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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
ZP4 ZP4 '. ' non-polymer 77 53 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZP4
#
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
ZP4 O2D O OP -0.500 0.000 0.000 0.000
ZP4 PD P P 0.000 -1.388 0.200 0.482
ZP4 O1D O OP -0.500 -1.403 0.189 1.965
ZP4 O51 O O2 0.000 -1.942 1.615 -0.050
ZP4 C51 C CH2 0.000 -1.267 2.853 0.184
ZP4 H51 H H 0.000 -0.268 2.811 -0.257
ZP4 H51A H H 0.000 -1.182 3.023 1.259
ZP4 C41 C CH1 0.000 -2.060 3.994 -0.455
ZP4 H41 H H 0.000 -2.232 3.782 -1.520
ZP4 C31 C CH1 0.000 -1.288 5.319 -0.301
ZP4 H31 H H 0.000 -0.364 5.161 0.274
ZP4 O31 O OH1 0.000 -0.990 5.877 -1.583
ZP4 HO31 H H 0.000 -0.559 6.734 -1.469
ZP4 C21 C CH1 0.000 -2.260 6.238 0.477
ZP4 H21 H H 0.000 -2.027 6.236 1.551
ZP4 O21 O OH1 0.000 -2.236 7.567 -0.047
ZP4 HO21 H H 0.000 -1.374 7.967 0.132
ZP4 C11 C CH1 0.000 -3.630 5.563 0.208
ZP4 H11 H H 0.000 -4.023 5.863 -0.774
ZP4 N9R N NR5 0.000 -4.586 5.890 1.267
ZP4 C4R C CR56 0.000 -5.432 6.972 1.293
ZP4 N3R N NRD6 0.000 -5.681 7.987 0.473
ZP4 C2R C CR16 0.000 -6.586 8.892 0.782
ZP4 H2R H H 0.000 -6.761 9.710 0.094
ZP4 N1R N NRD6 0.000 -7.288 8.840 1.899
ZP4 C6R C CR6 0.000 -7.111 7.858 2.778
ZP4 N6R N NH2 0.000 -7.851 7.813 3.946
ZP4 HN6A H H 0.000 -8.540 8.531 4.147
ZP4 HN6R H H 0.000 -7.713 7.062 4.615
ZP4 C5R C CR56 0.000 -6.156 6.868 2.492
ZP4 N7R N NRD5 0.000 -5.718 5.756 3.129
ZP4 C8R C CR15 0.000 -4.797 5.181 2.412
ZP4 H8R H H 0.000 -4.274 4.273 2.684
ZP4 O41 O O2 0.000 -3.318 4.153 0.222
ZP4 O3G O O2 0.000 -2.324 -0.986 -0.073
ZP4 PG P P 0.000 -2.164 -2.585 -0.173
ZP4 O1G O OP -0.500 -1.626 -3.108 1.106
ZP4 O2G O OP -0.500 -1.230 -2.919 -1.275
ZP4 O3B O O2 0.000 -3.600 -3.252 -0.465
ZP4 PB P P 0.000 -4.203 -4.733 -0.280
ZP4 O1B O OP -0.500 -3.669 -5.621 -1.341
ZP4 O2B O OP -0.500 -3.815 -5.263 1.050
ZP4 O3A O O2 0.000 -5.809 -4.676 -0.387
ZP4 PA P P 0.000 -6.997 -5.652 0.087
ZP4 O1A O OP -0.500 -7.063 -6.827 -0.816
ZP4 O2A O OP -0.500 -6.737 -6.109 1.474
ZP4 "O5'" O O2 0.000 -8.397 -4.859 0.037
ZP4 "C5'" C CH2 0.000 -9.627 -5.421 0.498
ZP4 "H5'" H H 0.000 -9.538 -5.673 1.557
ZP4 "H5'A" H H 0.000 -9.850 -6.325 -0.072
ZP4 "C4'" C CH1 0.000 -10.755 -4.404 0.307
ZP4 "H4'" H H 0.000 -10.488 -3.453 0.788
ZP4 "C3'" C CH1 0.000 -12.061 -4.952 0.915
ZP4 "H3'" H H 0.000 -11.908 -5.967 1.307
ZP4 "C2'" C CH2 0.000 -13.053 -4.973 -0.274
ZP4 "H2'A" H H 0.000 -14.053 -4.630 -0.001
ZP4 "H2'" H H 0.000 -13.124 -5.951 -0.753
ZP4 "N3'" N N 0.000 -12.547 -4.061 1.972
ZP4 N3A N N 1.000 -13.483 -4.321 2.539
ZP4 N3B N NS -1.000 -14.418 -4.579 3.106
ZP4 "O4'" O O2 0.000 -10.991 -4.195 -1.095
ZP4 "C1'" C CH1 0.000 -12.408 -3.961 -1.253
ZP4 "H1'" H H 0.000 -12.664 -2.930 -0.970
ZP4 N1 N NR6 0.000 -12.826 -4.237 -2.630
ZP4 C2 C CR6 0.000 -12.454 -5.387 -3.221
ZP4 O2 O O 0.000 -11.774 -6.186 -2.604
ZP4 N3 N NR16 0.000 -12.823 -5.667 -4.484
ZP4 HN3 H H 0.000 -12.527 -6.561 -4.924
ZP4 C4 C CR6 0.000 -13.576 -4.792 -5.182
ZP4 O4 O O 0.000 -13.912 -5.045 -6.325
ZP4 C5 C CR6 0.000 -13.969 -3.575 -4.574
ZP4 C5A C CH3 0.000 -14.811 -2.581 -5.330
ZP4 H5AB H H 0.000 -15.723 -2.425 -4.814
ZP4 H5AA H H 0.000 -14.289 -1.663 -5.409
ZP4 H5A H H 0.000 -15.014 -2.955 -6.300
ZP4 C6 C CR16 0.000 -13.585 -3.320 -3.305
ZP4 H6 H H 0.000 -13.875 -2.394 -2.824
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
ZP4 O2D n/a PD START
ZP4 PD O2D O3G .
ZP4 O1D PD . .
ZP4 O51 PD C51 .
ZP4 C51 O51 C41 .
ZP4 H51 C51 . .
ZP4 H51A C51 . .
ZP4 C41 C51 C31 .
ZP4 H41 C41 . .
ZP4 C31 C41 C21 .
ZP4 H31 C31 . .
ZP4 O31 C31 HO31 .
ZP4 HO31 O31 . .
ZP4 C21 C31 C11 .
ZP4 H21 C21 . .
ZP4 O21 C21 HO21 .
ZP4 HO21 O21 . .
ZP4 C11 C21 O41 .
ZP4 H11 C11 . .
ZP4 N9R C11 C4R .
ZP4 C4R N9R C5R .
ZP4 N3R C4R C2R .
ZP4 C2R N3R N1R .
ZP4 H2R C2R . .
ZP4 N1R C2R C6R .
ZP4 C6R N1R N6R .
ZP4 N6R C6R HN6R .
ZP4 HN6A N6R . .
ZP4 HN6R N6R . .
ZP4 C5R C4R N7R .
ZP4 N7R C5R C8R .
ZP4 C8R N7R H8R .
ZP4 H8R C8R . .
ZP4 O41 C11 . .
ZP4 O3G PD PG .
ZP4 PG O3G O3B .
ZP4 O1G PG . .
ZP4 O2G PG . .
ZP4 O3B PG PB .
ZP4 PB O3B O3A .
ZP4 O1B PB . .
ZP4 O2B PB . .
ZP4 O3A PB PA .
ZP4 PA O3A "O5'" .
ZP4 O1A PA . .
ZP4 O2A PA . .
ZP4 "O5'" PA "C5'" .
ZP4 "C5'" "O5'" "C4'" .
ZP4 "H5'" "C5'" . .
ZP4 "H5'A" "C5'" . .
ZP4 "C4'" "C5'" "O4'" .
ZP4 "H4'" "C4'" . .
ZP4 "C3'" "C4'" "N3'" .
ZP4 "H3'" "C3'" . .
ZP4 "C2'" "C3'" "H2'" .
ZP4 "H2'A" "C2'" . .
ZP4 "H2'" "C2'" . .
ZP4 "N3'" "C3'" N3A .
ZP4 N3A "N3'" N3B .
ZP4 N3B N3A . .
ZP4 "O4'" "C4'" "C1'" .
ZP4 "C1'" "O4'" N1 .
ZP4 "H1'" "C1'" . .
ZP4 N1 "C1'" C2 .
ZP4 C2 N1 N3 .
ZP4 O2 C2 . .
ZP4 N3 C2 C4 .
ZP4 HN3 N3 . .
ZP4 C4 N3 C5 .
ZP4 O4 C4 . .
ZP4 C5 C4 C6 .
ZP4 C5A C5 H5A .
ZP4 H5AB C5A . .
ZP4 H5AA C5A . .
ZP4 H5A C5A . .
ZP4 C6 C5 H6 .
ZP4 H6 C6 . END
ZP4 N1 C6 . ADD
ZP4 "C2'" "C1'" . ADD
ZP4 C41 O41 . ADD
ZP4 N9R C8R . ADD
ZP4 C5R C6R . 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
ZP4 "O5'" PA single 1.610 0.020
ZP4 N3A "N3'" double 1.240 0.020
ZP4 N3B N3A double 1.295 0.020
ZP4 N1 "C1'" single 1.465 0.020
ZP4 N1 C6 single 1.337 0.020
ZP4 H6 C6 single 1.083 0.020
ZP4 C2 N1 single 1.410 0.020
ZP4 O2 C2 double 1.250 0.020
ZP4 N3 C2 single 1.337 0.020
ZP4 HN3 N3 single 1.040 0.020
ZP4 C4 N3 single 1.337 0.020
ZP4 C5 C4 single 1.487 0.020
ZP4 O4 C4 double 1.250 0.020
ZP4 C6 C5 double 1.390 0.020
ZP4 C5A C5 single 1.506 0.020
ZP4 H5A C5A single 1.059 0.020
ZP4 H5AA C5A single 1.059 0.020
ZP4 H5AB C5A single 1.059 0.020
ZP4 "C2'" "C3'" single 1.524 0.020
ZP4 "H2'" "C2'" single 1.092 0.020
ZP4 "H2'A" "C2'" single 1.092 0.020
ZP4 "C5'" "O5'" single 1.426 0.020
ZP4 "H5'" "C5'" single 1.092 0.020
ZP4 "H5'A" "C5'" single 1.092 0.020
ZP4 "C4'" "C5'" single 1.524 0.020
ZP4 "C3'" "C4'" single 1.524 0.020
ZP4 "H4'" "C4'" single 1.099 0.020
ZP4 "O4'" "C4'" single 1.426 0.020
ZP4 "C2'" "C1'" single 1.524 0.020
ZP4 "C1'" "O4'" single 1.426 0.020
ZP4 "H1'" "C1'" single 1.099 0.020
ZP4 "N3'" "C3'" single 1.455 0.020
ZP4 "H3'" "C3'" single 1.099 0.020
ZP4 O1A PA deloc 1.510 0.020
ZP4 PA O3A single 1.610 0.020
ZP4 O2A PA deloc 1.510 0.020
ZP4 O3A PB single 1.610 0.020
ZP4 O1B PB deloc 1.510 0.020
ZP4 PB O3B single 1.610 0.020
ZP4 O2B PB deloc 1.510 0.020
ZP4 O3B PG single 1.610 0.020
ZP4 O2G PG deloc 1.510 0.020
ZP4 O1G PG deloc 1.510 0.020
ZP4 PG O3G single 1.610 0.020
ZP4 O3G PD single 1.610 0.020
ZP4 O1D PD deloc 1.510 0.020
ZP4 PD O2D deloc 1.510 0.020
ZP4 O51 PD single 1.610 0.020
ZP4 C51 O51 single 1.426 0.020
ZP4 H51 C51 single 1.092 0.020
ZP4 H51A C51 single 1.092 0.020
ZP4 C41 C51 single 1.524 0.020
ZP4 C41 O41 single 1.426 0.020
ZP4 H41 C41 single 1.099 0.020
ZP4 O41 C11 single 1.426 0.020
ZP4 H11 C11 single 1.099 0.020
ZP4 C11 C21 single 1.524 0.020
ZP4 C21 C31 single 1.524 0.020
ZP4 H21 C21 single 1.099 0.020
ZP4 O21 C21 single 1.432 0.020
ZP4 HO21 O21 single 0.967 0.020
ZP4 C31 C41 single 1.524 0.020
ZP4 H31 C31 single 1.099 0.020
ZP4 O31 C31 single 1.432 0.020
ZP4 HO31 O31 single 0.967 0.020
ZP4 N9R C11 single 1.485 0.020
ZP4 N9R C8R single 1.337 0.020
ZP4 H8R C8R single 1.083 0.020
ZP4 C8R N7R double 1.350 0.020
ZP4 N7R C5R single 1.350 0.020
ZP4 C5R C6R double 1.490 0.020
ZP4 N6R C6R single 1.355 0.020
ZP4 HN6R N6R single 1.010 0.020
ZP4 HN6A N6R single 1.010 0.020
ZP4 C6R N1R single 1.350 0.020
ZP4 N1R C2R double 1.337 0.020
ZP4 C2R N3R single 1.337 0.020
ZP4 H2R C2R single 1.083 0.020
ZP4 N3R C4R double 1.355 0.020
ZP4 C4R N9R single 1.337 0.020
ZP4 C5R C4R single 1.490 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
ZP4 O2D PD O1D 119.900 3.000
ZP4 O2D PD O51 108.200 3.000
ZP4 O2D PD O3G 108.200 3.000
ZP4 O1D PD O51 108.200 3.000
ZP4 O1D PD O3G 108.200 3.000
ZP4 O51 PD O3G 102.600 3.000
ZP4 PD O51 C51 120.500 3.000
ZP4 O51 C51 H51 109.470 3.000
ZP4 O51 C51 H51A 109.470 3.000
ZP4 O51 C51 C41 109.470 3.000
ZP4 H51 C51 H51A 107.900 3.000
ZP4 H51 C51 C41 109.470 3.000
ZP4 H51A C51 C41 109.470 3.000
ZP4 C51 C41 H41 108.340 3.000
ZP4 C51 C41 C31 111.000 3.000
ZP4 C51 C41 O41 109.470 3.000
ZP4 H41 C41 C31 108.340 3.000
ZP4 H41 C41 O41 109.470 3.000
ZP4 C31 C41 O41 109.470 3.000
ZP4 C41 C31 H31 108.340 3.000
ZP4 C41 C31 O31 109.470 3.000
ZP4 C41 C31 C21 111.000 3.000
ZP4 H31 C31 O31 109.470 3.000
ZP4 H31 C31 C21 108.340 3.000
ZP4 O31 C31 C21 109.470 3.000
ZP4 C31 O31 HO31 109.470 3.000
ZP4 C31 C21 H21 108.340 3.000
ZP4 C31 C21 O21 109.470 3.000
ZP4 C31 C21 C11 111.000 3.000
ZP4 H21 C21 O21 109.470 3.000
ZP4 H21 C21 C11 108.340 3.000
ZP4 O21 C21 C11 109.470 3.000
ZP4 C21 O21 HO21 109.470 3.000
ZP4 C21 C11 H11 108.340 3.000
ZP4 C21 C11 N9R 109.470 3.000
ZP4 C21 C11 O41 109.470 3.000
ZP4 H11 C11 N9R 109.470 3.000
ZP4 H11 C11 O41 109.470 3.000
ZP4 N9R C11 O41 109.470 3.000
ZP4 C11 N9R C4R 126.000 3.000
ZP4 C11 N9R C8R 126.000 3.000
ZP4 C4R N9R C8R 108.000 3.000
ZP4 N9R C4R N3R 132.000 3.000
ZP4 N9R C4R C5R 108.000 3.000
ZP4 N3R C4R C5R 120.000 3.000
ZP4 C4R N3R C2R 120.000 3.000
ZP4 N3R C2R H2R 120.000 3.000
ZP4 N3R C2R N1R 120.000 3.000
ZP4 H2R C2R N1R 120.000 3.000
ZP4 C2R N1R C6R 120.000 3.000
ZP4 N1R C6R N6R 120.000 3.000
ZP4 N1R C6R C5R 120.000 3.000
ZP4 N6R C6R C5R 120.000 3.000
ZP4 C6R N6R HN6A 120.000 3.000
ZP4 C6R N6R HN6R 120.000 3.000
ZP4 HN6A N6R HN6R 120.000 3.000
ZP4 C4R C5R N7R 108.000 3.000
ZP4 C4R C5R C6R 120.000 3.000
ZP4 N7R C5R C6R 132.000 3.000
ZP4 C5R N7R C8R 108.000 3.000
ZP4 N7R C8R H8R 126.000 3.000
ZP4 N7R C8R N9R 108.000 3.000
ZP4 H8R C8R N9R 126.000 3.000
ZP4 C11 O41 C41 111.800 3.000
ZP4 PD O3G PG 120.500 3.000
ZP4 O3G PG O1G 108.200 3.000
ZP4 O3G PG O2G 108.200 3.000
ZP4 O3G PG O3B 102.600 3.000
ZP4 O1G PG O2G 119.900 3.000
ZP4 O1G PG O3B 108.200 3.000
ZP4 O2G PG O3B 108.200 3.000
ZP4 PG O3B PB 120.500 3.000
ZP4 O3B PB O1B 108.200 3.000
ZP4 O3B PB O2B 108.200 3.000
ZP4 O3B PB O3A 102.600 3.000
ZP4 O1B PB O2B 119.900 3.000
ZP4 O1B PB O3A 108.200 3.000
ZP4 O2B PB O3A 108.200 3.000
ZP4 PB O3A PA 120.500 3.000
ZP4 O3A PA O1A 108.200 3.000
ZP4 O3A PA O2A 108.200 3.000
ZP4 O3A PA "O5'" 102.600 3.000
ZP4 O1A PA O2A 119.900 3.000
ZP4 O1A PA "O5'" 108.200 3.000
ZP4 O2A PA "O5'" 108.200 3.000
ZP4 PA "O5'" "C5'" 120.500 3.000
ZP4 "O5'" "C5'" "H5'" 109.470 3.000
ZP4 "O5'" "C5'" "H5'A" 109.470 3.000
ZP4 "O5'" "C5'" "C4'" 109.470 3.000
ZP4 "H5'" "C5'" "H5'A" 107.900 3.000
ZP4 "H5'" "C5'" "C4'" 109.470 3.000
ZP4 "H5'A" "C5'" "C4'" 109.470 3.000
ZP4 "C5'" "C4'" "H4'" 108.340 3.000
ZP4 "C5'" "C4'" "C3'" 111.000 3.000
ZP4 "C5'" "C4'" "O4'" 109.470 3.000
ZP4 "H4'" "C4'" "C3'" 108.340 3.000
ZP4 "H4'" "C4'" "O4'" 109.470 3.000
ZP4 "C3'" "C4'" "O4'" 109.470 3.000
ZP4 "C4'" "C3'" "H3'" 108.340 3.000
ZP4 "C4'" "C3'" "C2'" 111.000 3.000
ZP4 "C4'" "C3'" "N3'" 105.000 3.000
ZP4 "H3'" "C3'" "C2'" 108.340 3.000
ZP4 "H3'" "C3'" "N3'" 109.470 3.000
ZP4 "C2'" "C3'" "N3'" 105.000 3.000
ZP4 "C3'" "C2'" "H2'A" 109.470 3.000
ZP4 "C3'" "C2'" "H2'" 109.470 3.000
ZP4 "C3'" "C2'" "C1'" 111.000 3.000
ZP4 "H2'A" "C2'" "H2'" 107.900 3.000
ZP4 "H2'A" "C2'" "C1'" 109.470 3.000
ZP4 "H2'" "C2'" "C1'" 109.470 3.000
ZP4 "C3'" "N3'" N3A 120.000 3.000
ZP4 "N3'" N3A N3B 120.000 3.000
ZP4 "C4'" "O4'" "C1'" 111.800 3.000
ZP4 "O4'" "C1'" "H1'" 109.470 3.000
ZP4 "O4'" "C1'" N1 109.470 3.000
ZP4 "O4'" "C1'" "C2'" 109.470 3.000
ZP4 "H1'" "C1'" N1 109.470 3.000
ZP4 "H1'" "C1'" "C2'" 108.340 3.000
ZP4 N1 "C1'" "C2'" 109.470 3.000
ZP4 "C1'" N1 C2 120.000 3.000
ZP4 "C1'" N1 C6 120.000 3.000
ZP4 C2 N1 C6 120.000 3.000
ZP4 N1 C2 O2 120.000 3.000
ZP4 N1 C2 N3 120.000 3.000
ZP4 O2 C2 N3 120.000 3.000
ZP4 C2 N3 HN3 120.000 3.000
ZP4 C2 N3 C4 120.000 3.000
ZP4 HN3 N3 C4 120.000 3.000
ZP4 N3 C4 O4 120.000 3.000
ZP4 N3 C4 C5 120.000 3.000
ZP4 O4 C4 C5 120.000 3.000
ZP4 C4 C5 C5A 120.000 3.000
ZP4 C4 C5 C6 120.000 3.000
ZP4 C5A C5 C6 120.000 3.000
ZP4 C5 C5A H5AB 109.470 3.000
ZP4 C5 C5A H5AA 109.470 3.000
ZP4 C5 C5A H5A 109.470 3.000
ZP4 H5AB C5A H5AA 109.470 3.000
ZP4 H5AB C5A H5A 109.470 3.000
ZP4 H5AA C5A H5A 109.470 3.000
ZP4 C5 C6 H6 120.000 3.000
ZP4 C5 C6 N1 120.000 3.000
ZP4 H6 C6 N1 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
ZP4 var_1 O2D PD O51 C51 -54.997 20.000 1
ZP4 var_2 PD O51 C51 C41 179.997 20.000 1
ZP4 var_3 O51 C51 C41 C31 -175.747 20.000 3
ZP4 var_4 C51 C41 O41 C11 150.000 20.000 1
ZP4 var_5 C51 C41 C31 C21 -120.000 20.000 3
ZP4 var_6 C41 C31 O31 HO31 176.217 20.000 1
ZP4 var_7 C41 C31 C21 C11 -30.000 20.000 3
ZP4 var_8 C31 C21 O21 HO21 -67.253 20.000 1
ZP4 var_9 C31 C21 C11 O41 30.000 20.000 3
ZP4 var_10 C21 C11 N9R C4R 89.085 20.000 1
ZP4 CONST_1 C11 N9R C8R N7R 180.000 0.000 0
ZP4 CONST_2 C11 N9R C4R C5R 180.000 0.000 0
ZP4 CONST_3 N9R C4R N3R C2R 180.000 0.000 0
ZP4 CONST_4 C4R N3R C2R N1R 0.000 0.000 0
ZP4 CONST_5 N3R C2R N1R C6R 0.000 0.000 0
ZP4 CONST_6 C2R N1R C6R N6R 180.000 0.000 0
ZP4 CONST_7 N1R C6R N6R HN6R -179.965 0.000 0
ZP4 CONST_8 N9R C4R C5R N7R 0.000 0.000 0
ZP4 CONST_9 C4R C5R C6R N1R 0.000 0.000 0
ZP4 CONST_10 C4R C5R N7R C8R 0.000 0.000 0
ZP4 CONST_11 C5R N7R C8R N9R 0.000 0.000 0
ZP4 var_11 C21 C11 O41 C41 -30.000 20.000 1
ZP4 var_12 O2D PD O3G PG 45.063 20.000 1
ZP4 var_13 PD O3G PG O3B 164.979 20.000 1
ZP4 var_14 O3G PG O3B PB -159.980 20.000 1
ZP4 var_15 PG O3B PB O3A 164.969 20.000 1
ZP4 var_16 O3B PB O3A PA -160.028 20.000 1
ZP4 var_17 PB O3A PA "O5'" 165.009 20.000 1
ZP4 var_18 O3A PA "O5'" "C5'" -175.007 20.000 1
ZP4 var_19 PA "O5'" "C5'" "C4'" 179.982 20.000 1
ZP4 var_20 "O5'" "C5'" "C4'" "O4'" 67.228 20.000 3
ZP4 var_21 "C5'" "C4'" "C3'" "N3'" 120.000 20.000 3
ZP4 var_22 "C4'" "C3'" "C2'" "C1'" -30.000 20.000 3
ZP4 var_23 "C3'" "C2'" "C1'" "O4'" 30.000 20.000 3
ZP4 var_24 "C4'" "C3'" "N3'" N3A -178.759 20.000 3
ZP4 CONST_12 "C3'" "N3'" N3A N3B -152.076 0.000 0
ZP4 var_25 "C5'" "C4'" "O4'" "C1'" 150.000 20.000 1
ZP4 var_26 "C4'" "O4'" "C1'" N1 -150.000 20.000 1
ZP4 var_27 "O4'" "C1'" N1 C2 48.795 20.000 1
ZP4 CONST_13 "C1'" N1 C6 C5 180.000 0.000 0
ZP4 CONST_14 "C1'" N1 C2 N3 180.000 0.000 0
ZP4 CONST_15 N1 C2 N3 C4 0.000 0.000 0
ZP4 CONST_16 C2 N3 C4 C5 0.000 0.000 0
ZP4 CONST_17 N3 C4 C5 C6 0.000 0.000 0
ZP4 var_28 C4 C5 C5A H5A -0.054 20.000 1
ZP4 CONST_18 C4 C5 C6 N1 0.000 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
ZP4 chir_01 "C4'" "C5'" "O4'" "C3'" negativ
ZP4 chir_02 "C1'" N1 "C2'" "O4'" negativ
ZP4 chir_03 "C3'" "N3'" "C2'" "C4'" negativ
ZP4 chir_04 C41 C51 O41 C31 negativ
ZP4 chir_05 C11 O41 C21 N9R positiv
ZP4 chir_06 C21 C11 O21 C31 positiv
ZP4 chir_07 C31 C41 C21 O31 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
ZP4 plan-1 "N3'" 0.020
ZP4 plan-1 N3A 0.020
ZP4 plan-1 "C3'" 0.020
ZP4 plan-1 N3B 0.020
ZP4 plan-2 N1 0.020
ZP4 plan-2 C6 0.020
ZP4 plan-2 C2 0.020
ZP4 plan-2 "C1'" 0.020
ZP4 plan-2 N3 0.020
ZP4 plan-2 C4 0.020
ZP4 plan-2 C5 0.020
ZP4 plan-2 H6 0.020
ZP4 plan-2 O2 0.020
ZP4 plan-2 HN3 0.020
ZP4 plan-2 O4 0.020
ZP4 plan-2 C5A 0.020
ZP4 plan-3 N9R 0.020
ZP4 plan-3 C11 0.020
ZP4 plan-3 C8R 0.020
ZP4 plan-3 C4R 0.020
ZP4 plan-3 N7R 0.020
ZP4 plan-3 H8R 0.020
ZP4 plan-3 C5R 0.020
ZP4 plan-3 C6R 0.020
ZP4 plan-3 N1R 0.020
ZP4 plan-3 C2R 0.020
ZP4 plan-3 N3R 0.020
ZP4 plan-3 N6R 0.020
ZP4 plan-3 H2R 0.020
ZP4 plan-3 HN6A 0.020
ZP4 plan-3 HN6R 0.020
ZP4 plan-4 N6R 0.020
ZP4 plan-4 C6R 0.020
ZP4 plan-4 HN6R 0.020
ZP4 plan-4 HN6A 0.020
# ------------------------------------------------------
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