C4'" "H4'" 108.340 3.000
DR2 "C3'" "C4'" "O4'" 109.470 3.000
DR2 "C3'" "C4'" "C5'" 111.000 3.000
DR2 "H4'" "C4'" "O4'" 109.470 3.000
DR2 "H4'" "C4'" "C5'" 108.340 3.000
DR2 "O4'" "C4'" "C5'" 109.470 3.000
DR2 "C4'" "O4'" H1 109.470 3.000
DR2 "C4'" "C5'" "H5'" 108.340 3.000
DR2 "C4'" "C5'" "C6'" 111.000 3.000
DR2 "C4'" "C5'" "O5'" 109.470 3.000
DR2 "H5'" "C5'" "C6'" 108.340 3.000
DR2 "H5'" "C5'" "O5'" 109.470 3.000
DR2 "C6'" "C5'" "O5'" 109.470 3.000
DR2 "C5'" "C6'" "H6'1" 109.470 3.000
DR2 "C5'" "C6'" "H6'2" 109.470 3.000
DR2 "C5'" "C6'" "O6'" 109.470 3.000
DR2 "H6'1" "C6'" "H6'2" 107.900 3.000
DR2 "H6'1" "C6'" "O6'" 109.470 3.000
DR2 "H6'2" "C6'" "O6'" 109.470 3.000
DR2 "C6'" "O6'" "H6'" 109.470 3.000
DR2 "C5'" "O5'" "C1'" 111.800 3.000
DR2 "C2'" "O2'" CBQ 111.800 3.000
DR2 "O2'" CBQ HBQ 109.470 3.000
DR2 "O2'" CBQ CBO 109.470 3.000
DR2 "O2'" CBQ OBB 109.470 3.000
DR2 HBQ CBQ CBO 108.340 3.000
DR2 HBQ CBQ OBB 109.470 3.000
DR2 CBO CBQ OBB 109.470 3.000
DR2 CBQ CBO HBO 108.340 3.000
DR2 CBQ CBO OAL 109.470 3.000
DR2 CBQ CBO CBN 111.000 3.000
DR2 HBO CBO OAL 109.470 3.000
DR2 HBO CBO CBN 108.340 3.000
DR2 OAL CBO CBN 109.470 3.000
DR2 CBO OAL HAL 109.470 3.000
DR2 CBO CBN HBN 108.340 3.000
DR2 CBO CBN OAK 109.470 3.000
DR2 CBO CBN CBL 111.000 3.000
DR2 HBN CBN OAK 109.470 3.000
DR2 HBN CBN CBL 108.340 3.000
DR2 OAK CBN CBL 109.470 3.000
DR2 CBN OAK HAK 109.470 3.000
DR2 CBN CBL HBL 108.340 3.000
DR2 CBN CBL OAI 109.470 3.000
DR2 CBN CBL CBH 111.000 3.000
DR2 HBL CBL OAI 109.470 3.000
DR2 HBL CBL CBH 108.340 3.000
DR2 OAI CBL CBH 109.470 3.000
DR2 CBL OAI HAI 109.470 3.000
DR2 CBL CBH HBH 108.340 3.000
DR2 CBL CBH OBB 109.470 3.000
DR2 CBL CBH CAC 111.000 3.000
DR2 HBH CBH OBB 109.470 3.000
DR2 HBH CBH CAC 108.340 3.000
DR2 OBB CBH CAC 109.470 3.000
DR2 CBH OBB CBQ 111.800 3.000
DR2 CBH CAC HAC3 109.470 3.000
DR2 CBH CAC HAC2 109.470 3.000
DR2 CBH CAC HAC1 109.470 3.000
DR2 HAC3 CAC HAC2 109.470 3.000
DR2 HAC3 CAC HAC1 109.470 3.000
DR2 HAC2 CAC HAC1 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
DR2 var_1 OAD CBF CAB HAB1 -179.995 20.000 1
DR2 CONST_1 OAD CBF NAX CBS 0.000 0.000 0
DR2 var_2 CBF NAX CBS CBI 85.398 20.000 3
DR2 var_3 NAX CBS CBI OBA 180.000 20.000 3
DR2 var_4 CBS CBI OAH HAH 179.983 20.000 1
DR2 var_5 CBS CBI OBA CBK -60.000 20.000 1
DR2 var_6 CBI OBA CBK CBU 60.000 20.000 1
DR2 var_7 OBA CBK CAV OAG 65.576 20.000 3
DR2 var_8 CBK CAV OAG HAG -179.960 20.000 1
DR2 var_9 OBA CBK CBU "O1'" 180.000 20.000 3
DR2 var_10 CBK CBU CBV OAZ 180.000 20.000 3
DR2 var_11 CBU CBV CBS NAX 180.000 20.000 3
DR2 var_12 CBU CBV OAZ HAZ -179.994 20.000 1
DR2 var_13 CBK CBU "O1'" "C1'" -103.973 20.000 1
DR2 var_14 CBU "O1'" "C1'" "C2'" 169.117 20.000 1
DR2 var_15 "O1'" "C1'" "O5'" "C5'" 180.000 20.000 1
DR2 var_16 "O1'" "C1'" "C2'" "O2'" -60.000 20.000 3
DR2 var_17 "C1'" "C2'" "C3'" "C4'" -60.000 20.000 3
DR2 var_18 "C2'" "C3'" "O3'" H2 -179.994 20.000 1
DR2 var_19 "C2'" "C3'" "C4'" "C5'" 60.000 20.000 3
DR2 var_20 "C3'" "C4'" "O4'" H1 179.977 20.000 1
DR2 var_21 "C3'" "C4'" "C5'" "O5'" -60.000 20.000 3
DR2 var_22 "C4'" "C5'" "C6'" "O6'" -175.017 20.000 3
DR2 var_23 "C5'" "C6'" "O6'" "H6'" -179.978 20.000 1
DR2 var_24 "C4'" "C5'" "O5'" "C1'" 60.000 20.000 1
DR2 var_25 "C1'" "C2'" "O2'" CBQ 145.661 20.000 1
DR2 var_26 "C2'" "O2'" CBQ CBO 165.567 20.000 1
DR2 var_27 "O2'" CBQ OBB CBH -60.000 20.000 1
DR2 var_28 "O2'" CBQ CBO CBN 60.000 20.000 3
DR2 var_29 CBQ CBO OAL HAL -60.098 20.000 1
DR2 var_30 CBQ CBO CBN CBL 60.000 20.000 3
DR2 var_31 CBO CBN OAK HAK 59.973 20.000 1
DR2 var_32 CBO CBN CBL CBH -60.000 20.000 3
DR2 var_33 CBN CBL OAI HAI 179.940 20.000 1
DR2 var_34 CBN CBL CBH CAC 180.000 20.000 3
DR2 var_35 CBL CBH OBB CBQ -60.000 20.000 1
DR2 var_36 CBL CBH CAC HAC1 -65.925 20.000 3
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
DR2 chir_01 CBV OAZ CBS CBU positiv
DR2 chir_02 CBS CBV NAX CBI negativ
DR2 chir_03 CBI CBS OAH OBA positiv
DR2 chir_04 CBK OBA CAV CBU positiv
DR2 chir_05 CBU CBV CBK "O1'" negativ
DR2 chir_06 "C1'" "O1'" "O5'" "C2'" positiv
DR2 chir_07 "C5'" "O5'" "C6'" "C4'" positiv
DR2 chir_08 "C4'" "C5'" "O4'" "C3'" positiv
DR2 chir_09 "C3'" "C4'" "O3'" "C2'" positiv
DR2 chir_10 "C2'" "C1'" "C3'" "O2'" negativ
DR2 chir_11 CBQ "O2'" OBB CBO positiv
DR2 chir_12 CBH OBB CAC CBL negativ
DR2 chir_13 CBL CBH OAI CBN negativ
DR2 chir_14 CBN CBL OAK CBO negativ
DR2 chir_15 CBO CBQ CBN OAL 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
DR2 plan-1 NAX 0.020
DR2 plan-1 CBS 0.020
DR2 plan-1 CBF 0.020
DR2 plan-1 HAX 0.020
DR2 plan-2 CBF 0.020
DR2 plan-2 NAX 0.020
DR2 plan-2 CAB 0.020
DR2 plan-2 OAD 0.020
DR2 plan-2 HAX 0.020
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