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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
ZMP ZMP '({(3S)-3-hydroxy-2,2-dimethyl-4-oxo-' non-polymer 84 36 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_ZMP
#
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
ZMP O1 O O 0.000 0.000 0.000 0.000
ZMP C10 C C 0.000 0.108 0.584 -1.058
ZMP C9 C CH2 0.000 1.373 0.452 -1.867
ZMP H9 H H 0.000 1.827 1.436 -1.997
ZMP H9A H H 0.000 1.137 0.029 -2.846
ZMP C8 C CH2 0.000 2.351 -0.470 -1.135
ZMP H8 H H 0.000 1.896 -1.454 -1.005
ZMP H8A H H 0.000 2.587 -0.046 -0.157
ZMP C7 C CH2 0.000 3.636 -0.605 -1.957
ZMP H7 H H 0.000 4.089 0.379 -2.087
ZMP H7A H H 0.000 3.398 -1.028 -2.935
ZMP C6 C CH2 0.000 4.613 -1.527 -1.226
ZMP H6 H H 0.000 4.157 -2.511 -1.096
ZMP H6A H H 0.000 4.849 -1.104 -0.247
ZMP C5 C CH2 0.000 5.898 -1.662 -2.047
ZMP H5 H H 0.000 6.351 -0.678 -2.177
ZMP H5A H H 0.000 5.660 -2.085 -3.026
ZMP C4 C CH2 0.000 6.875 -2.584 -1.316
ZMP H4 H H 0.000 6.419 -3.567 -1.187
ZMP H4A H H 0.000 7.110 -2.161 -0.337
ZMP C3 C CH2 0.000 8.160 -2.719 -2.137
ZMP H3 H H 0.000 8.613 -1.735 -2.267
ZMP H3A H H 0.000 7.922 -3.141 -3.116
ZMP C2 C CH2 0.000 9.137 -3.641 -1.406
ZMP H2 H H 0.000 8.682 -4.625 -1.276
ZMP H2A H H 0.000 9.373 -3.218 -0.427
ZMP C1 C CH2 0.000 10.422 -3.776 -2.227
ZMP H1 H H 0.000 10.876 -2.792 -2.358
ZMP H1A H H 0.000 10.184 -4.199 -3.206
ZMP C22 C CH2 0.000 11.399 -4.698 -1.497
ZMP H22 H H 0.000 10.944 -5.682 -1.367
ZMP H22A H H 0.000 11.635 -4.275 -0.517
ZMP C23 C CH2 0.000 12.684 -4.832 -2.318
ZMP H23 H H 0.000 13.137 -3.847 -2.448
ZMP H23A H H 0.000 12.447 -5.255 -3.297
ZMP C24 C CH2 0.000 13.663 -5.754 -1.586
ZMP H24 H H 0.000 13.207 -6.738 -1.456
ZMP H24A H H 0.000 13.898 -5.331 -0.608
ZMP C25 C CH3 0.000 14.946 -5.889 -2.408
ZMP H25B H H 0.000 15.390 -4.935 -2.535
ZMP H25A H H 0.000 15.627 -6.527 -1.904
ZMP H25 H H 0.000 14.720 -6.300 -3.358
ZMP S1 S S2 0.000 -1.176 1.562 -1.631
ZMP C11 C CH2 0.000 -2.367 1.335 -0.288
ZMP H11 H H 0.000 -1.927 1.682 0.650
ZMP H11A H H 0.000 -2.618 0.276 -0.200
ZMP C12 C CH2 0.000 -3.634 2.139 -0.588
ZMP H12 H H 0.000 -4.071 1.791 -1.526
ZMP H12A H H 0.000 -3.380 3.197 -0.677
ZMP N1 N NH1 0.000 -4.597 1.956 0.500
ZMP HN1 H H 0.000 -4.365 1.367 1.288
ZMP C13 C C 0.000 -5.795 2.574 0.451
ZMP O2 O O 0.000 -6.074 3.281 -0.495
ZMP C14 C CH2 0.000 -6.785 2.386 1.570
ZMP H14 H H 0.000 -6.346 2.734 2.507
ZMP H14A H H 0.000 -7.037 1.327 1.658
ZMP C15 C CH2 0.000 -8.052 3.189 1.269
ZMP H15 H H 0.000 -8.490 2.841 0.331
ZMP H15A H H 0.000 -7.799 4.248 1.179
ZMP N2 N NH1 0.000 -9.017 3.007 2.357
ZMP HN2 H H 0.000 -8.785 2.418 3.144
ZMP C16 C C 0.000 -10.213 3.624 2.308
ZMP O3 O O 0.000 -10.530 4.256 1.321
ZMP C17 C CH1 0.000 -11.158 3.531 3.478
ZMP H17 H H 0.000 -10.613 3.747 4.408
ZMP O4 O OH1 0.000 -12.215 4.479 3.314
ZMP HO4 H H 0.000 -12.694 4.289 2.497
ZMP C18 C CT 0.000 -11.746 2.120 3.548
ZMP C20 C CH3 0.000 -10.632 1.119 3.860
ZMP H20B H H 0.000 -10.107 1.431 4.726
ZMP H20A H H 0.000 -11.053 0.161 4.031
ZMP H20 H H 0.000 -9.961 1.067 3.041
ZMP C19 C CH3 0.000 -12.806 2.063 4.649
ZMP H19B H H 0.000 -12.354 2.256 5.587
ZMP H19A H H 0.000 -13.552 2.791 4.461
ZMP H19 H H 0.000 -13.250 1.101 4.664
ZMP C21 C CH2 0.000 -12.386 1.767 2.204
ZMP H21 H H 0.000 -11.628 1.809 1.419
ZMP H21A H H 0.000 -13.180 2.483 1.981
ZMP O5 O O2 0.000 -12.934 0.450 2.269
ZMP P1 P P 1.000 -13.687 -0.068 0.811
ZMP HP1 H H 0.000 -12.444 -0.257 0.234
ZMP O7 O OP -1.000 -14.020 -1.587 0.596
ZMP O6 O OP 0.000 -14.047 0.980 -0.302
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
ZMP O1 n/a C10 START
ZMP C10 O1 S1 .
ZMP C9 C10 C8 .
ZMP H9 C9 . .
ZMP H9A C9 . .
ZMP C8 C9 C7 .
ZMP H8 C8 . .
ZMP H8A C8 . .
ZMP C7 C8 C6 .
ZMP H7 C7 . .
ZMP H7A C7 . .
ZMP C6 C7 C5 .
ZMP H6 C6 . .
ZMP H6A C6 . .
ZMP C5 C6 C4 .
ZMP H5 C5 . .
ZMP H5A C5 . .
ZMP C4 C5 C3 .
ZMP H4 C4 . .
ZMP H4A C4 . .
ZMP C3 C4 C2 .
ZMP H3 C3 . .
ZMP H3A C3 . .
ZMP C2 C3 C1 .
ZMP H2 C2 . .
ZMP H2A C2 . .
ZMP C1 C2 C22 .
ZMP H1 C1 . .
ZMP H1A C1 . .
ZMP C22 C1 C23 .
ZMP H22 C22 . .
ZMP H22A C22 . .
ZMP C23 C22 C24 .
ZMP H23 C23 . .
ZMP H23A C23 . .
ZMP C24 C23 C25 .
ZMP H24 C24 . .
ZMP H24A C24 . .
ZMP C25 C24 H25 .
ZMP H25B C25 . .
ZMP H25A C25 . .
ZMP H25 C25 . .
ZMP S1 C10 C11 .
ZMP C11 S1 C12 .
ZMP H11 C11 . .
ZMP H11A C11 . .
ZMP C12 C11 N1 .
ZMP H12 C12 . .
ZMP H12A C12 . .
ZMP N1 C12 C13 .
ZMP HN1 N1 . .
ZMP C13 N1 C14 .
ZMP O2 C13 . .
ZMP C14 C13 C15 .
ZMP H14 C14 . .
ZMP H14A C14 . .
ZMP C15 C14 N2 .
ZMP H15 C15 . .
ZMP H15A C15 . .
ZMP N2 C15 C16 .
ZMP HN2 N2 . .
ZMP C16 N2 C17 .
ZMP O3 C16 . .
ZMP C17 C16 C18 .
ZMP H17 C17 . .
ZMP O4 C17 HO4 .
ZMP HO4 O4 . .
ZMP C18 C17 C21 .
ZMP C20 C18 H20 .
ZMP H20B C20 . .
ZMP H20A C20 . .
ZMP H20 C20 . .
ZMP C19 C18 H19 .
ZMP H19B C19 . .
ZMP H19A C19 . .
ZMP H19 C19 . .
ZMP C21 C18 O5 .
ZMP H21 C21 . .
ZMP H21A C21 . .
ZMP O5 C21 P1 .
ZMP P1 O5 O6 .
ZMP HP1 P1 . .
ZMP O7 P1 . .
ZMP O6 P1 . END
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
ZMP O7 P1 single 1.610 0.020
ZMP O6 P1 double 1.480 0.020
ZMP P1 O5 single 1.610 0.020
ZMP O5 C21 single 1.426 0.020
ZMP C21 C18 single 1.524 0.020
ZMP C19 C18 single 1.524 0.020
ZMP C20 C18 single 1.524 0.020
ZMP C18 C17 single 1.524 0.020
ZMP O4 C17 single 1.432 0.020
ZMP C17 C16 single 1.500 0.020
ZMP O3 C16 double 1.220 0.020
ZMP C16 N2 single 1.330 0.020
ZMP N2 C15 single 1.450 0.020
ZMP C15 C14 single 1.524 0.020
ZMP C14 C13 single 1.510 0.020
ZMP O2 C13 double 1.220 0.020
ZMP C13 N1 single 1.330 0.020
ZMP N1 C12 single 1.450 0.020
ZMP C12 C11 single 1.524 0.020
ZMP C11 S1 single 1.762 0.020
ZMP S1 C10 single 1.665 0.020
ZMP C10 O1 double 1.220 0.020
ZMP C9 C10 single 1.510 0.020
ZMP C8 C9 single 1.524 0.020
ZMP C7 C8 single 1.524 0.020
ZMP C6 C7 single 1.524 0.020
ZMP C5 C6 single 1.524 0.020
ZMP C4 C5 single 1.524 0.020
ZMP C3 C4 single 1.524 0.020
ZMP C2 C3 single 1.524 0.020
ZMP C1 C2 single 1.524 0.020
ZMP C22 C1 single 1.524 0.020
ZMP C23 C22 single 1.524 0.020
ZMP C24 C23 single 1.524 0.020
ZMP C25 C24 single 1.513 0.020
ZMP H21 C21 single 1.092 0.020
ZMP H21A C21 single 1.092 0.020
ZMP H19 C19 single 1.059 0.020
ZMP H19A C19 single 1.059 0.020
ZMP H19B C19 single 1.059 0.020
ZMP H20 C20 single 1.059 0.020
ZMP H20A C20 single 1.059 0.020
ZMP H20B C20 single 1.059 0.020
ZMP H17 C17 single 1.099 0.020
ZMP HO4 O4 single 0.967 0.020
ZMP HN2 N2 single 1.010 0.020
ZMP H15 C15 single 1.092 0.020
ZMP H15A C15 single 1.092 0.020
ZMP H14 C14 single 1.092 0.020
ZMP H14A C14 single 1.092 0.020
ZMP HN1 N1 single 1.010 0.020
ZMP H12 C12 single 1.092 0.020
ZMP H12A C12 single 1.092 0.020
ZMP H11 C11 single 1.092 0.020
ZMP H11A C11 single 1.092 0.020
ZMP H9 C9 single 1.092 0.020
ZMP H9A C9 single 1.092 0.020
ZMP H8 C8 single 1.092 0.020
ZMP H8A C8 single 1.092 0.020
ZMP H7 C7 single 1.092 0.020
ZMP H7A C7 single 1.092 0.020
ZMP H6 C6 single 1.092 0.020
ZMP H6A C6 single 1.092 0.020
ZMP H5 C5 single 1.092 0.020
ZMP H5A C5 single 1.092 0.020
ZMP H4 C4 single 1.092 0.020
ZMP H4A C4 single 1.092 0.020
ZMP H3 C3 single 1.092 0.020
ZMP H3A C3 single 1.092 0.020
ZMP H2 C2 single 1.092 0.020
ZMP H2A C2 single 1.092 0.020
ZMP H1 C1 single 1.092 0.020
ZMP H1A C1 single 1.092 0.020
ZMP H22 C22 single 1.092 0.020
ZMP H22A C22 single 1.092 0.020
ZMP H23 C23 single 1.092 0.020
ZMP H23A C23 single 1.092 0.020
ZMP H24 C24 single 1.092 0.020
ZMP H24A C24 single 1.092 0.020
ZMP H25 C25 single 1.059 0.020
ZMP H25A C25 single 1.059 0.020
ZMP H25B C25 single 1.059 0.020
ZMP HP1 P1 single 1.383 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
ZMP O1 C10 C9 120.500 3.000
ZMP O1 C10 S1 120.000 3.000
ZMP C9 C10 S1 120.000 3.000
ZMP C10 C9 H9 109.470 3.000
ZMP C10 C9 H9A 109.470 3.000
ZMP C10 C9 C8 109.470 3.000
ZMP H9 C9 H9A 107.900 3.000
ZMP H9 C9 C8 109.470 3.000
ZMP H9A C9 C8 109.470 3.000
ZMP C9 C8 H8 109.470 3.000
ZMP C9 C8 H8A 109.470 3.000
ZMP C9 C8 C7 111.000 3.000
ZMP H8 C8 H8A 107.900 3.000
ZMP H8 C8 C7 109.470 3.000
ZMP H8A C8 C7 109.470 3.000
ZMP C8 C7 H7 109.470 3.000
ZMP C8 C7 H7A 109.470 3.000
ZMP C8 C7 C6 111.000 3.000
ZMP H7 C7 H7A 107.900 3.000
ZMP H7 C7 C6 109.470 3.000
ZMP H7A C7 C6 109.470 3.000
ZMP C7 C6 H6 109.470 3.000
ZMP C7 C6 H6A 109.470 3.000
ZMP C7 C6 C5 111.000 3.000
ZMP H6 C6 H6A 107.900 3.000
ZMP H6 C6 C5 109.470 3.000
ZMP H6A C6 C5 109.470 3.000
ZMP C6 C5 H5 109.470 3.000
ZMP C6 C5 H5A 109.470 3.000
ZMP C6 C5 C4 111.000 3.000
ZMP H5 C5 H5A 107.900 3.000
ZMP H5 C5 C4 109.470 3.000
ZMP H5A C5 C4 109.470 3.000
ZMP C5 C4 H4 109.470 3.000
ZMP C5 C4 H4A 109.470 3.000
ZMP C5 C4 C3 111.000 3.000
ZMP H4 C4 H4A 107.900 3.000
ZMP H4 C4 C3 109.470 3.000
ZMP H4A C4 C3 109.470 3.000
ZMP C4 C3 H3 109.470 3.000
ZMP C4 C3 H3A 109.470 3.000
ZMP C4 C3 C2 111.000 3.000
ZMP H3 C3 H3A 107.900 3.000
ZMP H3 C3 C2 109.470 3.000
ZMP H3A C3 C2 109.470 3.000
ZMP C3 C2 H2 109.470 3.000
ZMP C3 C2 H2A 109.470 3.000
ZMP C3 C2 C1 111.000 3.000
ZMP H2 C2 H2A 107.900 3.000
ZMP H2 C2 C1 109.470 3.000
ZMP H2A C2 C1 109.470 3.000
ZMP C2 C1 H1 109.470 3.000
ZMP C2 C1 H1A 109.470 3.000
ZMP C2 C1 C22 111.000 3.000
ZMP H1 C1 H1A 107.900 3.000
ZMP H1 C1 C22 109.470 3.000
ZMP H1A C1 C22 109.470 3.000
ZMP C1 C22 H22 109.470 3.000
ZMP C1 C22 H22A 109.470 3.000
ZMP C1 C22 C23 111.000 3.000
ZMP H22 C22 H22A 107.900 3.000
ZMP H22 C22 C23 109.470 3.000
ZMP H22A C22 C23 109.470 3.000
ZMP C22 C23 H23 109.470 3.000
ZMP C22 C23 H23A 109.470 3.000
ZMP C22 C23 C24 111.000 3.000
ZMP H23 C23 H23A 107.900 3.000
ZMP H23 C23 C24 109.470 3.000
ZMP H23A C23 C24 109.470 3.000
ZMP C23 C24 H24 109.470 3.000
ZMP C23 C24 H24A 109.470 3.000
ZMP C23 C24 C25 111.000 3.000
ZMP H24 C24 H24A 107.900 3.000
ZMP H24 C24 C25 109.470 3.000
ZMP H24A C24 C25 109.470 3.000
ZMP C24 C25 H25B 109.470 3.000
ZMP C24 C25 H25A 109.470 3.000
ZMP C24 C25 H25 109.470 3.000
ZMP H25B C25 H25A 109.470 3.000
ZMP H25B C25 H25 109.470 3.000
ZMP H25A C25 H25 109.470 3.000
ZMP C10 S1 C11 100.010 3.000
ZMP S1 C11 H11 109.500 3.000
ZMP S1 C11 H11A 109.500 3.000
ZMP S1 C11 C12 109.500 3.000
ZMP H11 C11 H11A 107.900 3.000
ZMP H11 C11 C12 109.470 3.000
ZMP H11A C11 C12 109.470 3.000
ZMP C11 C12 H12 109.470 3.000
ZMP C11 C12 H12A 109.470 3.000
ZMP C11 C12 N1 112.000 3.000
ZMP H12 C12 H12A 107.900 3.000
ZMP H12 C12 N1 109.470 3.000
ZMP H12A C12 N1 109.470 3.000
ZMP C12 N1 HN1 118.500 3.000
ZMP C12 N1 C13 121.500 3.000
ZMP HN1 N1 C13 120.000 3.000
ZMP N1 C13 O2 123.000 3.000
ZMP N1 C13 C14 116.500 3.000
ZMP O2 C13 C14 120.500 3.000
ZMP C13 C14 H14 109.470 3.000
ZMP C13 C14 H14A 109.470 3.000
ZMP C13 C14 C15 109.470 3.000
ZMP H14 C14 H14A 107.900 3.000
ZMP H14 C14 C15 109.470 3.000
ZMP H14A C14 C15 109.470 3.000
ZMP C14 C15 H15 109.470 3.000
ZMP C14 C15 H15A 109.470 3.000
ZMP C14 C15 N2 112.000 3.000
ZMP H15 C15 H15A 107.900 3.000
ZMP H15 C15 N2 109.470 3.000
ZMP H15A C15 N2 109.470 3.000
ZMP C15 N2 HN2 118.500 3.000
ZMP C15 N2 C16 121.500 3.000
ZMP HN2 N2 C16 120.000 3.000
ZMP N2 C16 O3 123.000 3.000
ZMP N2 C16 C17 116.500 3.000
ZMP O3 C16 C17 120.500 3.000
ZMP C16 C17 H17 108.810 3.000
ZMP C16 C17 O4 109.470 3.000
ZMP C16 C17 C18 109.470 3.000
ZMP H17 C17 O4 109.470 3.000
ZMP H17 C17 C18 108.340 3.000
ZMP O4 C17 C18 109.470 3.000
ZMP C17 O4 HO4 109.470 3.000
ZMP C17 C18 C20 111.000 3.000
ZMP C17 C18 C19 111.000 3.000
ZMP C17 C18 C21 111.000 3.000
ZMP C20 C18 C19 111.000 3.000
ZMP C20 C18 C21 111.000 3.000
ZMP C19 C18 C21 111.000 3.000
ZMP C18 C20 H20B 109.470 3.000
ZMP C18 C20 H20A 109.470 3.000
ZMP C18 C20 H20 109.470 3.000
ZMP H20B C20 H20A 109.470 3.000
ZMP H20B C20 H20 109.470 3.000
ZMP H20A C20 H20 109.470 3.000
ZMP C18 C19 H19B 109.470 3.000
ZMP C18 C19 H19A 109.470 3.000
ZMP C18 C19 H19 109.470 3.000
ZMP H19B C19 H19A 109.470 3.000
ZMP H19B C19 H19 109.470 3.000
ZMP H19A C19 H19 109.470 3.000
ZMP C18 C21 H21 109.470 3.000
ZMP C18 C21 H21A 109.470 3.000
ZMP C18 C21 O5 109.500 3.000
ZMP H21 C21 H21A 107.900 3.000
ZMP H21 C21 O5 109.470 3.000
ZMP H21A C21 O5 109.470 3.000
ZMP C21 O5 P1 120.500 3.000
ZMP O5 P1 HP1 109.500 3.000
ZMP O5 P1 O7 108.200 3.000
ZMP O5 P1 O6 108.200 3.000
ZMP HP1 P1 O7 109.500 3.000
ZMP HP1 P1 O6 109.500 3.000
ZMP O7 P1 O6 119.900 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
ZMP var_1 O1 C10 C9 C8 0.043 20.000 3
ZMP var_2 C10 C9 C8 C7 179.970 20.000 3
ZMP var_3 C9 C8 C7 C6 -179.980 20.000 3
ZMP var_4 C8 C7 C6 C5 180.000 20.000 3
ZMP var_5 C7 C6 C5 C4 180.000 20.000 3
ZMP var_6 C6 C5 C4 C3 -179.980 20.000 3
ZMP var_7 C5 C4 C3 C2 180.000 20.000 3
ZMP var_8 C4 C3 C2 C1 179.980 20.000 3
ZMP var_9 C3 C2 C1 C22 180.000 20.000 3
ZMP var_10 C2 C1 C22 C23 -179.966 20.000 3
ZMP var_11 C1 C22 C23 C24 179.976 20.000 3
ZMP var_12 C22 C23 C24 C25 179.962 20.000 3
ZMP var_13 C23 C24 C25 H25 -59.986 20.000 3
ZMP var_14 O1 C10 S1 C11 -0.089 20.000 1
ZMP var_15 C10 S1 C11 C12 -179.994 20.000 1
ZMP var_16 S1 C11 C12 N1 -179.964 20.000 3
ZMP var_17 C11 C12 N1 C13 -179.977 20.000 3
ZMP CONST_1 C12 N1 C13 C14 180.000 0.000 0
ZMP var_18 N1 C13 C14 C15 179.998 20.000 3
ZMP var_19 C13 C14 C15 N2 -179.995 20.000 3
ZMP var_20 C14 C15 N2 C16 179.973 20.000 3
ZMP CONST_2 C15 N2 C16 C17 180.000 0.000 0
ZMP var_21 N2 C16 C17 C18 -72.153 20.000 3
ZMP var_22 C16 C17 O4 HO4 60.002 20.000 1
ZMP var_23 C16 C17 C18 C21 -54.448 20.000 1
ZMP var_24 C17 C18 C20 H20 -67.157 20.000 1
ZMP var_25 C17 C18 C19 H19 177.038 20.000 1
ZMP var_26 C17 C18 C21 O5 179.973 20.000 1
ZMP var_27 C18 C21 O5 P1 179.970 20.000 1
ZMP var_28 C21 O5 P1 O6 -15.222 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
ZMP chir_01 C18 C21 C19 C20 negativ
ZMP chir_02 C17 C18 O4 C16 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
ZMP plan-1 C16 0.020
ZMP plan-1 C17 0.020
ZMP plan-1 O3 0.020
ZMP plan-1 N2 0.020
ZMP plan-1 HN2 0.020
ZMP plan-2 N2 0.020
ZMP plan-2 C16 0.020
ZMP plan-2 C15 0.020
ZMP plan-2 HN2 0.020
ZMP plan-3 C13 0.020
ZMP plan-3 C14 0.020
ZMP plan-3 O2 0.020
ZMP plan-3 N1 0.020
ZMP plan-3 HN1 0.020
ZMP plan-4 N1 0.020
ZMP plan-4 C13 0.020
ZMP plan-4 C12 0.020
ZMP plan-4 HN1 0.020
ZMP plan-5 C10 0.020
ZMP plan-5 S1 0.020
ZMP plan-5 O1 0.020
ZMP plan-5 C9 0.020
# ------------------------------------------------------
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