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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
G5P G5P '. ' non-polymer 82 58 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_G5P
#
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
G5P O6 O O 0.000 0.000 0.000 0.000
G5P C6 C CR6 0.000 -0.181 1.170 0.290
G5P N1 N NR16 0.000 0.808 1.910 0.838
G5P HN1 H H 0.000 1.739 1.480 1.013
G5P C2 C CR6 0.000 0.591 3.216 1.163
G5P N2 N NH2 0.000 1.613 3.940 1.725
G5P HN22 H H 0.000 2.512 3.506 1.898
G5P HN21 H H 0.000 1.476 4.914 1.970
G5P N3 N NRD6 0.000 -0.565 3.802 0.949
G5P C4 C CR56 0.000 -1.589 3.136 0.405
G5P C5 C CR56 0.000 -1.431 1.789 0.054
G5P N7 N NRD5 0.000 -2.609 1.370 -0.469
G5P C8 C CR15 0.000 -3.459 2.354 -0.461
G5P H8 H H 0.000 -4.479 2.299 -0.821
G5P N9 N NR5 0.000 -2.874 3.466 0.070
G5P "C1'" C CH1 0.000 -3.506 4.776 0.250
G5P "H1'" H H 0.000 -3.146 5.250 1.174
G5P "O4'" O O2 0.000 -4.943 4.641 0.283
G5P "C2'" C CH1 0.000 -3.219 5.684 -0.967
G5P H10 H H 0.000 -3.001 5.076 -1.857
G5P "O2'" O OH1 0.000 -2.136 6.574 -0.693
G5P H11 H H 0.000 -2.013 7.172 -1.442
G5P "C3'" C CH1 0.000 -4.535 6.474 -1.161
G5P H7 H H 0.000 -4.971 6.260 -2.147
G5P "O3'" O OH1 0.000 -4.304 7.876 -1.010
G5P H9 H H 0.000 -3.726 8.185 -1.721
G5P "C4'" C CH1 0.000 -5.456 5.952 -0.036
G5P "H4'" H H 0.000 -5.397 6.610 0.842
G5P "C5'" C CH2 0.000 -6.901 5.853 -0.531
G5P "H5'1" H H 0.000 -6.954 5.140 -1.356
G5P "H5'2" H H 0.000 -7.234 6.834 -0.877
G5P "O5'" O O2 0.000 -7.741 5.412 0.538
G5P PA P P 0.000 -9.238 5.331 -0.051
G5P O1A O OP -0.500 -9.699 6.692 -0.417
G5P O2A O OP -0.500 -9.249 4.464 -1.254
G5P O3A O O2 0.000 -10.220 4.713 1.066
G5P PB P P 0.000 -11.522 4.169 0.290
G5P O1B O OP -0.500 -12.371 5.315 -0.116
G5P O2B O OP -0.500 -11.099 3.415 -0.915
G5P O3B O O2 0.000 -12.360 3.198 1.264
G5P PG P P 0.000 -13.300 2.294 0.321
G5P O1G O OP -0.500 -14.434 3.111 -0.176
G5P O2G O OP -0.500 -12.511 1.791 -0.829
G5P O3G O O2 0.000 -13.869 1.048 1.168
G5P PD P P 0.000 -14.332 -0.067 0.102
G5P O1D O OP -0.500 -13.145 -0.817 -0.375
G5P O2D O OP -0.500 -14.995 0.594 -1.048
G5P O3D O O2 0.000 -15.364 -1.084 0.804
G5P PE P P 0.000 -16.083 -1.907 -0.378
G5P O1E O OP -0.500 -17.079 -1.037 -1.050
G5P O2E O OP -0.500 -15.066 -2.345 -1.364
G5P O5F O O2 0.000 -16.824 -3.196 0.238
G5P C5F C CH2 0.000 -17.340 -3.943 -0.865
G5P H11X H H 0.000 -16.517 -4.243 -1.518
G5P H12 H H 0.000 -18.041 -3.323 -1.428
G5P C4F C CH1 0.000 -18.060 -5.189 -0.346
G5P H1 H H 0.000 -17.388 -5.765 0.306
G5P C3F C CH1 0.000 -18.518 -6.062 -1.530
G5P "H3'" H H 0.000 -18.271 -5.575 -2.484
G5P O3F O OH1 0.000 -17.922 -7.359 -1.463
G5P H4 H H 0.000 -18.267 -7.909 -2.180
G5P C2F C CH1 0.000 -20.055 -6.162 -1.353
G5P "H2'" H H 0.000 -20.571 -5.424 -1.984
G5P O2F O OH1 0.000 -20.516 -7.484 -1.635
G5P H3 H H 0.000 -20.396 -7.672 -2.576
G5P C1F C CH1 0.000 -20.232 -5.824 0.150
G5P H2 H H 0.000 -20.033 -6.708 0.771
G5P O4F O O2 0.000 -19.237 -4.804 0.385
G5P N9A N NR5 0.000 -21.576 -5.303 0.410
G5P C8A C CR15 0.000 -21.954 -3.995 0.377
G5P H5 H H 0.000 -21.298 -3.164 0.150
G5P N7A N NRD5 0.000 -23.221 -3.891 0.658
G5P C5A C CR56 0.000 -23.734 -5.123 0.889
G5P C4A C CR56 0.000 -22.685 -6.045 0.728
G5P C6A C CR6 0.000 -25.006 -5.617 1.226
G5P N6A N NH2 0.000 -26.078 -4.757 1.392
G5P HN62 H H 0.000 -26.995 -5.118 1.636
G5P HN61 H H 0.000 -25.959 -3.756 1.273
G5P N1A N NRD6 0.000 -25.155 -6.928 1.380
G5P C2A C CR16 0.000 -24.138 -7.756 1.223
G5P H6 H H 0.000 -24.304 -8.818 1.358
G5P N3A N NRD6 0.000 -22.930 -7.339 0.908
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
G5P O6 n/a C6 START
G5P C6 O6 N1 .
G5P N1 C6 C2 .
G5P HN1 N1 . .
G5P C2 N1 N3 .
G5P N2 C2 HN21 .
G5P HN22 N2 . .
G5P HN21 N2 . .
G5P N3 C2 C4 .
G5P C4 N3 N9 .
G5P C5 C4 N7 .
G5P N7 C5 C8 .
G5P C8 N7 H8 .
G5P H8 C8 . .
G5P N9 C4 "C1'" .
G5P "C1'" N9 "C2'" .
G5P "H1'" "C1'" . .
G5P "O4'" "C1'" . .
G5P "C2'" "C1'" "C3'" .
G5P H10 "C2'" . .
G5P "O2'" "C2'" H11 .
G5P H11 "O2'" . .
G5P "C3'" "C2'" "C4'" .
G5P H7 "C3'" . .
G5P "O3'" "C3'" H9 .
G5P H9 "O3'" . .
G5P "C4'" "C3'" "C5'" .
G5P "H4'" "C4'" . .
G5P "C5'" "C4'" "O5'" .
G5P "H5'1" "C5'" . .
G5P "H5'2" "C5'" . .
G5P "O5'" "C5'" PA .
G5P PA "O5'" O3A .
G5P O1A PA . .
G5P O2A PA . .
G5P O3A PA PB .
G5P PB O3A O3B .
G5P O1B PB . .
G5P O2B PB . .
G5P O3B PB PG .
G5P PG O3B O3G .
G5P O1G PG . .
G5P O2G PG . .
G5P O3G PG PD .
G5P PD O3G O3D .
G5P O1D PD . .
G5P O2D PD . .
G5P O3D PD PE .
G5P PE O3D O5F .
G5P O1E PE . .
G5P O2E PE . .
G5P O5F PE C5F .
G5P C5F O5F C4F .
G5P H11X C5F . .
G5P H12 C5F . .
G5P C4F C5F C3F .
G5P H1 C4F . .
G5P C3F C4F C2F .
G5P "H3'" C3F . .
G5P O3F C3F H4 .
G5P H4 O3F . .
G5P C2F C3F C1F .
G5P "H2'" C2F . .
G5P O2F C2F H3 .
G5P H3 O2F . .
G5P C1F C2F N9A .
G5P H2 C1F . .
G5P O4F C1F . .
G5P N9A C1F C8A .
G5P C8A N9A N7A .
G5P H5 C8A . .
G5P N7A C8A C5A .
G5P C5A N7A C6A .
G5P C4A C5A . .
G5P C6A C5A N1A .
G5P N6A C6A HN61 .
G5P HN62 N6A . .
G5P HN61 N6A . .
G5P N1A C6A C2A .
G5P C2A N1A N3A .
G5P H6 C2A . .
G5P N3A C2A . END
G5P "C4'" "O4'" . ADD
G5P N9 C8 . ADD
G5P C5 C6 . ADD
G5P C4F O4F . ADD
G5P N9A C4A . ADD
G5P C4A N3A . 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
G5P O1E PE deloc 1.510 0.020
G5P O2E PE deloc 1.510 0.020
G5P PE O3D single 1.610 0.020
G5P O5F PE single 1.610 0.020
G5P O1D PD deloc 1.510 0.020
G5P O2D PD deloc 1.510 0.020
G5P O3D PD single 1.610 0.020
G5P PD O3G single 1.610 0.020
G5P O1G PG deloc 1.510 0.020
G5P O2G PG deloc 1.510 0.020
G5P O3G PG single 1.610 0.020
G5P PG O3B single 1.610 0.020
G5P O1B PB deloc 1.510 0.020
G5P O2B PB deloc 1.510 0.020
G5P O3B PB single 1.610 0.020
G5P PB O3A single 1.610 0.020
G5P O3A PA single 1.610 0.020
G5P O1A PA deloc 1.510 0.020
G5P O2A PA deloc 1.510 0.020
G5P PA "O5'" single 1.610 0.020
G5P "O5'" "C5'" single 1.426 0.020
G5P "C5'" "C4'" single 1.524 0.020
G5P "H5'1" "C5'" single 1.092 0.020
G5P "H5'2" "C5'" single 1.092 0.020
G5P "C4'" "O4'" single 1.426 0.020
G5P "C4'" "C3'" single 1.524 0.020
G5P "H4'" "C4'" single 1.099 0.020
G5P "O4'" "C1'" single 1.426 0.020
G5P "O3'" "C3'" single 1.432 0.020
G5P "C3'" "C2'" single 1.524 0.020
G5P H7 "C3'" single 1.099 0.020
G5P H9 "O3'" single 0.967 0.020
G5P "O2'" "C2'" single 1.432 0.020
G5P "C2'" "C1'" single 1.524 0.020
G5P H10 "C2'" single 1.099 0.020
G5P H11 "O2'" single 0.967 0.020
G5P "C1'" N9 single 1.485 0.020
G5P "H1'" "C1'" single 1.099 0.020
G5P N9 C8 single 1.337 0.020
G5P N9 C4 single 1.337 0.020
G5P C8 N7 double 1.350 0.020
G5P H8 C8 single 1.083 0.020
G5P N7 C5 single 1.350 0.020
G5P C5 C6 single 1.490 0.020
G5P C5 C4 double 1.490 0.020
G5P C6 O6 double 1.250 0.020
G5P N1 C6 single 1.337 0.020
G5P C2 N1 single 1.337 0.020
G5P HN1 N1 single 1.040 0.020
G5P N2 C2 single 1.355 0.020
G5P N3 C2 double 1.350 0.020
G5P HN21 N2 single 1.010 0.020
G5P HN22 N2 single 1.010 0.020
G5P C4 N3 single 1.355 0.020
G5P C5F O5F single 1.426 0.020
G5P C4F C5F single 1.524 0.020
G5P H11X C5F single 1.092 0.020
G5P H12 C5F single 1.092 0.020
G5P C4F O4F single 1.426 0.020
G5P C3F C4F single 1.524 0.020
G5P H1 C4F single 1.099 0.020
G5P O4F C1F single 1.426 0.020
G5P C1F C2F single 1.524 0.020
G5P N9A C1F single 1.485 0.020
G5P H2 C1F single 1.099 0.020
G5P O2F C2F single 1.432 0.020
G5P C2F C3F single 1.524 0.020
G5P "H2'" C2F single 1.099 0.020
G5P H3 O2F single 0.967 0.020
G5P O3F C3F single 1.432 0.020
G5P "H3'" C3F single 1.099 0.020
G5P H4 O3F single 0.967 0.020
G5P N9A C4A single 1.337 0.020
G5P C8A N9A single 1.337 0.020
G5P C4A N3A single 1.355 0.020
G5P C4A C5A double 1.490 0.020
G5P N3A C2A double 1.337 0.020
G5P C2A N1A single 1.337 0.020
G5P H6 C2A single 1.083 0.020
G5P N1A C6A double 1.350 0.020
G5P N6A C6A single 1.355 0.020
G5P C6A C5A single 1.490 0.020
G5P HN61 N6A single 1.010 0.020
G5P HN62 N6A single 1.010 0.020
G5P C5A N7A single 1.350 0.020
G5P N7A C8A double 1.350 0.020
G5P H5 C8A 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
G5P O6 C6 N1 120.000 3.000
G5P O6 C6 C5 120.000 3.000
G5P N1 C6 C5 120.000 3.000
G5P C6 N1 HN1 120.000 3.000
G5P C6 N1 C2 120.000 3.000
G5P HN1 N1 C2 120.000 3.000
G5P N1 C2 N2 120.000 3.000
G5P N1 C2 N3 120.000 3.000
G5P N2 C2 N3 120.000 3.000
G5P C2 N2 HN22 120.000 3.000
G5P C2 N2 HN21 120.000 3.000
G5P HN22 N2 HN21 120.000 3.000
G5P C2 N3 C4 120.000 3.000
G5P N3 C4 C5 120.000 3.000
G5P N3 C4 N9 132.000 3.000
G5P C5 C4 N9 108.000 3.000
G5P C4 C5 N7 108.000 3.000
G5P C4 C5 C6 120.000 3.000
G5P N7 C5 C6 132.000 3.000
G5P C5 N7 C8 108.000 3.000
G5P N7 C8 H8 126.000 3.000
G5P N7 C8 N9 108.000 3.000
G5P H8 C8 N9 126.000 3.000
G5P C4 N9 "C1'" 126.000 3.000
G5P C4 N9 C8 108.000 3.000
G5P "C1'" N9 C8 126.000 3.000
G5P N9 "C1'" "H1'" 109.470 3.000
G5P N9 "C1'" "O4'" 109.470 3.000
G5P N9 "C1'" "C2'" 109.470 3.000
G5P "H1'" "C1'" "O4'" 109.470 3.000
G5P "H1'" "C1'" "C2'" 108.340 3.000
G5P "O4'" "C1'" "C2'" 109.470 3.000
G5P "C1'" "O4'" "C4'" 111.800 3.000
G5P "C1'" "C2'" H10 108.340 3.000
G5P "C1'" "C2'" "O2'" 109.470 3.000
G5P "C1'" "C2'" "C3'" 111.000 3.000
G5P H10 "C2'" "O2'" 109.470 3.000
G5P H10 "C2'" "C3'" 108.340 3.000
G5P "O2'" "C2'" "C3'" 109.470 3.000
G5P "C2'" "O2'" H11 109.470 3.000
G5P "C2'" "C3'" H7 108.340 3.000
G5P "C2'" "C3'" "O3'" 109.470 3.000
G5P "C2'" "C3'" "C4'" 111.000 3.000
G5P H7 "C3'" "O3'" 109.470 3.000
G5P H7 "C3'" "C4'" 108.340 3.000
G5P "O3'" "C3'" "C4'" 109.470 3.000
G5P "C3'" "O3'" H9 109.470 3.000
G5P "C3'" "C4'" "H4'" 108.340 3.000
G5P "C3'" "C4'" "C5'" 111.000 3.000
G5P "C3'" "C4'" "O4'" 109.470 3.000
G5P "H4'" "C4'" "C5'" 108.340 3.000
G5P "H4'" "C4'" "O4'" 109.470 3.000
G5P "C5'" "C4'" "O4'" 109.470 3.000
G5P "C4'" "C5'" "H5'1" 109.470 3.000
G5P "C4'" "C5'" "H5'2" 109.470 3.000
G5P "C4'" "C5'" "O5'" 109.470 3.000
G5P "H5'1" "C5'" "H5'2" 107.900 3.000
G5P "H5'1" "C5'" "O5'" 109.470 3.000
G5P "H5'2" "C5'" "O5'" 109.470 3.000
G5P "C5'" "O5'" PA 120.500 3.000
G5P "O5'" PA O1A 108.200 3.000
G5P "O5'" PA O2A 108.200 3.000
G5P "O5'" PA O3A 102.600 3.000
G5P O1A PA O2A 119.900 3.000
G5P O1A PA O3A 108.200 3.000
G5P O2A PA O3A 108.200 3.000
G5P PA O3A PB 120.500 3.000
G5P O3A PB O1B 108.200 3.000
G5P O3A PB O2B 108.200 3.000
G5P O3A PB O3B 102.600 3.000
G5P O1B PB O2B 119.900 3.000
G5P O1B PB O3B 108.200 3.000
G5P O2B PB O3B 108.200 3.000
G5P PB O3B PG 120.500 3.000
G5P O3B PG O1G 108.200 3.000
G5P O3B PG O2G 108.200 3.000
G5P O3B PG O3G 102.600 3.000
G5P O1G PG O2G 119.900 3.000
G5P O1G PG O3G 108.200 3.000
G5P O2G PG O3G 108.200 3.000
G5P PG O3G PD 120.500 3.000
G5P O3G PD O1D 108.200 3.000
G5P O3G PD O2D 108.200 3.000
G5P O3G PD O3D 102.600 3.000
G5P O1D PD O2D 119.900 3.000
G5P O1D PD O3D 108.200 3.000
G5P O2D PD O3D 108.200 3.000
G5P PD O3D PE 120.500 3.000
G5P O3D PE O1E 108.200 3.000
G5P O3D PE O2E 108.200 3.000
G5P O3D PE O5F 102.600 3.000
G5P O1E PE O2E 119.900 3.000
G5P O1E PE O5F 108.200 3.000
G5P O2E PE O5F 108.200 3.000
G5P PE O5F C5F 120.500 3.000
G5P O5F C5F H11X 109.470 3.000
G5P O5F C5F H12 109.470 3.000
G5P O5F C5F C4F 109.470 3.000
G5P H11X C5F H12 107.900 3.000
G5P H11X C5F C4F 109.470 3.000
G5P H12 C5F C4F 109.470 3.000
G5P C5F C4F H1 108.340 3.000
G5P C5F C4F C3F 111.000 3.000
G5P C5F C4F O4F 109.470 3.000
G5P H1 C4F C3F 108.340 3.000
G5P H1 C4F O4F 109.470 3.000
G5P C3F C4F O4F 109.470 3.000
G5P C4F C3F "H3'" 108.340 3.000
G5P C4F C3F O3F 109.470 3.000
G5P C4F C3F C2F 111.000 3.000
G5P "H3'" C3F O3F 109.470 3.000
G5P "H3'" C3F C2F 108.340 3.000
G5P O3F C3F C2F 109.470 3.000
G5P C3F O3F H4 109.470 3.000
G5P C3F C2F "H2'" 108.340 3.000
G5P C3F C2F O2F 109.470 3.000
G5P C3F C2F C1F 111.000 3.000
G5P "H2'" C2F O2F 109.470 3.000
G5P "H2'" C2F C1F 108.340 3.000
G5P O2F C2F C1F 109.470 3.000
G5P C2F O2F H3 109.470 3.000
G5P C2F C1F H2 108.340 3.000
G5P C2F C1F O4F 109.470 3.000
G5P C2F C1F N9A 109.470 3.000
G5P H2 C1F O4F 109.470 3.000
G5P H2 C1F N9A 109.470 3.000
G5P O4F C1F N9A 109.470 3.000
G5P C1F O4F C4F 111.800 3.000
G5P C1F N9A C8A 126.000 3.000
G5P C1F N9A C4A 126.000 3.000
G5P C8A N9A C4A 108.000 3.000
G5P N9A C8A H5 126.000 3.000
G5P N9A C8A N7A 108.000 3.000
G5P H5 C8A N7A 126.000 3.000
G5P C8A N7A C5A 108.000 3.000
G5P N7A C5A C4A 108.000 3.000
G5P N7A C5A C6A 132.000 3.000
G5P C4A C5A C6A 120.000 3.000
G5P C5A C4A N9A 108.000 3.000
G5P C5A C4A N3A 120.000 3.000
G5P N9A C4A N3A 132.000 3.000
G5P C5A C6A N6A 120.000 3.000
G5P C5A C6A N1A 120.000 3.000
G5P N6A C6A N1A 120.000 3.000
G5P C6A N6A HN62 120.000 3.000
G5P C6A N6A HN61 120.000 3.000
G5P HN62 N6A HN61 120.000 3.000
G5P C6A N1A C2A 120.000 3.000
G5P N1A C2A H6 120.000 3.000
G5P N1A C2A N3A 120.000 3.000
G5P H6 C2A N3A 120.000 3.000
G5P C2A N3A C4A 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
G5P CONST_1 O6 C6 N1 C2 180.000 0.000 0
G5P CONST_2 C6 N1 C2 N3 0.000 0.000 0
G5P CONST_3 N1 C2 N2 HN21 179.690 0.000 0
G5P CONST_4 N1 C2 N3 C4 0.000 0.000 0
G5P CONST_5 C2 N3 C4 N9 180.000 0.000 0
G5P CONST_6 N3 C4 C5 N7 180.000 0.000 0
G5P CONST_7 C4 C5 C6 O6 180.000 0.000 0
G5P CONST_8 C4 C5 N7 C8 0.000 0.000 0
G5P CONST_9 C5 N7 C8 N9 0.000 0.000 0
G5P CONST_10 N3 C4 N9 "C1'" 0.000 0.000 0
G5P CONST_11 C4 N9 C8 N7 0.000 0.000 0
G5P var_1 C4 N9 "C1'" "C2'" 86.533 20.000 1
G5P var_2 N9 "C1'" "O4'" "C4'" -150.000 20.000 1
G5P var_3 N9 "C1'" "C2'" "C3'" 150.000 20.000 3
G5P var_4 "C1'" "C2'" "O2'" H11 -176.142 20.000 1
G5P var_5 "C1'" "C2'" "C3'" "C4'" 0.000 20.000 3
G5P var_6 "C2'" "C3'" "O3'" H9 65.313 20.000 1
G5P var_7 "C2'" "C3'" "C4'" "C5'" -150.000 20.000 3
G5P var_8 "C3'" "C4'" "O4'" "C1'" 30.000 20.000 1
G5P var_9 "C3'" "C4'" "C5'" "O5'" -178.053 20.000 3
G5P var_10 "C4'" "C5'" "O5'" PA -179.989 20.000 1
G5P var_11 "C5'" "O5'" PA O3A 174.962 20.000 1
G5P var_12 "O5'" PA O3A PB -160.043 20.000 1
G5P var_13 PA O3A PB O3B 164.987 20.000 1
G5P var_14 O3A PB O3B PG -159.985 20.000 1
G5P var_15 PB O3B PG O3G 165.037 20.000 1
G5P var_16 O3B PG O3G PD -160.006 20.000 1
G5P var_17 PG O3G PD O3D -159.989 20.000 1
G5P var_18 O3G PD O3D PE 165.018 20.000 1
G5P var_19 PD O3D PE O5F 164.968 20.000 1
G5P var_20 O3D PE O5F C5F -175.039 20.000 1
G5P var_21 PE O5F C5F C4F 180.000 20.000 1
G5P var_22 O5F C5F C4F C3F -175.286 20.000 3
G5P var_23 C5F C4F O4F C1F 150.000 20.000 1
G5P var_24 C5F C4F C3F C2F -120.000 20.000 3
G5P var_25 C4F C3F O3F H4 176.225 20.000 1
G5P var_26 C4F C3F C2F C1F -30.000 20.000 3
G5P var_27 C3F C2F O2F H3 -67.336 20.000 1
G5P var_28 C3F C2F C1F N9A 150.000 20.000 3
G5P var_29 C2F C1F O4F C4F -30.000 20.000 1
G5P var_30 C2F C1F N9A C8A -90.550 20.000 1
G5P CONST_12 C1F N9A C4A C5A 180.000 0.000 0
G5P CONST_13 C1F N9A C8A N7A 180.000 0.000 0
G5P CONST_14 N9A C8A N7A C5A 0.000 0.000 0
G5P CONST_15 C8A N7A C5A C6A 180.000 0.000 0
G5P CONST_16 N7A C5A C4A N9A 0.000 0.000 0
G5P CONST_17 C5A C4A N3A C2A 0.000 0.000 0
G5P CONST_18 N7A C5A C6A N1A 180.000 0.000 0
G5P CONST_19 C5A C6A N6A HN61 0.015 0.000 0
G5P CONST_20 C5A C6A N1A C2A 0.000 0.000 0
G5P CONST_21 C6A N1A C2A N3A 0.000 0.000 0
G5P CONST_22 N1A C2A N3A C4A 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
G5P chir_01 "C4'" "C5'" "O4'" "C3'" negativ
G5P chir_02 "C3'" "C4'" "O3'" "C2'" negativ
G5P chir_03 "C2'" "C3'" "O2'" "C1'" negativ
G5P chir_04 "C1'" "O4'" "C2'" N9 positiv
G5P chir_05 C4F C5F O4F C3F negativ
G5P chir_06 C1F O4F C2F N9A positiv
G5P chir_07 C2F C1F O2F C3F positiv
G5P chir_08 C3F C4F C2F O3F 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
G5P plan-1 N9 0.020
G5P plan-1 "C1'" 0.020
G5P plan-1 C8 0.020
G5P plan-1 C4 0.020
G5P plan-1 N7 0.020
G5P plan-1 H8 0.020
G5P plan-1 C5 0.020
G5P plan-1 C6 0.020
G5P plan-1 N1 0.020
G5P plan-1 C2 0.020
G5P plan-1 N3 0.020
G5P plan-1 O6 0.020
G5P plan-1 HN1 0.020
G5P plan-1 N2 0.020
G5P plan-1 HN22 0.020
G5P plan-1 HN21 0.020
G5P plan-2 N2 0.020
G5P plan-2 C2 0.020
G5P plan-2 HN21 0.020
G5P plan-2 HN22 0.020
G5P plan-3 N9A 0.020
G5P plan-3 C1F 0.020
G5P plan-3 C4A 0.020
G5P plan-3 C8A 0.020
G5P plan-3 N7A 0.020
G5P plan-3 N3A 0.020
G5P plan-3 C5A 0.020
G5P plan-3 C2A 0.020
G5P plan-3 N1A 0.020
G5P plan-3 C6A 0.020
G5P plan-3 H6 0.020
G5P plan-3 N6A 0.020
G5P plan-3 H5 0.020
G5P plan-3 HN62 0.020
G5P plan-3 HN61 0.020
G5P plan-4 N6A 0.020
G5P plan-4 C6A 0.020
G5P plan-4 HN61 0.020
G5P plan-4 HN62 0.020
# ------------------------------------------------------
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