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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
PZN PZN '"3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FUR' non-polymer 85 41 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PZN
#
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
PZN O5 O O 0.000 0.000 0.000 0.000
PZN C17 C CR6 0.000 -0.080 0.969 0.737
PZN C18 C CR6 0.000 0.747 1.063 1.945
PZN N5 N NH1 0.000 1.634 0.046 2.272
PZN HN5 H H 0.000 1.717 -0.764 1.675
PZN C25 C CH2 0.000 2.451 0.149 3.484
PZN H251 H H 0.000 1.799 0.223 4.357
PZN H252 H H 0.000 3.081 1.039 3.424
PZN C26 C CR5 0.000 3.321 -1.076 3.608
PZN N6 N NRD5 0.000 4.517 -1.201 3.115
PZN O6 O O2 0.000 4.983 -2.497 3.455
PZN N7 N NRD5 0.000 3.942 -3.116 4.193
PZN C27 C CR5 0.000 2.967 -2.262 4.282
PZN C28 C CH3 0.000 1.657 -2.505 4.987
PZN H283 H H 0.000 0.893 -1.943 4.515
PZN H282 H H 0.000 1.417 -3.535 4.942
PZN H281 H H 0.000 1.740 -2.206 5.999
PZN N4 N NRD6 0.000 0.634 2.123 2.716
PZN C19 C CR6 0.000 -0.214 3.103 2.407
PZN C20 C CT 0.000 -0.314 4.301 3.317
PZN C22 C CH3 0.000 1.049 4.990 3.403
PZN H223 H H 0.000 0.979 5.833 4.041
PZN H222 H H 0.000 1.765 4.313 3.792
PZN H221 H H 0.000 1.349 5.304 2.437
PZN C21 C CH3 0.000 -0.747 3.847 4.712
PZN H213 H H 0.000 -0.817 4.688 5.353
PZN H212 H H 0.000 -1.691 3.369 4.653
PZN H211 H H 0.000 -0.032 3.167 5.101
PZN C23 C CH3 0.000 -1.347 5.281 2.757
PZN H233 H H 0.000 -1.418 6.124 3.395
PZN H232 H H 0.000 -1.049 5.596 1.790
PZN H231 H H 0.000 -2.291 4.805 2.696
PZN C24 C CR16 0.000 -0.987 3.051 1.302
PZN H24 H H 0.000 -1.666 3.868 1.085
PZN N3 N NR6 0.000 -0.925 1.984 0.454
PZN C14 C CH1 0.000 -1.768 1.938 -0.743
PZN H14 H H 0.000 -2.384 2.847 -0.793
PZN C15 C CH2 0.000 -0.882 1.853 -1.987
PZN H151 H H 0.000 -1.510 1.728 -2.872
PZN H152 H H 0.000 -0.209 0.999 -1.896
PZN C16 C CH3 0.000 -0.063 3.139 -2.119
PZN H163 H H 0.000 0.548 3.262 -1.261
PZN H162 H H 0.000 0.552 3.083 -2.981
PZN H161 H H 0.000 -0.715 3.970 -2.208
PZN C13 C C 0.000 -2.663 0.728 -0.680
PZN O4 O O 0.000 -2.604 -0.022 0.272
PZN N2 N NH1 0.000 -3.532 0.478 -1.681
PZN HN2 H H 0.000 -3.633 1.139 -2.438
PZN C10 C CH1 0.000 -4.329 -0.751 -1.671
PZN H10 H H 0.000 -3.735 -1.569 -1.239
PZN C11 C CH2 0.000 -5.588 -0.536 -0.829
PZN H111 H H 0.000 -5.304 -0.342 0.207
PZN H112 H H 0.000 -6.211 -1.432 -0.873
PZN C12 C C 0.000 -6.357 0.640 -1.369
PZN O3 O OC -0.500 -5.949 1.242 -2.388
PZN O2 O OC -0.500 -7.406 1.017 -0.800
PZN C9 C C 0.000 -4.721 -1.106 -3.081
PZN O1 O O 0.000 -4.616 -0.286 -3.963
PZN C8 C CH2 0.000 -5.247 -2.484 -3.393
PZN H81 H H 0.000 -6.152 -2.668 -2.812
PZN H82 H H 0.000 -4.491 -3.228 -3.133
PZN N1 N NT 0.000 -5.556 -2.578 -4.826
PZN C7 C CH3 0.000 -6.819 -1.858 -5.033
PZN H73 H H 0.000 -7.139 -1.988 -6.034
PZN H72 H H 0.000 -7.555 -2.239 -4.375
PZN H71 H H 0.000 -6.673 -0.827 -4.840
PZN C6 C CH2 0.000 -5.826 -3.994 -5.108
PZN H61 H H 0.000 -6.772 -4.283 -4.645
PZN H62 H H 0.000 -5.020 -4.606 -4.698
PZN C5 C CH2 0.000 -5.911 -4.205 -6.621
PZN H51 H H 0.000 -4.965 -3.915 -7.082
PZN H52 H H 0.000 -6.717 -3.592 -7.029
PZN C4 C CH2 0.000 -6.193 -5.681 -6.915
PZN H41 H H 0.000 -7.139 -5.970 -6.452
PZN H42 H H 0.000 -5.387 -6.293 -6.505
PZN C3 C CH2 0.000 -6.278 -5.892 -8.428
PZN H31 H H 0.000 -5.331 -5.602 -8.889
PZN H32 H H 0.000 -7.083 -5.278 -8.836
PZN C2 C CH2 0.000 -6.559 -7.367 -8.721
PZN H21 H H 0.000 -7.506 -7.655 -8.258
PZN H22 H H 0.000 -5.754 -7.979 -8.311
PZN C1 C CH3 0.000 -6.644 -7.579 -10.234
PZN H13 H H 0.000 -5.726 -7.298 -10.685
PZN H12 H H 0.000 -6.838 -8.600 -10.441
PZN H11 H H 0.000 -7.426 -6.986 -10.634
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
PZN O5 n/a C17 START
PZN C17 O5 N3 .
PZN C18 C17 N4 .
PZN N5 C18 C25 .
PZN HN5 N5 . .
PZN C25 N5 C26 .
PZN H251 C25 . .
PZN H252 C25 . .
PZN C26 C25 N6 .
PZN N6 C26 O6 .
PZN O6 N6 N7 .
PZN N7 O6 C27 .
PZN C27 N7 C28 .
PZN C28 C27 H281 .
PZN H283 C28 . .
PZN H282 C28 . .
PZN H281 C28 . .
PZN N4 C18 C19 .
PZN C19 N4 C24 .
PZN C20 C19 C23 .
PZN C22 C20 H221 .
PZN H223 C22 . .
PZN H222 C22 . .
PZN H221 C22 . .
PZN C21 C20 H211 .
PZN H213 C21 . .
PZN H212 C21 . .
PZN H211 C21 . .
PZN C23 C20 H231 .
PZN H233 C23 . .
PZN H232 C23 . .
PZN H231 C23 . .
PZN C24 C19 H24 .
PZN H24 C24 . .
PZN N3 C17 C14 .
PZN C14 N3 C13 .
PZN H14 C14 . .
PZN C15 C14 C16 .
PZN H151 C15 . .
PZN H152 C15 . .
PZN C16 C15 H161 .
PZN H163 C16 . .
PZN H162 C16 . .
PZN H161 C16 . .
PZN C13 C14 N2 .
PZN O4 C13 . .
PZN N2 C13 C10 .
PZN HN2 N2 . .
PZN C10 N2 C9 .
PZN H10 C10 . .
PZN C11 C10 C12 .
PZN H111 C11 . .
PZN H112 C11 . .
PZN C12 C11 O2 .
PZN O3 C12 . .
PZN O2 C12 . .
PZN C9 C10 C8 .
PZN O1 C9 . .
PZN C8 C9 N1 .
PZN H81 C8 . .
PZN H82 C8 . .
PZN N1 C8 C6 .
PZN C7 N1 H71 .
PZN H73 C7 . .
PZN H72 C7 . .
PZN H71 C7 . .
PZN C6 N1 C5 .
PZN H61 C6 . .
PZN H62 C6 . .
PZN C5 C6 C4 .
PZN H51 C5 . .
PZN H52 C5 . .
PZN C4 C5 C3 .
PZN H41 C4 . .
PZN H42 C4 . .
PZN C3 C4 C2 .
PZN H31 C3 . .
PZN H32 C3 . .
PZN C2 C3 C1 .
PZN H21 C2 . .
PZN H22 C2 . .
PZN C1 C2 H11 .
PZN H13 C1 . .
PZN H12 C1 . .
PZN H11 C1 . END
PZN N3 C24 . ADD
PZN C26 C27 . 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
PZN C1 C2 single 1.513 0.020
PZN H11 C1 single 1.059 0.020
PZN H12 C1 single 1.059 0.020
PZN H13 C1 single 1.059 0.020
PZN C2 C3 single 1.524 0.020
PZN H21 C2 single 1.092 0.020
PZN H22 C2 single 1.092 0.020
PZN C3 C4 single 1.524 0.020
PZN H31 C3 single 1.092 0.020
PZN H32 C3 single 1.092 0.020
PZN C4 C5 single 1.524 0.020
PZN H41 C4 single 1.092 0.020
PZN H42 C4 single 1.092 0.020
PZN C5 C6 single 1.524 0.020
PZN H51 C5 single 1.092 0.020
PZN H52 C5 single 1.092 0.020
PZN C6 N1 single 1.469 0.020
PZN H61 C6 single 1.092 0.020
PZN H62 C6 single 1.092 0.020
PZN C7 N1 single 1.469 0.020
PZN N1 C8 single 1.469 0.020
PZN H71 C7 single 1.059 0.020
PZN H72 C7 single 1.059 0.020
PZN H73 C7 single 1.059 0.020
PZN C8 C9 single 1.510 0.020
PZN H81 C8 single 1.092 0.020
PZN H82 C8 single 1.092 0.020
PZN O1 C9 double 1.220 0.020
PZN C9 C10 single 1.500 0.020
PZN C10 N2 single 1.450 0.020
PZN C11 C10 single 1.524 0.020
PZN H10 C10 single 1.099 0.020
PZN N2 C13 single 1.330 0.020
PZN HN2 N2 single 1.010 0.020
PZN C12 C11 single 1.510 0.020
PZN H111 C11 single 1.092 0.020
PZN H112 C11 single 1.092 0.020
PZN O2 C12 deloc 1.250 0.020
PZN O3 C12 deloc 1.250 0.020
PZN C13 C14 single 1.500 0.020
PZN O4 C13 double 1.220 0.020
PZN C15 C14 single 1.524 0.020
PZN C14 N3 single 1.465 0.020
PZN H14 C14 single 1.099 0.020
PZN C16 C15 single 1.513 0.020
PZN H151 C15 single 1.092 0.020
PZN H152 C15 single 1.092 0.020
PZN H161 C16 single 1.059 0.020
PZN H162 C16 single 1.059 0.020
PZN H163 C16 single 1.059 0.020
PZN N3 C24 single 1.337 0.020
PZN N3 C17 single 1.410 0.020
PZN N4 C18 double 1.350 0.020
PZN C18 C17 single 1.487 0.020
PZN N5 C18 single 1.350 0.020
PZN C19 N4 single 1.350 0.020
PZN C24 C19 double 1.390 0.020
PZN C20 C19 single 1.500 0.020
PZN H24 C24 single 1.083 0.020
PZN C17 O5 double 1.250 0.020
PZN C23 C20 single 1.524 0.020
PZN C21 C20 single 1.524 0.020
PZN C22 C20 single 1.524 0.020
PZN H231 C23 single 1.059 0.020
PZN H232 C23 single 1.059 0.020
PZN H233 C23 single 1.059 0.020
PZN H211 C21 single 1.059 0.020
PZN H212 C21 single 1.059 0.020
PZN H213 C21 single 1.059 0.020
PZN H221 C22 single 1.059 0.020
PZN H222 C22 single 1.059 0.020
PZN H223 C22 single 1.059 0.020
PZN C25 N5 single 1.450 0.020
PZN HN5 N5 single 1.010 0.020
PZN C26 C25 single 1.510 0.020
PZN H251 C25 single 1.092 0.020
PZN H252 C25 single 1.092 0.020
PZN C26 C27 single 1.490 0.020
PZN N6 C26 double 1.350 0.020
PZN C27 N7 double 1.350 0.020
PZN C28 C27 single 1.506 0.020
PZN N7 O6 single 1.337 0.020
PZN O6 N6 single 1.337 0.020
PZN H281 C28 single 1.059 0.020
PZN H282 C28 single 1.059 0.020
PZN H283 C28 single 1.059 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
PZN O5 C17 C18 120.000 3.000
PZN O5 C17 N3 120.000 3.000
PZN C18 C17 N3 120.000 3.000
PZN C17 C18 N5 120.000 3.000
PZN C17 C18 N4 120.000 3.000
PZN N5 C18 N4 120.000 3.000
PZN C18 N5 HN5 120.000 3.000
PZN C18 N5 C25 120.000 3.000
PZN HN5 N5 C25 118.500 3.000
PZN N5 C25 H251 109.470 3.000
PZN N5 C25 H252 109.470 3.000
PZN N5 C25 C26 109.500 3.000
PZN H251 C25 H252 107.900 3.000
PZN H251 C25 C26 109.470 3.000
PZN H252 C25 C26 109.470 3.000
PZN C25 C26 N6 126.000 3.000
PZN C25 C26 C27 126.000 3.000
PZN N6 C26 C27 108.000 3.000
PZN C26 N6 O6 108.000 3.000
PZN N6 O6 N7 120.000 3.000
PZN O6 N7 C27 108.000 3.000
PZN N7 C27 C28 126.000 3.000
PZN N7 C27 C26 108.000 3.000
PZN C28 C27 C26 126.000 3.000
PZN C27 C28 H283 109.470 3.000
PZN C27 C28 H282 109.470 3.000
PZN C27 C28 H281 109.470 3.000
PZN H283 C28 H282 109.470 3.000
PZN H283 C28 H281 109.470 3.000
PZN H282 C28 H281 109.470 3.000
PZN C18 N4 C19 120.000 3.000
PZN N4 C19 C20 120.000 3.000
PZN N4 C19 C24 120.000 3.000
PZN C20 C19 C24 120.000 3.000
PZN C19 C20 C22 109.500 3.000
PZN C19 C20 C21 109.500 3.000
PZN C19 C20 C23 109.500 3.000
PZN C22 C20 C21 111.000 3.000
PZN C22 C20 C23 111.000 3.000
PZN C21 C20 C23 111.000 3.000
PZN C20 C22 H223 109.470 3.000
PZN C20 C22 H222 109.470 3.000
PZN C20 C22 H221 109.470 3.000
PZN H223 C22 H222 109.470 3.000
PZN H223 C22 H221 109.470 3.000
PZN H222 C22 H221 109.470 3.000
PZN C20 C21 H213 109.470 3.000
PZN C20 C21 H212 109.470 3.000
PZN C20 C21 H211 109.470 3.000
PZN H213 C21 H212 109.470 3.000
PZN H213 C21 H211 109.470 3.000
PZN H212 C21 H211 109.470 3.000
PZN C20 C23 H233 109.470 3.000
PZN C20 C23 H232 109.470 3.000
PZN C20 C23 H231 109.470 3.000
PZN H233 C23 H232 109.470 3.000
PZN H233 C23 H231 109.470 3.000
PZN H232 C23 H231 109.470 3.000
PZN C19 C24 H24 120.000 3.000
PZN C19 C24 N3 120.000 3.000
PZN H24 C24 N3 120.000 3.000
PZN C17 N3 C14 120.000 3.000
PZN C17 N3 C24 120.000 3.000
PZN C14 N3 C24 120.000 3.000
PZN N3 C14 H14 109.470 3.000
PZN N3 C14 C15 109.470 3.000
PZN N3 C14 C13 109.500 3.000
PZN H14 C14 C15 108.340 3.000
PZN H14 C14 C13 108.810 3.000
PZN C15 C14 C13 109.470 3.000
PZN C14 C15 H151 109.470 3.000
PZN C14 C15 H152 109.470 3.000
PZN C14 C15 C16 111.000 3.000
PZN H151 C15 H152 107.900 3.000
PZN H151 C15 C16 109.470 3.000
PZN H152 C15 C16 109.470 3.000
PZN C15 C16 H163 109.470 3.000
PZN C15 C16 H162 109.470 3.000
PZN C15 C16 H161 109.470 3.000
PZN H163 C16 H162 109.470 3.000
PZN H163 C16 H161 109.470 3.000
PZN H162 C16 H161 109.470 3.000
PZN C14 C13 O4 120.500 3.000
PZN C14 C13 N2 116.500 3.000
PZN O4 C13 N2 123.000 3.000
PZN C13 N2 HN2 120.000 3.000
PZN C13 N2 C10 121.500 3.000
PZN HN2 N2 C10 118.500 3.000
PZN N2 C10 H10 108.550 3.000
PZN N2 C10 C11 110.000 3.000
PZN N2 C10 C9 111.600 3.000
PZN H10 C10 C11 108.340 3.000
PZN H10 C10 C9 108.810 3.000
PZN C11 C10 C9 109.470 3.000
PZN C10 C11 H111 109.470 3.000
PZN C10 C11 H112 109.470 3.000
PZN C10 C11 C12 109.470 3.000
PZN H111 C11 H112 107.900 3.000
PZN H111 C11 C12 109.470 3.000
PZN H112 C11 C12 109.470 3.000
PZN C11 C12 O3 118.500 3.000
PZN C11 C12 O2 118.500 3.000
PZN O3 C12 O2 123.000 3.000
PZN C10 C9 O1 120.500 3.000
PZN C10 C9 C8 120.000 3.000
PZN O1 C9 C8 120.500 3.000
PZN C9 C8 H81 109.470 3.000
PZN C9 C8 H82 109.470 3.000
PZN C9 C8 N1 109.500 3.000
PZN H81 C8 H82 107.900 3.000
PZN H81 C8 N1 109.470 3.000
PZN H82 C8 N1 109.470 3.000
PZN C8 N1 C7 109.470 3.000
PZN C8 N1 C6 109.470 3.000
PZN C7 N1 C6 109.470 3.000
PZN N1 C7 H73 109.470 3.000
PZN N1 C7 H72 109.470 3.000
PZN N1 C7 H71 109.470 3.000
PZN H73 C7 H72 109.470 3.000
PZN H73 C7 H71 109.470 3.000
PZN H72 C7 H71 109.470 3.000
PZN N1 C6 H61 109.470 3.000
PZN N1 C6 H62 109.470 3.000
PZN N1 C6 C5 109.470 3.000
PZN H61 C6 H62 107.900 3.000
PZN H61 C6 C5 109.470 3.000
PZN H62 C6 C5 109.470 3.000
PZN C6 C5 H51 109.470 3.000
PZN C6 C5 H52 109.470 3.000
PZN C6 C5 C4 111.000 3.000
PZN H51 C5 H52 107.900 3.000
PZN H51 C5 C4 109.470 3.000
PZN H52 C5 C4 109.470 3.000
PZN C5 C4 H41 109.470 3.000
PZN C5 C4 H42 109.470 3.000
PZN C5 C4 C3 111.000 3.000
PZN H41 C4 H42 107.900 3.000
PZN H41 C4 C3 109.470 3.000
PZN H42 C4 C3 109.470 3.000
PZN C4 C3 H31 109.470 3.000
PZN C4 C3 H32 109.470 3.000
PZN C4 C3 C2 111.000 3.000
PZN H31 C3 H32 107.900 3.000
PZN H31 C3 C2 109.470 3.000
PZN H32 C3 C2 109.470 3.000
PZN C3 C2 H21 109.470 3.000
PZN C3 C2 H22 109.470 3.000
PZN C3 C2 C1 111.000 3.000
PZN H21 C2 H22 107.900 3.000
PZN H21 C2 C1 109.470 3.000
PZN H22 C2 C1 109.470 3.000
PZN C2 C1 H13 109.470 3.000
PZN C2 C1 H12 109.470 3.000
PZN C2 C1 H11 109.470 3.000
PZN H13 C1 H12 109.470 3.000
PZN H13 C1 H11 109.470 3.000
PZN H12 C1 H11 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
PZN CONST_1 O5 C17 C18 N4 180.000 0.000 0
PZN var_1 C17 C18 N5 C25 -179.727 20.000 1
PZN var_2 C18 N5 C25 C26 179.944 20.000 3
PZN var_3 N5 C25 C26 N6 89.995 20.000 2
PZN CONST_2 C25 C26 C27 N7 180.000 0.000 0
PZN CONST_3 C25 C26 N6 O6 180.000 0.000 0
PZN CONST_4 C26 N6 O6 N7 0.000 0.000 0
PZN CONST_5 N6 O6 N7 C27 0.000 0.000 0
PZN CONST_6 O6 N7 C27 C28 180.000 0.000 0
PZN var_4 N7 C27 C28 H281 89.905 20.000 1
PZN CONST_7 C17 C18 N4 C19 0.000 0.000 0
PZN CONST_8 C18 N4 C19 C24 0.000 0.000 0
PZN var_5 N4 C19 C20 C23 -179.990 20.000 1
PZN var_6 C19 C20 C22 H221 59.942 20.000 1
PZN var_7 C19 C20 C21 H211 59.980 20.000 1
PZN var_8 C19 C20 C23 H231 60.013 20.000 1
PZN CONST_9 N4 C19 C24 N3 0.000 0.000 0
PZN CONST_10 O5 C17 N3 C14 0.000 0.000 0
PZN CONST_11 C17 N3 C24 C19 0.000 0.000 0
PZN var_9 C17 N3 C14 C13 59.696 20.000 1
PZN var_10 N3 C14 C15 C16 -65.014 20.000 3
PZN var_11 C14 C15 C16 H161 -59.958 20.000 3
PZN var_12 N3 C14 C13 N2 179.978 20.000 3
PZN CONST_12 C14 C13 N2 C10 180.000 0.000 0
PZN var_13 C13 N2 C10 C9 -154.984 20.000 3
PZN var_14 N2 C10 C11 C12 56.465 20.000 3
PZN var_15 C10 C11 C12 O2 -177.832 20.000 3
PZN var_16 N2 C10 C9 C8 164.982 20.000 3
PZN var_17 C10 C9 C8 N1 -179.995 20.000 3
PZN var_18 C9 C8 N1 C6 169.997 20.000 1
PZN var_19 C8 N1 C7 H71 66.188 20.000 1
PZN var_20 C8 N1 C6 C5 -170.011 20.000 1
PZN var_21 N1 C6 C5 C4 -179.993 20.000 3
PZN var_22 C6 C5 C4 C3 180.000 20.000 3
PZN var_23 C5 C4 C3 C2 -179.992 20.000 3
PZN var_24 C4 C3 C2 C1 -179.972 20.000 3
PZN var_25 C3 C2 C1 H11 -60.072 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
PZN chir_01 N1 C6 C7 C8 negativ
PZN chir_02 C10 C9 N2 C11 negativ
PZN chir_03 C14 C13 C15 N3 positiv
PZN chir_04 C20 C19 C23 C21 negativ
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
PZN plan-1 C9 0.020
PZN plan-1 C8 0.020
PZN plan-1 O1 0.020
PZN plan-1 C10 0.020
PZN plan-2 N2 0.020
PZN plan-2 C10 0.020
PZN plan-2 C13 0.020
PZN plan-2 HN2 0.020
PZN plan-3 C12 0.020
PZN plan-3 C11 0.020
PZN plan-3 O2 0.020
PZN plan-3 O3 0.020
PZN plan-4 C13 0.020
PZN plan-4 N2 0.020
PZN plan-4 C14 0.020
PZN plan-4 O4 0.020
PZN plan-4 HN2 0.020
PZN plan-5 N3 0.020
PZN plan-5 C14 0.020
PZN plan-5 C24 0.020
PZN plan-5 C17 0.020
PZN plan-5 C18 0.020
PZN plan-5 N4 0.020
PZN plan-5 C19 0.020
PZN plan-5 N5 0.020
PZN plan-5 C20 0.020
PZN plan-5 H24 0.020
PZN plan-5 O5 0.020
PZN plan-5 HN5 0.020
PZN plan-6 N5 0.020
PZN plan-6 C18 0.020
PZN plan-6 C25 0.020
PZN plan-6 HN5 0.020
PZN plan-7 C26 0.020
PZN plan-7 C25 0.020
PZN plan-7 C27 0.020
PZN plan-7 N6 0.020
PZN plan-7 N7 0.020
PZN plan-7 O6 0.020
PZN plan-7 C28 0.020
# ------------------------------------------------------
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