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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
K53 K53 '(5S)-N-{(1S,2R)-3-[(1,3-benzodioxol-' non-polymer 79 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_K53
#
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
K53 O27 O O 0.000 0.000 0.000 0.000
K53 C26 C C 0.000 -1.104 -0.131 0.489
K53 N24 N N 0.000 -1.888 0.906 0.814
K53 C43 C CR6 0.000 -1.565 2.258 0.640
K53 C42 C CR6 0.000 -1.888 2.906 -0.550
K53 O46 O OH1 0.000 -2.517 2.227 -1.546
K53 HO46 H H 0.000 -1.858 1.829 -2.130
K53 C41 C CR16 0.000 -1.565 4.244 -0.717
K53 H41 H H 0.000 -1.815 4.750 -1.641
K53 C44 C CR16 0.000 -0.922 2.956 1.653
K53 H44 H H 0.000 -0.670 2.455 2.580
K53 C45 C CR16 0.000 -0.605 4.290 1.479
K53 H45 H H 0.000 -0.104 4.833 2.270
K53 C40 C CR16 0.000 -0.925 4.932 0.297
K53 H40 H H 0.000 -0.673 5.977 0.165
K53 O28 O O2 0.000 -1.649 -1.324 0.751
K53 C29 C CH1 0.000 -2.973 -1.137 1.331
K53 H29 H H 0.000 -3.014 -1.561 2.344
K53 C25 C CH2 0.000 -3.146 0.393 1.377
K53 H25A H H 0.000 -3.267 0.763 2.398
K53 H25 H H 0.000 -3.985 0.732 0.766
K53 C21 C C 0.000 -4.027 -1.762 0.453
K53 O22 O O 0.000 -3.706 -2.327 -0.572
K53 N20 N NH1 0.000 -5.326 -1.693 0.806
K53 HN20 H H 0.000 -5.593 -1.222 1.659
K53 C19 C CH1 0.000 -6.350 -2.300 -0.047
K53 H19 H H 0.000 -6.059 -2.194 -1.101
K53 C32 C CH2 0.000 -6.487 -3.784 0.298
K53 H32 H H 0.000 -7.312 -4.215 -0.273
K53 H32A H H 0.000 -6.689 -3.892 1.366
K53 C38 C CR6 0.000 -5.206 -4.499 -0.047
K53 C37 C CR16 0.000 -5.036 -5.045 -1.306
K53 H37 H H 0.000 -5.823 -4.958 -2.045
K53 C36 C CR16 0.000 -3.861 -5.702 -1.621
K53 H36 H H 0.000 -3.728 -6.130 -2.607
K53 C35 C CR16 0.000 -2.856 -5.813 -0.678
K53 H35 H H 0.000 -1.936 -6.327 -0.926
K53 C34 C CR16 0.000 -3.026 -5.267 0.581
K53 H34 H H 0.000 -2.239 -5.353 1.319
K53 C33 C CR16 0.000 -4.201 -4.611 0.897
K53 H33 H H 0.000 -4.335 -4.185 1.883
K53 C17 C CH1 0.000 -7.689 -1.596 0.185
K53 H17 H H 0.000 -7.568 -0.516 0.024
K53 O18 O OH1 0.000 -8.125 -1.833 1.526
K53 HO18 H H 0.000 -8.231 -2.783 1.667
K53 C16 C CH2 0.000 -8.729 -2.145 -0.794
K53 H16 H H 0.000 -8.913 -3.199 -0.576
K53 H16A H H 0.000 -8.355 -2.045 -1.815
K53 N11 N N 0.000 -9.977 -1.390 -0.654
K53 C12 C CH2 0.000 -10.950 -1.769 0.374
K53 H12 H H 0.000 -11.556 -0.900 0.638
K53 H12A H H 0.000 -10.421 -2.125 1.261
K53 C13 C CH1 0.000 -11.855 -2.880 -0.163
K53 H13 H H 0.000 -11.236 -3.719 -0.511
K53 C15 C CH3 0.000 -12.686 -2.341 -1.330
K53 H15B H H 0.000 -12.040 -2.007 -2.100
K53 H15A H H 0.000 -13.312 -3.110 -1.704
K53 H15 H H 0.000 -13.283 -1.532 -0.996
K53 C14 C CH3 0.000 -12.788 -3.361 0.950
K53 H14B H H 0.000 -13.414 -4.131 0.579
K53 H14A H H 0.000 -12.213 -3.733 1.758
K53 H14 H H 0.000 -13.385 -2.553 1.285
K53 S8 S ST 0.000 -10.287 -0.110 -1.656
K53 O9 O OS 0.000 -11.699 0.050 -1.678
K53 O10 O OS 0.000 -9.512 -0.321 -2.828
K53 C5 C CR6 0.000 -9.636 1.331 -0.880
K53 C4 C CR16 0.000 -8.332 1.718 -1.128
K53 H4 H H 0.000 -7.713 1.135 -1.800
K53 C6 C CR16 0.000 -10.429 2.073 -0.025
K53 H6 H H 0.000 -11.450 1.768 0.165
K53 C7 C CR16 0.000 -9.921 3.204 0.587
K53 H7 H H 0.000 -10.545 3.782 1.257
K53 C2 C CR6 0.000 -8.616 3.597 0.343
K53 O19 O O2 0.000 -7.885 4.649 0.814
K53 C18 C CH2 0.000 -6.509 4.310 0.552
K53 H18A H H 0.000 -6.048 3.779 1.387
K53 H18 H H 0.000 -5.907 5.187 0.302
K53 O29 O O2 0.000 -6.586 3.437 -0.591
K53 C3 C CR6 0.000 -7.816 2.850 -0.518
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
K53 O27 n/a C26 START
K53 C26 O27 O28 .
K53 N24 C26 C43 .
K53 C43 N24 C44 .
K53 C42 C43 C41 .
K53 O46 C42 HO46 .
K53 HO46 O46 . .
K53 C41 C42 H41 .
K53 H41 C41 . .
K53 C44 C43 C45 .
K53 H44 C44 . .
K53 C45 C44 C40 .
K53 H45 C45 . .
K53 C40 C45 H40 .
K53 H40 C40 . .
K53 O28 C26 C29 .
K53 C29 O28 C21 .
K53 H29 C29 . .
K53 C25 C29 H25 .
K53 H25A C25 . .
K53 H25 C25 . .
K53 C21 C29 N20 .
K53 O22 C21 . .
K53 N20 C21 C19 .
K53 HN20 N20 . .
K53 C19 N20 C17 .
K53 H19 C19 . .
K53 C32 C19 C38 .
K53 H32 C32 . .
K53 H32A C32 . .
K53 C38 C32 C33 .
K53 C37 C38 C36 .
K53 H37 C37 . .
K53 C36 C37 C35 .
K53 H36 C36 . .
K53 C35 C36 C34 .
K53 H35 C35 . .
K53 C34 C35 H34 .
K53 H34 C34 . .
K53 C33 C38 H33 .
K53 H33 C33 . .
K53 C17 C19 C16 .
K53 H17 C17 . .
K53 O18 C17 HO18 .
K53 HO18 O18 . .
K53 C16 C17 N11 .
K53 H16 C16 . .
K53 H16A C16 . .
K53 N11 C16 S8 .
K53 C12 N11 C13 .
K53 H12 C12 . .
K53 H12A C12 . .
K53 C13 C12 C14 .
K53 H13 C13 . .
K53 C15 C13 H15 .
K53 H15B C15 . .
K53 H15A C15 . .
K53 H15 C15 . .
K53 C14 C13 H14 .
K53 H14B C14 . .
K53 H14A C14 . .
K53 H14 C14 . .
K53 S8 N11 C5 .
K53 O9 S8 . .
K53 O10 S8 . .
K53 C5 S8 C6 .
K53 C4 C5 H4 .
K53 H4 C4 . .
K53 C6 C5 C7 .
K53 H6 C6 . .
K53 C7 C6 C2 .
K53 H7 C7 . .
K53 C2 C7 O19 .
K53 O19 C2 C18 .
K53 C18 O19 O29 .
K53 H18A C18 . .
K53 H18 C18 . .
K53 O29 C18 C3 .
K53 C3 O29 . END
K53 C2 C3 . ADD
K53 C3 C4 . ADD
K53 N24 C25 . ADD
K53 C33 C34 . ADD
K53 C40 C41 . 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
K53 C2 C3 double 1.487 0.020
K53 C2 C7 single 1.390 0.020
K53 O19 C2 single 1.370 0.020
K53 C3 C4 single 1.390 0.020
K53 C3 O29 single 1.370 0.020
K53 C4 C5 double 1.390 0.020
K53 C6 C5 single 1.390 0.020
K53 C5 S8 single 1.595 0.020
K53 C7 C6 double 1.390 0.020
K53 O9 S8 double 1.436 0.020
K53 O10 S8 double 1.436 0.020
K53 S8 N11 single 1.520 0.020
K53 C12 N11 single 1.455 0.020
K53 N11 C16 single 1.455 0.020
K53 C13 C12 single 1.524 0.020
K53 C14 C13 single 1.524 0.020
K53 C15 C13 single 1.524 0.020
K53 C16 C17 single 1.524 0.020
K53 O18 C17 single 1.432 0.020
K53 C17 C19 single 1.524 0.020
K53 C18 O19 single 1.426 0.020
K53 O29 C18 single 1.426 0.020
K53 C19 N20 single 1.450 0.020
K53 C32 C19 single 1.524 0.020
K53 N20 C21 single 1.330 0.020
K53 O22 C21 double 1.220 0.020
K53 C21 C29 single 1.500 0.020
K53 N24 C25 single 1.455 0.020
K53 N24 C26 single 1.330 0.020
K53 C43 N24 single 1.400 0.020
K53 C25 C29 single 1.524 0.020
K53 C26 O27 double 1.220 0.020
K53 O28 C26 single 1.454 0.020
K53 C29 O28 single 1.426 0.020
K53 C38 C32 single 1.511 0.020
K53 C33 C34 double 1.390 0.020
K53 C33 C38 single 1.390 0.020
K53 C34 C35 single 1.390 0.020
K53 C35 C36 double 1.390 0.020
K53 C36 C37 single 1.390 0.020
K53 C37 C38 double 1.390 0.020
K53 C40 C41 double 1.390 0.020
K53 C40 C45 single 1.390 0.020
K53 C41 C42 single 1.390 0.020
K53 C42 C43 double 1.487 0.020
K53 O46 C42 single 1.362 0.020
K53 C44 C43 single 1.390 0.020
K53 C45 C44 double 1.390 0.020
K53 H4 C4 single 1.083 0.020
K53 H6 C6 single 1.083 0.020
K53 H7 C7 single 1.083 0.020
K53 H12 C12 single 1.092 0.020
K53 H12A C12 single 1.092 0.020
K53 H13 C13 single 1.099 0.020
K53 H14 C14 single 1.059 0.020
K53 H14A C14 single 1.059 0.020
K53 H14B C14 single 1.059 0.020
K53 H15 C15 single 1.059 0.020
K53 H15A C15 single 1.059 0.020
K53 H15B C15 single 1.059 0.020
K53 H16 C16 single 1.092 0.020
K53 H16A C16 single 1.092 0.020
K53 H17 C17 single 1.099 0.020
K53 H18 C18 single 1.092 0.020
K53 H18A C18 single 1.092 0.020
K53 HO18 O18 single 0.967 0.020
K53 H19 C19 single 1.099 0.020
K53 HN20 N20 single 1.010 0.020
K53 H25 C25 single 1.092 0.020
K53 H25A C25 single 1.092 0.020
K53 H29 C29 single 1.099 0.020
K53 H32 C32 single 1.092 0.020
K53 H32A C32 single 1.092 0.020
K53 H33 C33 single 1.083 0.020
K53 H34 C34 single 1.083 0.020
K53 H35 C35 single 1.083 0.020
K53 H36 C36 single 1.083 0.020
K53 H37 C37 single 1.083 0.020
K53 H40 C40 single 1.083 0.020
K53 H41 C41 single 1.083 0.020
K53 H44 C44 single 1.083 0.020
K53 H45 C45 single 1.083 0.020
K53 HO46 O46 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
K53 O27 C26 N24 123.000 3.000
K53 O27 C26 O28 119.000 3.000
K53 N24 C26 O28 120.000 3.000
K53 C26 N24 C43 120.000 3.000
K53 C26 N24 C25 127.000 3.000
K53 C43 N24 C25 120.000 3.000
K53 N24 C43 C42 120.000 3.000
K53 N24 C43 C44 120.000 3.000
K53 C42 C43 C44 120.000 3.000
K53 C43 C42 O46 120.000 3.000
K53 C43 C42 C41 120.000 3.000
K53 O46 C42 C41 120.000 3.000
K53 C42 O46 HO46 109.470 3.000
K53 C42 C41 H41 120.000 3.000
K53 C42 C41 C40 120.000 3.000
K53 H41 C41 C40 120.000 3.000
K53 C43 C44 H44 120.000 3.000
K53 C43 C44 C45 120.000 3.000
K53 H44 C44 C45 120.000 3.000
K53 C44 C45 H45 120.000 3.000
K53 C44 C45 C40 120.000 3.000
K53 H45 C45 C40 120.000 3.000
K53 C45 C40 H40 120.000 3.000
K53 C45 C40 C41 120.000 3.000
K53 H40 C40 C41 120.000 3.000
K53 C26 O28 C29 111.800 3.000
K53 O28 C29 H29 109.470 3.000
K53 O28 C29 C25 109.470 3.000
K53 O28 C29 C21 109.470 3.000
K53 H29 C29 C25 108.340 3.000
K53 H29 C29 C21 108.810 3.000
K53 C25 C29 C21 109.470 3.000
K53 C29 C25 H25A 109.470 3.000
K53 C29 C25 H25 109.470 3.000
K53 C29 C25 N24 105.000 3.000
K53 H25A C25 H25 107.900 3.000
K53 H25A C25 N24 109.470 3.000
K53 H25 C25 N24 109.470 3.000
K53 C29 C21 O22 120.500 3.000
K53 C29 C21 N20 116.500 3.000
K53 O22 C21 N20 123.000 3.000
K53 C21 N20 HN20 120.000 3.000
K53 C21 N20 C19 121.500 3.000
K53 HN20 N20 C19 118.500 3.000
K53 N20 C19 H19 108.550 3.000
K53 N20 C19 C32 110.000 3.000
K53 N20 C19 C17 110.000 3.000
K53 H19 C19 C32 108.340 3.000
K53 H19 C19 C17 108.340 3.000
K53 C32 C19 C17 111.000 3.000
K53 C19 C32 H32 109.470 3.000
K53 C19 C32 H32A 109.470 3.000
K53 C19 C32 C38 109.470 3.000
K53 H32 C32 H32A 107.900 3.000
K53 H32 C32 C38 109.470 3.000
K53 H32A C32 C38 109.470 3.000
K53 C32 C38 C37 120.000 3.000
K53 C32 C38 C33 120.000 3.000
K53 C37 C38 C33 120.000 3.000
K53 C38 C37 H37 120.000 3.000
K53 C38 C37 C36 120.000 3.000
K53 H37 C37 C36 120.000 3.000
K53 C37 C36 H36 120.000 3.000
K53 C37 C36 C35 120.000 3.000
K53 H36 C36 C35 120.000 3.000
K53 C36 C35 H35 120.000 3.000
K53 C36 C35 C34 120.000 3.000
K53 H35 C35 C34 120.000 3.000
K53 C35 C34 H34 120.000 3.000
K53 C35 C34 C33 120.000 3.000
K53 H34 C34 C33 120.000 3.000
K53 C38 C33 H33 120.000 3.000
K53 C38 C33 C34 120.000 3.000
K53 H33 C33 C34 120.000 3.000
K53 C19 C17 H17 108.340 3.000
K53 C19 C17 O18 109.470 3.000
K53 C19 C17 C16 111.000 3.000
K53 H17 C17 O18 109.470 3.000
K53 H17 C17 C16 108.340 3.000
K53 O18 C17 C16 109.470 3.000
K53 C17 O18 HO18 109.470 3.000
K53 C17 C16 H16 109.470 3.000
K53 C17 C16 H16A 109.470 3.000
K53 C17 C16 N11 105.000 3.000
K53 H16 C16 H16A 107.900 3.000
K53 H16 C16 N11 109.470 3.000
K53 H16A C16 N11 109.470 3.000
K53 C16 N11 C12 120.000 3.000
K53 C16 N11 S8 120.000 3.000
K53 C12 N11 S8 120.000 3.000
K53 N11 C12 H12 109.470 3.000
K53 N11 C12 H12A 109.470 3.000
K53 N11 C12 C13 105.000 3.000
K53 H12 C12 H12A 107.900 3.000
K53 H12 C12 C13 109.470 3.000
K53 H12A C12 C13 109.470 3.000
K53 C12 C13 H13 108.340 3.000
K53 C12 C13 C15 111.000 3.000
K53 C12 C13 C14 111.000 3.000
K53 H13 C13 C15 108.340 3.000
K53 H13 C13 C14 108.340 3.000
K53 C15 C13 C14 111.000 3.000
K53 C13 C15 H15B 109.470 3.000
K53 C13 C15 H15A 109.470 3.000
K53 C13 C15 H15 109.470 3.000
K53 H15B C15 H15A 109.470 3.000
K53 H15B C15 H15 109.470 3.000
K53 H15A C15 H15 109.470 3.000
K53 C13 C14 H14B 109.470 3.000
K53 C13 C14 H14A 109.470 3.000
K53 C13 C14 H14 109.470 3.000
K53 H14B C14 H14A 109.470 3.000
K53 H14B C14 H14 109.470 3.000
K53 H14A C14 H14 109.470 3.000
K53 N11 S8 O9 109.500 3.000
K53 N11 S8 O10 109.500 3.000
K53 N11 S8 C5 109.500 3.000
K53 O9 S8 O10 109.500 3.000
K53 O9 S8 C5 109.500 3.000
K53 O10 S8 C5 109.500 3.000
K53 S8 C5 C4 120.000 3.000
K53 S8 C5 C6 120.000 3.000
K53 C4 C5 C6 120.000 3.000
K53 C5 C4 H4 120.000 3.000
K53 C5 C4 C3 120.000 3.000
K53 H4 C4 C3 120.000 3.000
K53 C5 C6 H6 120.000 3.000
K53 C5 C6 C7 120.000 3.000
K53 H6 C6 C7 120.000 3.000
K53 C6 C7 H7 120.000 3.000
K53 C6 C7 C2 120.000 3.000
K53 H7 C7 C2 120.000 3.000
K53 C7 C2 O19 120.000 3.000
K53 C7 C2 C3 120.000 3.000
K53 O19 C2 C3 120.000 3.000
K53 C2 O19 C18 120.000 3.000
K53 O19 C18 H18A 109.470 3.000
K53 O19 C18 H18 109.470 3.000
K53 O19 C18 O29 109.500 3.000
K53 H18A C18 H18 107.900 3.000
K53 H18A C18 O29 109.470 3.000
K53 H18 C18 O29 109.470 3.000
K53 C18 O29 C3 120.000 3.000
K53 O29 C3 C2 120.000 3.000
K53 O29 C3 C4 120.000 3.000
K53 C2 C3 C4 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
K53 CONST_1 O27 C26 N24 C43 0.000 0.000 0
K53 var_1 C26 N24 C25 C29 0.000 20.000 1
K53 var_2 C26 N24 C43 C44 -90.322 20.000 1
K53 CONST_2 N24 C43 C42 C41 180.000 0.000 0
K53 var_3 C43 C42 O46 HO46 -89.982 20.000 1
K53 CONST_3 C43 C42 C41 C40 0.000 0.000 0
K53 CONST_4 N24 C43 C44 C45 180.000 0.000 0
K53 CONST_5 C43 C44 C45 C40 0.000 0.000 0
K53 CONST_6 C44 C45 C40 C41 0.000 0.000 0
K53 CONST_7 C45 C40 C41 C42 0.000 0.000 0
K53 var_4 O27 C26 O28 C29 180.000 20.000 1
K53 var_5 C26 O28 C29 C21 120.000 20.000 1
K53 var_6 O28 C29 C25 N24 0.000 20.000 3
K53 var_7 O28 C29 C21 N20 -179.543 20.000 3
K53 CONST_8 C29 C21 N20 C19 180.000 0.000 0
K53 var_8 C21 N20 C19 C17 -155.018 20.000 3
K53 var_9 N20 C19 C32 C38 -65.043 20.000 3
K53 var_10 C19 C32 C38 C33 90.069 20.000 2
K53 CONST_9 C32 C38 C37 C36 180.000 0.000 0
K53 CONST_10 C38 C37 C36 C35 0.000 0.000 0
K53 CONST_11 C37 C36 C35 C34 0.000 0.000 0
K53 CONST_12 C36 C35 C34 C33 0.000 0.000 0
K53 CONST_13 C32 C38 C33 C34 180.000 0.000 0
K53 CONST_14 C38 C33 C34 C35 0.000 0.000 0
K53 var_11 N20 C19 C17 C16 174.976 20.000 3
K53 var_12 C19 C17 O18 HO18 -59.947 20.000 1
K53 var_13 C19 C17 C16 N11 -175.022 20.000 3
K53 var_14 C17 C16 N11 S8 94.996 20.000 1
K53 var_15 C16 N11 C12 C13 -85.022 20.000 1
K53 var_16 N11 C12 C13 C14 175.017 20.000 3
K53 var_17 C12 C13 C15 H15 -60.086 20.000 3
K53 var_18 C12 C13 C14 H14 60.045 20.000 3
K53 var_19 C16 N11 S8 C5 -90.011 20.000 1
K53 var_20 N11 S8 C5 C6 -89.993 20.000 1
K53 CONST_15 S8 C5 C4 C3 180.000 0.000 0
K53 CONST_16 S8 C5 C6 C7 180.000 0.000 0
K53 CONST_17 C5 C6 C7 C2 0.000 0.000 0
K53 CONST_18 C6 C7 C2 O19 180.000 0.000 0
K53 CONST_19 C7 C2 C3 O29 180.000 0.000 0
K53 var_21 C7 C2 O19 C18 150.000 20.000 1
K53 var_22 C2 O19 C18 O29 30.000 20.000 1
K53 var_23 O19 C18 O29 C3 -30.000 20.000 1
K53 var_24 C18 O29 C3 C2 30.000 20.000 1
K53 CONST_20 O29 C3 C4 C5 180.000 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
K53 chir_01 S8 C5 O9 O10 negativ
K53 chir_02 C13 C12 C14 C15 negativ
K53 chir_03 C17 C16 O18 C19 negativ
K53 chir_04 C19 C17 N20 C32 negativ
K53 chir_05 C29 C21 C25 O28 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
K53 plan-1 C2 0.020
K53 plan-1 C3 0.020
K53 plan-1 C7 0.020
K53 plan-1 O19 0.020
K53 plan-1 C4 0.020
K53 plan-1 C5 0.020
K53 plan-1 C6 0.020
K53 plan-1 O29 0.020
K53 plan-1 H4 0.020
K53 plan-1 S8 0.020
K53 plan-1 H6 0.020
K53 plan-1 H7 0.020
K53 plan-2 N11 0.020
K53 plan-2 S8 0.020
K53 plan-2 C12 0.020
K53 plan-2 C16 0.020
K53 plan-3 N20 0.020
K53 plan-3 C19 0.020
K53 plan-3 C21 0.020
K53 plan-3 HN20 0.020
K53 plan-4 C21 0.020
K53 plan-4 N20 0.020
K53 plan-4 O22 0.020
K53 plan-4 C29 0.020
K53 plan-4 HN20 0.020
K53 plan-5 N24 0.020
K53 plan-5 C25 0.020
K53 plan-5 C26 0.020
K53 plan-5 C43 0.020
K53 plan-6 C26 0.020
K53 plan-6 N24 0.020
K53 plan-6 O27 0.020
K53 plan-6 O28 0.020
K53 plan-7 C33 0.020
K53 plan-7 C34 0.020
K53 plan-7 C38 0.020
K53 plan-7 H33 0.020
K53 plan-7 C35 0.020
K53 plan-7 C36 0.020
K53 plan-7 C37 0.020
K53 plan-7 H34 0.020
K53 plan-7 H35 0.020
K53 plan-7 H36 0.020
K53 plan-7 H37 0.020
K53 plan-7 C32 0.020
K53 plan-8 C40 0.020
K53 plan-8 C41 0.020
K53 plan-8 C45 0.020
K53 plan-8 H40 0.020
K53 plan-8 C42 0.020
K53 plan-8 C43 0.020
K53 plan-8 C44 0.020
K53 plan-8 H41 0.020
K53 plan-8 O46 0.020
K53 plan-8 N24 0.020
K53 plan-8 H44 0.020
K53 plan-8 H45 0.020
# ------------------------------------------------------
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