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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
A88 A88 '(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXY' non-polymer 80 43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_A88
#
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
A88 O3 O O 0.000 0.000 0.000 0.000
A88 C3 C C 0.000 -1.201 -0.182 0.056
A88 N4 N N 0.000 -1.706 -1.171 -0.673
A88 C22 C CH2 0.000 -0.835 -1.843 -1.641
A88 H221 H H 0.000 -1.178 -2.870 -1.787
A88 H222 H H 0.000 0.189 -1.854 -1.263
A88 C23 C CR6 0.000 -0.881 -1.105 -2.954
A88 C28 C CR16 0.000 -1.762 -1.508 -3.940
A88 H28 H H 0.000 -2.418 -2.352 -3.767
A88 C27 C CR16 0.000 -1.808 -0.835 -5.147
A88 H27 H H 0.000 -2.495 -1.156 -5.921
A88 C26 C CR6 0.000 -0.974 0.249 -5.368
A88 O29 O OH1 0.000 -1.018 0.913 -6.554
A88 HO9 H H 0.000 -1.666 1.628 -6.498
A88 C25 C CR6 0.000 -0.083 0.650 -4.376
A88 O30 O O2 0.000 0.741 1.711 -4.590
A88 C31 C CH3 0.000 1.519 1.875 -3.403
A88 H313 H H 0.000 0.876 2.060 -2.582
A88 H312 H H 0.000 2.078 0.994 -3.221
A88 H311 H H 0.000 2.180 2.693 -3.524
A88 C24 C CR16 0.000 -0.042 -0.030 -3.170
A88 H24 H H 0.000 0.648 0.283 -2.395
A88 C5 C CH1 0.000 -3.092 -1.623 -0.546
A88 H5 H H 0.000 -3.193 -2.624 -0.987
A88 C15 C CH2 0.000 -4.015 -0.646 -1.279
A88 H151 H H 0.000 -3.591 -0.409 -2.257
A88 H152 H H 0.000 -4.113 0.270 -0.694
A88 C16 C CR6 0.000 -5.371 -1.277 -1.459
A88 C21 C CR16 0.000 -5.591 -2.162 -2.498
A88 H21 H H 0.000 -4.789 -2.399 -3.186
A88 C20 C CR16 0.000 -6.835 -2.744 -2.660
A88 H20 H H 0.000 -7.005 -3.442 -3.470
A88 C19 C CR16 0.000 -7.861 -2.434 -1.787
A88 H19 H H 0.000 -8.836 -2.888 -1.916
A88 C18 C CR16 0.000 -7.644 -1.546 -0.751
A88 H18 H H 0.000 -8.448 -1.303 -0.068
A88 C17 C CR16 0.000 -6.398 -0.968 -0.587
A88 H17 H H 0.000 -6.228 -0.272 0.225
A88 C6 C CH1 0.000 -3.476 -1.675 0.939
A88 H6 H H 0.000 -2.604 -1.984 1.533
A88 O6 O OH1 0.000 -4.538 -2.614 1.124
A88 HO6 H H 0.000 -4.779 -2.646 2.060
A88 C7 C CH2 0.000 -3.930 -0.298 1.382
A88 H71 H H 0.000 -3.733 -0.218 2.453
A88 H72 H H 0.000 -5.006 -0.237 1.205
A88 N1 N NT 0.000 -3.261 0.785 0.683
A88 C8 C CH2 0.000 -3.635 2.026 1.375
A88 H81 H H 0.000 -2.973 2.834 1.055
A88 H82 H H 0.000 -3.541 1.885 2.453
A88 C9 C CR6 0.000 -5.061 2.379 1.036
A88 C14 C CR16 0.000 -5.341 3.097 -0.112
A88 H14 H H 0.000 -4.537 3.409 -0.767
A88 C13 C CR16 0.000 -6.649 3.418 -0.424
A88 H13 H H 0.000 -6.870 3.975 -1.326
A88 C12 C CR16 0.000 -7.676 3.028 0.415
A88 H12 H H 0.000 -8.700 3.281 0.171
A88 C11 C CR16 0.000 -7.396 2.315 1.565
A88 H11 H H 0.000 -8.200 2.010 2.222
A88 C10 C CR16 0.000 -6.088 1.990 1.875
A88 H10 H H 0.000 -5.868 1.432 2.777
A88 N2 N N 0.000 -1.919 0.639 0.842
A88 C32 C CH2 0.000 -1.236 1.391 1.897
A88 H321 H H 0.000 -1.838 2.261 2.171
A88 H322 H H 0.000 -0.262 1.724 1.534
A88 C33 C CR6 0.000 -1.050 0.507 3.104
A88 C38 C CR16 0.000 -1.961 0.556 4.142
A88 H38 H H 0.000 -2.806 1.231 4.090
A88 C37 C CR6 0.000 -1.795 -0.258 5.250
A88 O40 O O2 0.000 -2.693 -0.217 6.269
A88 C41 C CH3 0.000 -3.683 0.747 5.907
A88 H413 H H 0.000 -3.224 1.692 5.772
A88 H412 H H 0.000 -4.152 0.451 5.004
A88 H411 H H 0.000 -4.409 0.814 6.675
A88 C36 C CR6 0.000 -0.702 -1.118 5.318
A88 O39 O OH1 0.000 -0.531 -1.916 6.406
A88 HO3 H H 0.000 -0.001 -1.450 7.067
A88 C35 C CR16 0.000 0.212 -1.157 4.278
A88 H35 H H 0.000 1.063 -1.824 4.330
A88 C34 C CR16 0.000 0.036 -0.344 3.173
A88 H34 H H 0.000 0.751 -0.375 2.361
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
A88 O3 n/a C3 START
A88 C3 O3 N4 .
A88 N4 C3 C5 .
A88 C22 N4 C23 .
A88 H221 C22 . .
A88 H222 C22 . .
A88 C23 C22 C28 .
A88 C28 C23 C27 .
A88 H28 C28 . .
A88 C27 C28 C26 .
A88 H27 C27 . .
A88 C26 C27 C25 .
A88 O29 C26 HO9 .
A88 HO9 O29 . .
A88 C25 C26 C24 .
A88 O30 C25 C31 .
A88 C31 O30 H311 .
A88 H313 C31 . .
A88 H312 C31 . .
A88 H311 C31 . .
A88 C24 C25 H24 .
A88 H24 C24 . .
A88 C5 N4 C6 .
A88 H5 C5 . .
A88 C15 C5 C16 .
A88 H151 C15 . .
A88 H152 C15 . .
A88 C16 C15 C21 .
A88 C21 C16 C20 .
A88 H21 C21 . .
A88 C20 C21 C19 .
A88 H20 C20 . .
A88 C19 C20 C18 .
A88 H19 C19 . .
A88 C18 C19 C17 .
A88 H18 C18 . .
A88 C17 C18 H17 .
A88 H17 C17 . .
A88 C6 C5 C7 .
A88 H6 C6 . .
A88 O6 C6 HO6 .
A88 HO6 O6 . .
A88 C7 C6 N1 .
A88 H71 C7 . .
A88 H72 C7 . .
A88 N1 C7 N2 .
A88 C8 N1 C9 .
A88 H81 C8 . .
A88 H82 C8 . .
A88 C9 C8 C14 .
A88 C14 C9 C13 .
A88 H14 C14 . .
A88 C13 C14 C12 .
A88 H13 C13 . .
A88 C12 C13 C11 .
A88 H12 C12 . .
A88 C11 C12 C10 .
A88 H11 C11 . .
A88 C10 C11 H10 .
A88 H10 C10 . .
A88 N2 N1 C32 .
A88 C32 N2 C33 .
A88 H321 C32 . .
A88 H322 C32 . .
A88 C33 C32 C38 .
A88 C38 C33 C37 .
A88 H38 C38 . .
A88 C37 C38 C36 .
A88 O40 C37 C41 .
A88 C41 O40 H411 .
A88 H413 C41 . .
A88 H412 C41 . .
A88 H411 C41 . .
A88 C36 C37 C35 .
A88 O39 C36 HO3 .
A88 HO3 O39 . .
A88 C35 C36 C34 .
A88 H35 C35 . .
A88 C34 C35 H34 .
A88 H34 C34 . END
A88 N2 C3 . ADD
A88 C9 C10 . ADD
A88 C16 C17 . ADD
A88 C23 C24 . ADD
A88 C33 C34 . 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
A88 N2 N1 single 1.330 0.020
A88 N1 C7 single 1.469 0.020
A88 C8 N1 single 1.469 0.020
A88 N2 C3 single 1.330 0.020
A88 C32 N2 single 1.455 0.020
A88 C3 O3 double 1.220 0.020
A88 N4 C3 single 1.330 0.020
A88 C5 N4 single 1.455 0.020
A88 C22 N4 single 1.455 0.020
A88 C6 C5 single 1.524 0.020
A88 C15 C5 single 1.524 0.020
A88 H5 C5 single 1.099 0.020
A88 O6 C6 single 1.432 0.020
A88 C7 C6 single 1.524 0.020
A88 H6 C6 single 1.099 0.020
A88 HO6 O6 single 0.967 0.020
A88 H71 C7 single 1.092 0.020
A88 H72 C7 single 1.092 0.020
A88 C9 C8 single 1.511 0.020
A88 H81 C8 single 1.092 0.020
A88 H82 C8 single 1.092 0.020
A88 C9 C10 double 1.390 0.020
A88 C14 C9 single 1.390 0.020
A88 C10 C11 single 1.390 0.020
A88 H10 C10 single 1.083 0.020
A88 C11 C12 double 1.390 0.020
A88 H11 C11 single 1.083 0.020
A88 C12 C13 single 1.390 0.020
A88 H12 C12 single 1.083 0.020
A88 C13 C14 double 1.390 0.020
A88 H13 C13 single 1.083 0.020
A88 H14 C14 single 1.083 0.020
A88 C16 C15 single 1.511 0.020
A88 H151 C15 single 1.092 0.020
A88 H152 C15 single 1.092 0.020
A88 C16 C17 double 1.390 0.020
A88 C21 C16 single 1.390 0.020
A88 C17 C18 single 1.390 0.020
A88 H17 C17 single 1.083 0.020
A88 C18 C19 double 1.390 0.020
A88 H18 C18 single 1.083 0.020
A88 C19 C20 single 1.390 0.020
A88 H19 C19 single 1.083 0.020
A88 C20 C21 double 1.390 0.020
A88 H20 C20 single 1.083 0.020
A88 H21 C21 single 1.083 0.020
A88 C23 C22 single 1.511 0.020
A88 H221 C22 single 1.092 0.020
A88 H222 C22 single 1.092 0.020
A88 C23 C24 double 1.390 0.020
A88 C28 C23 single 1.390 0.020
A88 C24 C25 single 1.390 0.020
A88 H24 C24 single 1.083 0.020
A88 C25 C26 double 1.487 0.020
A88 O30 C25 single 1.370 0.020
A88 C26 C27 single 1.390 0.020
A88 O29 C26 single 1.362 0.020
A88 C27 C28 double 1.390 0.020
A88 H27 C27 single 1.083 0.020
A88 H28 C28 single 1.083 0.020
A88 HO9 O29 single 0.967 0.020
A88 C31 O30 single 1.426 0.020
A88 H311 C31 single 1.059 0.020
A88 H312 C31 single 1.059 0.020
A88 H313 C31 single 1.059 0.020
A88 C33 C32 single 1.511 0.020
A88 H321 C32 single 1.092 0.020
A88 H322 C32 single 1.092 0.020
A88 C33 C34 double 1.390 0.020
A88 C38 C33 single 1.390 0.020
A88 C34 C35 single 1.390 0.020
A88 H34 C34 single 1.083 0.020
A88 C35 C36 double 1.390 0.020
A88 H35 C35 single 1.083 0.020
A88 C36 C37 single 1.487 0.020
A88 O39 C36 single 1.362 0.020
A88 C37 C38 double 1.390 0.020
A88 O40 C37 single 1.370 0.020
A88 H38 C38 single 1.083 0.020
A88 HO3 O39 single 0.967 0.020
A88 C41 O40 single 1.426 0.020
A88 H411 C41 single 1.059 0.020
A88 H412 C41 single 1.059 0.020
A88 H413 C41 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
A88 O3 C3 N4 123.000 3.000
A88 O3 C3 N2 123.000 3.000
A88 N4 C3 N2 120.000 3.000
A88 C3 N4 C22 127.000 3.000
A88 C3 N4 C5 121.000 3.000
A88 C22 N4 C5 112.000 3.000
A88 N4 C22 H221 109.470 3.000
A88 N4 C22 H222 109.470 3.000
A88 N4 C22 C23 109.470 3.000
A88 H221 C22 H222 107.900 3.000
A88 H221 C22 C23 109.470 3.000
A88 H222 C22 C23 109.470 3.000
A88 C22 C23 C28 120.000 3.000
A88 C22 C23 C24 120.000 3.000
A88 C28 C23 C24 120.000 3.000
A88 C23 C28 H28 120.000 3.000
A88 C23 C28 C27 120.000 3.000
A88 H28 C28 C27 120.000 3.000
A88 C28 C27 H27 120.000 3.000
A88 C28 C27 C26 120.000 3.000
A88 H27 C27 C26 120.000 3.000
A88 C27 C26 O29 120.000 3.000
A88 C27 C26 C25 120.000 3.000
A88 O29 C26 C25 120.000 3.000
A88 C26 O29 HO9 109.470 3.000
A88 C26 C25 O30 120.000 3.000
A88 C26 C25 C24 120.000 3.000
A88 O30 C25 C24 120.000 3.000
A88 C25 O30 C31 120.000 3.000
A88 O30 C31 H313 109.470 3.000
A88 O30 C31 H312 109.470 3.000
A88 O30 C31 H311 109.470 3.000
A88 H313 C31 H312 109.470 3.000
A88 H313 C31 H311 109.470 3.000
A88 H312 C31 H311 109.470 3.000
A88 C25 C24 H24 120.000 3.000
A88 C25 C24 C23 120.000 3.000
A88 H24 C24 C23 120.000 3.000
A88 N4 C5 H5 109.470 3.000
A88 N4 C5 C15 105.000 3.000
A88 N4 C5 C6 105.000 3.000
A88 H5 C5 C15 108.340 3.000
A88 H5 C5 C6 108.340 3.000
A88 C15 C5 C6 111.000 3.000
A88 C5 C15 H151 109.470 3.000
A88 C5 C15 H152 109.470 3.000
A88 C5 C15 C16 109.470 3.000
A88 H151 C15 H152 107.900 3.000
A88 H151 C15 C16 109.470 3.000
A88 H152 C15 C16 109.470 3.000
A88 C15 C16 C21 120.000 3.000
A88 C15 C16 C17 120.000 3.000
A88 C21 C16 C17 120.000 3.000
A88 C16 C21 H21 120.000 3.000
A88 C16 C21 C20 120.000 3.000
A88 H21 C21 C20 120.000 3.000
A88 C21 C20 H20 120.000 3.000
A88 C21 C20 C19 120.000 3.000
A88 H20 C20 C19 120.000 3.000
A88 C20 C19 H19 120.000 3.000
A88 C20 C19 C18 120.000 3.000
A88 H19 C19 C18 120.000 3.000
A88 C19 C18 H18 120.000 3.000
A88 C19 C18 C17 120.000 3.000
A88 H18 C18 C17 120.000 3.000
A88 C18 C17 H17 120.000 3.000
A88 C18 C17 C16 120.000 3.000
A88 H17 C17 C16 120.000 3.000
A88 C5 C6 H6 108.340 3.000
A88 C5 C6 O6 109.470 3.000
A88 C5 C6 C7 111.000 3.000
A88 H6 C6 O6 109.470 3.000
A88 H6 C6 C7 108.340 3.000
A88 O6 C6 C7 109.470 3.000
A88 C6 O6 HO6 109.470 3.000
A88 C6 C7 H71 109.470 3.000
A88 C6 C7 H72 109.470 3.000
A88 C6 C7 N1 109.500 3.000
A88 H71 C7 H72 107.900 3.000
A88 H71 C7 N1 109.470 3.000
A88 H72 C7 N1 109.470 3.000
A88 C7 N1 C8 109.470 3.000
A88 C7 N1 N2 109.500 3.000
A88 C8 N1 N2 109.500 3.000
A88 N1 C8 H81 109.470 3.000
A88 N1 C8 H82 109.470 3.000
A88 N1 C8 C9 109.500 3.000
A88 H81 C8 H82 107.900 3.000
A88 H81 C8 C9 109.470 3.000
A88 H82 C8 C9 109.470 3.000
A88 C8 C9 C14 120.000 3.000
A88 C8 C9 C10 120.000 3.000
A88 C14 C9 C10 120.000 3.000
A88 C9 C14 H14 120.000 3.000
A88 C9 C14 C13 120.000 3.000
A88 H14 C14 C13 120.000 3.000
A88 C14 C13 H13 120.000 3.000
A88 C14 C13 C12 120.000 3.000
A88 H13 C13 C12 120.000 3.000
A88 C13 C12 H12 120.000 3.000
A88 C13 C12 C11 120.000 3.000
A88 H12 C12 C11 120.000 3.000
A88 C12 C11 H11 120.000 3.000
A88 C12 C11 C10 120.000 3.000
A88 H11 C11 C10 120.000 3.000
A88 C11 C10 H10 120.000 3.000
A88 C11 C10 C9 120.000 3.000
A88 H10 C10 C9 120.000 3.000
A88 N1 N2 C32 120.000 3.000
A88 N1 N2 C3 120.000 3.000
A88 C32 N2 C3 127.000 3.000
A88 N2 C32 H321 109.470 3.000
A88 N2 C32 H322 109.470 3.000
A88 N2 C32 C33 109.470 3.000
A88 H321 C32 H322 107.900 3.000
A88 H321 C32 C33 109.470 3.000
A88 H322 C32 C33 109.470 3.000
A88 C32 C33 C38 120.000 3.000
A88 C32 C33 C34 120.000 3.000
A88 C38 C33 C34 120.000 3.000
A88 C33 C38 H38 120.000 3.000
A88 C33 C38 C37 120.000 3.000
A88 H38 C38 C37 120.000 3.000
A88 C38 C37 O40 120.000 3.000
A88 C38 C37 C36 120.000 3.000
A88 O40 C37 C36 120.000 3.000
A88 C37 O40 C41 120.000 3.000
A88 O40 C41 H413 109.470 3.000
A88 O40 C41 H412 109.470 3.000
A88 O40 C41 H411 109.470 3.000
A88 H413 C41 H412 109.470 3.000
A88 H413 C41 H411 109.470 3.000
A88 H412 C41 H411 109.470 3.000
A88 C37 C36 O39 120.000 3.000
A88 C37 C36 C35 120.000 3.000
A88 O39 C36 C35 120.000 3.000
A88 C36 O39 HO3 109.470 3.000
A88 C36 C35 H35 120.000 3.000
A88 C36 C35 C34 120.000 3.000
A88 H35 C35 C34 120.000 3.000
A88 C35 C34 H34 120.000 3.000
A88 C35 C34 C33 120.000 3.000
A88 H34 C34 C33 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
A88 CONST_1 O3 C3 N4 C5 180.000 0.000 0
A88 var_1 C3 N4 C22 C23 -87.600 20.000 1
A88 var_2 N4 C22 C23 C28 -94.233 20.000 2
A88 CONST_2 C22 C23 C24 C25 180.000 0.000 0
A88 CONST_3 C22 C23 C28 C27 180.000 0.000 0
A88 CONST_4 C23 C28 C27 C26 0.000 0.000 0
A88 CONST_5 C28 C27 C26 C25 0.000 0.000 0
A88 var_3 C27 C26 O29 HO9 90.009 20.000 1
A88 CONST_6 C27 C26 C25 C24 0.000 0.000 0
A88 var_4 C26 C25 O30 C31 179.731 20.000 1
A88 var_5 C25 O30 C31 H311 179.958 20.000 1
A88 CONST_7 C26 C25 C24 C23 0.000 0.000 0
A88 var_6 C3 N4 C5 C6 -41.935 20.000 3
A88 var_7 N4 C5 C15 C16 165.507 20.000 3
A88 var_8 C5 C15 C16 C21 -81.616 20.000 2
A88 CONST_8 C15 C16 C17 C18 180.000 0.000 0
A88 CONST_9 C15 C16 C21 C20 180.000 0.000 0
A88 CONST_10 C16 C21 C20 C19 0.000 0.000 0
A88 CONST_11 C21 C20 C19 C18 0.000 0.000 0
A88 CONST_12 C20 C19 C18 C17 0.000 0.000 0
A88 CONST_13 C19 C18 C17 C16 0.000 0.000 0
A88 var_9 N4 C5 C6 C7 84.902 20.000 3
A88 var_10 C5 C6 O6 HO6 179.986 20.000 1
A88 var_11 C5 C6 C7 N1 -31.813 20.000 3
A88 var_12 C6 C7 N1 N2 -56.001 20.000 1
A88 var_13 C7 N1 C8 C9 -74.047 20.000 1
A88 var_14 N1 C8 C9 C14 -85.318 20.000 2
A88 CONST_14 C8 C9 C10 C11 180.000 0.000 0
A88 CONST_15 C8 C9 C14 C13 180.000 0.000 0
A88 CONST_16 C9 C14 C13 C12 0.000 0.000 0
A88 CONST_17 C14 C13 C12 C11 0.000 0.000 0
A88 CONST_18 C13 C12 C11 C10 0.000 0.000 0
A88 CONST_19 C12 C11 C10 C9 0.000 0.000 0
A88 var_15 C7 N1 N2 C32 -96.588 20.000 1
A88 CONST_20 N1 N2 C3 O3 180.000 0.000 0
A88 var_16 N1 N2 C32 C33 98.045 20.000 1
A88 var_17 N2 C32 C33 C38 -96.029 20.000 2
A88 CONST_21 C32 C33 C34 C35 180.000 0.000 0
A88 CONST_22 C32 C33 C38 C37 180.000 0.000 0
A88 CONST_23 C33 C38 C37 C36 0.000 0.000 0
A88 var_18 C38 C37 O40 C41 0.184 20.000 1
A88 var_19 C37 O40 C41 H411 179.984 20.000 1
A88 CONST_24 C38 C37 C36 C35 0.000 0.000 0
A88 var_20 C37 C36 O39 HO3 -89.995 20.000 1
A88 CONST_25 C37 C36 C35 C34 0.000 0.000 0
A88 CONST_26 C36 C35 C34 C33 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
A88 chir_01 N1 N2 C7 C8 negativ
A88 chir_02 C5 N4 C6 C15 negativ
A88 chir_03 C6 C5 O6 C7 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
A88 plan-1 N2 0.020
A88 plan-1 N1 0.020
A88 plan-1 C3 0.020
A88 plan-1 C32 0.020
A88 plan-2 C3 0.020
A88 plan-2 N2 0.020
A88 plan-2 O3 0.020
A88 plan-2 N4 0.020
A88 plan-3 N4 0.020
A88 plan-3 C3 0.020
A88 plan-3 C5 0.020
A88 plan-3 C22 0.020
A88 plan-4 C9 0.020
A88 plan-4 C8 0.020
A88 plan-4 C10 0.020
A88 plan-4 C14 0.020
A88 plan-4 C11 0.020
A88 plan-4 C12 0.020
A88 plan-4 C13 0.020
A88 plan-4 H10 0.020
A88 plan-4 H11 0.020
A88 plan-4 H12 0.020
A88 plan-4 H13 0.020
A88 plan-4 H14 0.020
A88 plan-5 C16 0.020
A88 plan-5 C15 0.020
A88 plan-5 C17 0.020
A88 plan-5 C21 0.020
A88 plan-5 C18 0.020
A88 plan-5 C19 0.020
A88 plan-5 C20 0.020
A88 plan-5 H17 0.020
A88 plan-5 H18 0.020
A88 plan-5 H19 0.020
A88 plan-5 H20 0.020
A88 plan-5 H21 0.020
A88 plan-6 C23 0.020
A88 plan-6 C22 0.020
A88 plan-6 C24 0.020
A88 plan-6 C28 0.020
A88 plan-6 C25 0.020
A88 plan-6 C26 0.020
A88 plan-6 C27 0.020
A88 plan-6 H24 0.020
A88 plan-6 O30 0.020
A88 plan-6 O29 0.020
A88 plan-6 H27 0.020
A88 plan-6 H28 0.020
A88 plan-7 C33 0.020
A88 plan-7 C32 0.020
A88 plan-7 C34 0.020
A88 plan-7 C38 0.020
A88 plan-7 C35 0.020
A88 plan-7 C36 0.020
A88 plan-7 C37 0.020
A88 plan-7 H34 0.020
A88 plan-7 H35 0.020
A88 plan-7 O39 0.020
A88 plan-7 O40 0.020
A88 plan-7 H38 0.020
# ------------------------------------------------------
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