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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
22X 22X '(3R)-3-[(1S)-4-(acetylamino)-1-(3-ch' non-polymer 81 36 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_22X
#
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
22X O3 O O 0.000 0.000 0.000 0.000
22X C11 C C 0.000 0.044 0.666 1.012
22X C12 C CH3 0.000 1.370 0.947 1.672
22X H12B H H 0.000 2.146 0.486 1.118
22X H12A H H 0.000 1.535 1.993 1.706
22X H12 H H 0.000 1.364 0.560 2.658
22X N1 N NH1 0.000 -1.092 1.157 1.546
22X HN1 H H 0.000 -1.055 1.713 2.388
22X C10 C CH2 0.000 -2.381 0.884 0.904
22X H10 H H 0.000 -2.548 -0.195 0.869
22X H10A H H 0.000 -2.372 1.282 -0.113
22X C9 C CH2 0.000 -3.501 1.550 1.705
22X H9 H H 0.000 -3.331 2.628 1.740
22X H9A H H 0.000 -3.508 1.151 2.722
22X C8 C CH2 0.000 -4.846 1.265 1.035
22X H8 H H 0.000 -5.014 0.187 1.000
22X H8A H H 0.000 -4.838 1.664 0.018
22X C1 C CT 0.000 -5.967 1.932 1.837
22X O1 O OH1 0.000 -5.976 1.409 3.166
22X HO1 H H 0.000 -6.126 0.454 3.135
22X C2 C CR6 0.000 -5.734 3.419 1.883
22X C4 C CR16 0.000 -6.262 4.233 0.899
22X H4 H H 0.000 -6.843 3.802 0.093
22X C6 C CR6 0.000 -6.049 5.599 0.942
22X C7 C CR16 0.000 -5.306 6.150 1.973
22X H7 H H 0.000 -5.143 7.220 2.010
22X C5 C CR16 0.000 -4.774 5.336 2.953
22X H5 H H 0.000 -4.189 5.767 3.756
22X C3 C CR16 0.000 -4.988 3.970 2.909
22X H3 H H 0.000 -4.570 3.332 3.678
22X CL1 CL CL 0.000 -6.711 6.622 -0.294
22X C25 C CH1 0.000 -7.312 1.646 1.166
22X H25 H H 0.000 -7.304 2.045 0.142
22X C26 C CH2 0.000 -7.546 0.133 1.126
22X H26A H H 0.000 -7.462 -0.281 2.133
22X H26 H H 0.000 -6.806 -0.338 0.476
22X C24 C CH2 0.000 -8.430 2.311 1.965
22X H24 H H 0.000 -8.248 3.386 2.019
22X H24A H H 0.000 -8.452 1.895 2.974
22X C23 C CH2 0.000 -9.772 2.052 1.275
22X H23 H H 0.000 -9.740 2.444 0.256
22X H23A H H 0.000 -10.569 2.550 1.830
22X C27 C CH2 0.000 -10.039 0.544 1.237
22X H27 H H 0.000 -10.945 0.344 0.660
22X H27A H H 0.000 -10.164 0.165 2.253
22X N4 N N 0.000 -8.894 -0.123 0.601
22X C22 C C 0.000 -9.077 -0.949 -0.448
22X O2 O O 0.000 -8.134 -1.562 -0.911
22X N3 N NH1 0.000 -10.306 -1.097 -0.984
22X HN3 H H 0.000 -11.102 -0.650 -0.553
22X C13 C CH1 0.000 -10.484 -1.905 -2.193
22X H13 H H 0.000 -9.785 -2.752 -2.174
22X C14 C CH2 0.000 -10.210 -1.044 -3.428
22X H14 H H 0.000 -10.961 -0.254 -3.495
22X H14A H H 0.000 -10.257 -1.667 -4.323
22X N2 N NH1 0.000 -8.874 -0.443 -3.317
22X HN2 H H 0.000 -8.245 -0.585 -2.540
22X C28 C CH3 0.000 -8.574 0.392 -4.488
22X H28B H H 0.000 -9.289 1.172 -4.564
22X H28A H H 0.000 -7.607 0.814 -4.388
22X H28 H H 0.000 -8.608 -0.200 -5.368
22X C15 C CH2 0.000 -11.921 -2.430 -2.247
22X H15 H H 0.000 -12.081 -2.956 -3.190
22X H15A H H 0.000 -12.617 -1.591 -2.176
22X C16 C CH1 0.000 -12.157 -3.390 -1.079
22X H16 H H 0.000 -11.910 -2.886 -0.134
22X C20 C CH2 0.000 -11.268 -4.624 -1.246
22X H20 H H 0.000 -10.220 -4.318 -1.261
22X H20A H H 0.000 -11.513 -5.124 -2.186
22X C21 C CH2 0.000 -11.504 -5.584 -0.079
22X H21 H H 0.000 -11.257 -5.083 0.860
22X H21A H H 0.000 -10.869 -6.465 -0.198
22X C19 C CH2 0.000 -12.973 -6.012 -0.059
22X H19 H H 0.000 -13.141 -6.698 0.773
22X H19A H H 0.000 -13.218 -6.514 -0.998
22X C18 C CH2 0.000 -13.863 -4.778 0.108
22X H18 H H 0.000 -13.618 -4.278 1.047
22X H18A H H 0.000 -14.911 -5.084 0.122
22X C17 C CH2 0.000 -13.626 -3.818 -1.060
22X H17A H H 0.000 -14.261 -2.938 -0.941
22X H17 H H 0.000 -13.872 -4.320 -1.998
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
22X O3 n/a C11 START
22X C11 O3 N1 .
22X C12 C11 H12 .
22X H12B C12 . .
22X H12A C12 . .
22X H12 C12 . .
22X N1 C11 C10 .
22X HN1 N1 . .
22X C10 N1 C9 .
22X H10 C10 . .
22X H10A C10 . .
22X C9 C10 C8 .
22X H9 C9 . .
22X H9A C9 . .
22X C8 C9 C1 .
22X H8 C8 . .
22X H8A C8 . .
22X C1 C8 C25 .
22X O1 C1 HO1 .
22X HO1 O1 . .
22X C2 C1 C4 .
22X C4 C2 C6 .
22X H4 C4 . .
22X C6 C4 CL1 .
22X C7 C6 C5 .
22X H7 C7 . .
22X C5 C7 C3 .
22X H5 C5 . .
22X C3 C5 H3 .
22X H3 C3 . .
22X CL1 C6 . .
22X C25 C1 C24 .
22X H25 C25 . .
22X C26 C25 H26 .
22X H26A C26 . .
22X H26 C26 . .
22X C24 C25 C23 .
22X H24 C24 . .
22X H24A C24 . .
22X C23 C24 C27 .
22X H23 C23 . .
22X H23A C23 . .
22X C27 C23 N4 .
22X H27 C27 . .
22X H27A C27 . .
22X N4 C27 C22 .
22X C22 N4 N3 .
22X O2 C22 . .
22X N3 C22 C13 .
22X HN3 N3 . .
22X C13 N3 C15 .
22X H13 C13 . .
22X C14 C13 N2 .
22X H14 C14 . .
22X H14A C14 . .
22X N2 C14 C28 .
22X HN2 N2 . .
22X C28 N2 H28 .
22X H28B C28 . .
22X H28A C28 . .
22X H28 C28 . .
22X C15 C13 C16 .
22X H15 C15 . .
22X H15A C15 . .
22X C16 C15 C20 .
22X H16 C16 . .
22X C20 C16 C21 .
22X H20 C20 . .
22X H20A C20 . .
22X C21 C20 C19 .
22X H21 C21 . .
22X H21A C21 . .
22X C19 C21 C18 .
22X H19 C19 . .
22X H19A C19 . .
22X C18 C19 C17 .
22X H18 C18 . .
22X H18A C18 . .
22X C17 C18 H17 .
22X H17A C17 . .
22X H17 C17 . END
22X C2 C3 . ADD
22X N4 C26 . ADD
22X C16 C17 . 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
22X O1 C1 single 1.432 0.020
22X C2 C1 single 1.500 0.020
22X C1 C8 single 1.524 0.020
22X C25 C1 single 1.524 0.020
22X C10 N1 single 1.450 0.020
22X N1 C11 single 1.330 0.020
22X CL1 C6 single 1.795 0.020
22X C2 C3 double 1.390 0.020
22X C4 C2 single 1.390 0.020
22X N2 C14 single 1.450 0.020
22X C28 N2 single 1.450 0.020
22X O2 C22 double 1.220 0.020
22X C3 C5 single 1.390 0.020
22X C13 N3 single 1.450 0.020
22X N3 C22 single 1.330 0.020
22X C11 O3 double 1.220 0.020
22X C6 C4 double 1.390 0.020
22X C22 N4 single 1.330 0.020
22X N4 C26 single 1.455 0.020
22X N4 C27 single 1.455 0.020
22X C5 C7 double 1.390 0.020
22X C7 C6 single 1.390 0.020
22X C8 C9 single 1.524 0.020
22X C9 C10 single 1.524 0.020
22X C12 C11 single 1.500 0.020
22X C14 C13 single 1.524 0.020
22X C15 C13 single 1.524 0.020
22X C16 C15 single 1.524 0.020
22X C16 C17 single 1.524 0.020
22X C20 C16 single 1.524 0.020
22X C17 C18 single 1.524 0.020
22X C18 C19 single 1.524 0.020
22X C19 C21 single 1.524 0.020
22X C21 C20 single 1.524 0.020
22X C23 C24 single 1.524 0.020
22X C27 C23 single 1.524 0.020
22X C24 C25 single 1.524 0.020
22X C26 C25 single 1.524 0.020
22X HN1 N1 single 1.010 0.020
22X HO1 O1 single 0.967 0.020
22X HN2 N2 single 1.010 0.020
22X H3 C3 single 1.083 0.020
22X HN3 N3 single 1.010 0.020
22X H4 C4 single 1.083 0.020
22X H5 C5 single 1.083 0.020
22X H7 C7 single 1.083 0.020
22X H8 C8 single 1.092 0.020
22X H8A C8 single 1.092 0.020
22X H9 C9 single 1.092 0.020
22X H9A C9 single 1.092 0.020
22X H10 C10 single 1.092 0.020
22X H10A C10 single 1.092 0.020
22X H12 C12 single 1.059 0.020
22X H12A C12 single 1.059 0.020
22X H12B C12 single 1.059 0.020
22X H13 C13 single 1.099 0.020
22X H14 C14 single 1.092 0.020
22X H14A C14 single 1.092 0.020
22X H15 C15 single 1.092 0.020
22X H15A C15 single 1.092 0.020
22X H16 C16 single 1.099 0.020
22X H17 C17 single 1.092 0.020
22X H17A C17 single 1.092 0.020
22X H18 C18 single 1.092 0.020
22X H18A C18 single 1.092 0.020
22X H19 C19 single 1.092 0.020
22X H19A C19 single 1.092 0.020
22X H20 C20 single 1.092 0.020
22X H20A C20 single 1.092 0.020
22X H21 C21 single 1.092 0.020
22X H21A C21 single 1.092 0.020
22X H23 C23 single 1.092 0.020
22X H23A C23 single 1.092 0.020
22X H24 C24 single 1.092 0.020
22X H24A C24 single 1.092 0.020
22X H25 C25 single 1.099 0.020
22X H26 C26 single 1.092 0.020
22X H26A C26 single 1.092 0.020
22X H27 C27 single 1.092 0.020
22X H27A C27 single 1.092 0.020
22X H28 C28 single 1.059 0.020
22X H28A C28 single 1.059 0.020
22X H28B 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
22X O3 C11 C12 123.000 3.000
22X O3 C11 N1 123.000 3.000
22X C12 C11 N1 116.500 3.000
22X C11 C12 H12B 109.470 3.000
22X C11 C12 H12A 109.470 3.000
22X C11 C12 H12 109.470 3.000
22X H12B C12 H12A 109.470 3.000
22X H12B C12 H12 109.470 3.000
22X H12A C12 H12 109.470 3.000
22X C11 N1 HN1 120.000 3.000
22X C11 N1 C10 121.500 3.000
22X HN1 N1 C10 118.500 3.000
22X N1 C10 H10 109.470 3.000
22X N1 C10 H10A 109.470 3.000
22X N1 C10 C9 112.000 3.000
22X H10 C10 H10A 107.900 3.000
22X H10 C10 C9 109.470 3.000
22X H10A C10 C9 109.470 3.000
22X C10 C9 H9 109.470 3.000
22X C10 C9 H9A 109.470 3.000
22X C10 C9 C8 111.000 3.000
22X H9 C9 H9A 107.900 3.000
22X H9 C9 C8 109.470 3.000
22X H9A C9 C8 109.470 3.000
22X C9 C8 H8 109.470 3.000
22X C9 C8 H8A 109.470 3.000
22X C9 C8 C1 111.000 3.000
22X H8 C8 H8A 107.900 3.000
22X H8 C8 C1 109.470 3.000
22X H8A C8 C1 109.470 3.000
22X C8 C1 O1 109.470 3.000
22X C8 C1 C2 109.500 3.000
22X C8 C1 C25 111.000 3.000
22X O1 C1 C2 109.500 3.000
22X O1 C1 C25 109.470 3.000
22X C2 C1 C25 109.500 3.000
22X C1 O1 HO1 109.470 3.000
22X C1 C2 C4 120.000 3.000
22X C1 C2 C3 120.000 3.000
22X C4 C2 C3 120.000 3.000
22X C2 C4 H4 120.000 3.000
22X C2 C4 C6 120.000 3.000
22X H4 C4 C6 120.000 3.000
22X C4 C6 C7 120.000 3.000
22X C4 C6 CL1 120.000 3.000
22X C7 C6 CL1 120.000 3.000
22X C6 C7 H7 120.000 3.000
22X C6 C7 C5 120.000 3.000
22X H7 C7 C5 120.000 3.000
22X C7 C5 H5 120.000 3.000
22X C7 C5 C3 120.000 3.000
22X H5 C5 C3 120.000 3.000
22X C5 C3 H3 120.000 3.000
22X C5 C3 C2 120.000 3.000
22X H3 C3 C2 120.000 3.000
22X C1 C25 H25 108.340 3.000
22X C1 C25 C26 111.000 3.000
22X C1 C25 C24 111.000 3.000
22X H25 C25 C26 108.340 3.000
22X H25 C25 C24 108.340 3.000
22X C26 C25 C24 109.470 3.000
22X C25 C26 H26A 109.470 3.000
22X C25 C26 H26 109.470 3.000
22X C25 C26 N4 105.000 3.000
22X H26A C26 H26 107.900 3.000
22X H26A C26 N4 109.470 3.000
22X H26 C26 N4 109.470 3.000
22X C25 C24 H24 109.470 3.000
22X C25 C24 H24A 109.470 3.000
22X C25 C24 C23 111.000 3.000
22X H24 C24 H24A 107.900 3.000
22X H24 C24 C23 109.470 3.000
22X H24A C24 C23 109.470 3.000
22X C24 C23 H23 109.470 3.000
22X C24 C23 H23A 109.470 3.000
22X C24 C23 C27 111.000 3.000
22X H23 C23 H23A 107.900 3.000
22X H23 C23 C27 109.470 3.000
22X H23A C23 C27 109.470 3.000
22X C23 C27 H27 109.470 3.000
22X C23 C27 H27A 109.470 3.000
22X C23 C27 N4 105.000 3.000
22X H27 C27 H27A 107.900 3.000
22X H27 C27 N4 109.470 3.000
22X H27A C27 N4 109.470 3.000
22X C27 N4 C22 127.000 3.000
22X C27 N4 C26 120.000 3.000
22X C22 N4 C26 127.000 3.000
22X N4 C22 O2 123.000 3.000
22X N4 C22 N3 120.000 3.000
22X O2 C22 N3 123.000 3.000
22X C22 N3 HN3 120.000 3.000
22X C22 N3 C13 121.500 3.000
22X HN3 N3 C13 118.500 3.000
22X N3 C13 H13 108.550 3.000
22X N3 C13 C14 110.000 3.000
22X N3 C13 C15 110.000 3.000
22X H13 C13 C14 108.340 3.000
22X H13 C13 C15 108.340 3.000
22X C14 C13 C15 109.470 3.000
22X C13 C14 H14 109.470 3.000
22X C13 C14 H14A 109.470 3.000
22X C13 C14 N2 110.000 3.000
22X H14 C14 H14A 107.900 3.000
22X H14 C14 N2 109.470 3.000
22X H14A C14 N2 109.470 3.000
22X C14 N2 HN2 118.500 3.000
22X C14 N2 C28 120.000 3.000
22X HN2 N2 C28 118.500 3.000
22X N2 C28 H28B 109.470 3.000
22X N2 C28 H28A 109.470 3.000
22X N2 C28 H28 109.470 3.000
22X H28B C28 H28A 109.470 3.000
22X H28B C28 H28 109.470 3.000
22X H28A C28 H28 109.470 3.000
22X C13 C15 H15 109.470 3.000
22X C13 C15 H15A 109.470 3.000
22X C13 C15 C16 111.000 3.000
22X H15 C15 H15A 107.900 3.000
22X H15 C15 C16 109.470 3.000
22X H15A C15 C16 109.470 3.000
22X C15 C16 H16 108.340 3.000
22X C15 C16 C20 109.470 3.000
22X C15 C16 C17 109.470 3.000
22X H16 C16 C20 108.340 3.000
22X H16 C16 C17 108.340 3.000
22X C20 C16 C17 109.470 3.000
22X C16 C20 H20 109.470 3.000
22X C16 C20 H20A 109.470 3.000
22X C16 C20 C21 111.000 3.000
22X H20 C20 H20A 107.900 3.000
22X H20 C20 C21 109.470 3.000
22X H20A C20 C21 109.470 3.000
22X C20 C21 H21 109.470 3.000
22X C20 C21 H21A 109.470 3.000
22X C20 C21 C19 111.000 3.000
22X H21 C21 H21A 107.900 3.000
22X H21 C21 C19 109.470 3.000
22X H21A C21 C19 109.470 3.000
22X C21 C19 H19 109.470 3.000
22X C21 C19 H19A 109.470 3.000
22X C21 C19 C18 111.000 3.000
22X H19 C19 H19A 107.900 3.000
22X H19 C19 C18 109.470 3.000
22X H19A C19 C18 109.470 3.000
22X C19 C18 H18 109.470 3.000
22X C19 C18 H18A 109.470 3.000
22X C19 C18 C17 111.000 3.000
22X H18 C18 H18A 107.900 3.000
22X H18 C18 C17 109.470 3.000
22X H18A C18 C17 109.470 3.000
22X C18 C17 H17A 109.470 3.000
22X C18 C17 H17 109.470 3.000
22X C18 C17 C16 111.000 3.000
22X H17A C17 H17 107.900 3.000
22X H17A C17 C16 109.470 3.000
22X H17 C17 C16 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
22X var_1 O3 C11 C12 H12 -120.052 20.000 1
22X CONST_1 O3 C11 N1 C10 0.000 0.000 0
22X var_2 C11 N1 C10 C9 179.972 20.000 3
22X var_3 N1 C10 C9 C8 179.979 20.000 3
22X var_4 C10 C9 C8 C1 180.000 20.000 3
22X var_5 C9 C8 C1 C25 180.000 20.000 1
22X var_6 C8 C1 O1 HO1 -60.041 20.000 1
22X var_7 C8 C1 C2 C4 89.729 20.000 1
22X CONST_2 C1 C2 C3 C5 180.000 0.000 0
22X CONST_3 C1 C2 C4 C6 180.000 0.000 0
22X CONST_4 C2 C4 C6 CL1 180.000 0.000 0
22X CONST_5 C4 C6 C7 C5 0.000 0.000 0
22X CONST_6 C6 C7 C5 C3 0.000 0.000 0
22X CONST_7 C7 C5 C3 C2 0.000 0.000 0
22X var_8 C8 C1 C25 C24 -179.991 20.000 1
22X var_9 C1 C25 C26 N4 180.000 20.000 3
22X var_10 C1 C25 C24 C23 180.000 20.000 3
22X var_11 C25 C24 C23 C27 60.000 20.000 3
22X var_12 C24 C23 C27 N4 -60.000 20.000 3
22X var_13 C23 C27 N4 C22 -120.000 20.000 1
22X var_14 C27 N4 C26 C25 -60.000 20.000 1
22X CONST_8 C27 N4 C22 N3 0.000 0.000 0
22X CONST_9 N4 C22 N3 C13 180.000 0.000 0
22X var_15 C22 N3 C13 C15 154.999 20.000 3
22X var_16 N3 C13 C14 N2 55.043 20.000 3
22X var_17 C13 C14 N2 C28 179.963 20.000 3
22X var_18 C14 N2 C28 H28 -59.947 20.000 1
22X var_19 N3 C13 C15 C16 -65.023 20.000 3
22X var_20 C13 C15 C16 C20 -64.958 20.000 3
22X var_21 C15 C16 C17 C18 180.000 20.000 3
22X var_22 C15 C16 C20 C21 180.000 20.000 3
22X var_23 C16 C20 C21 C19 60.000 20.000 3
22X var_24 C20 C21 C19 C18 -60.000 20.000 3
22X var_25 C21 C19 C18 C17 60.000 20.000 3
22X var_26 C19 C18 C17 C16 -60.000 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
22X chir_01 C1 O1 C2 C8 negativ
22X chir_02 C13 N3 C14 C15 positiv
22X chir_03 C16 C15 C17 C20 negativ
22X chir_04 C25 C1 C24 C26 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
22X plan-1 N1 0.020
22X plan-1 C10 0.020
22X plan-1 C11 0.020
22X plan-1 HN1 0.020
22X plan-2 C2 0.020
22X plan-2 C1 0.020
22X plan-2 C3 0.020
22X plan-2 C4 0.020
22X plan-2 C5 0.020
22X plan-2 C6 0.020
22X plan-2 C7 0.020
22X plan-2 H3 0.020
22X plan-2 H4 0.020
22X plan-2 H5 0.020
22X plan-2 CL1 0.020
22X plan-2 H7 0.020
22X plan-3 N2 0.020
22X plan-3 C14 0.020
22X plan-3 C28 0.020
22X plan-3 HN2 0.020
22X plan-4 N3 0.020
22X plan-4 C13 0.020
22X plan-4 C22 0.020
22X plan-4 HN3 0.020
22X plan-5 N4 0.020
22X plan-5 C22 0.020
22X plan-5 C26 0.020
22X plan-5 C27 0.020
22X plan-6 C11 0.020
22X plan-6 N1 0.020
22X plan-6 O3 0.020
22X plan-6 C12 0.020
22X plan-6 HN1 0.020
22X plan-7 C22 0.020
22X plan-7 O2 0.020
22X plan-7 N3 0.020
22X plan-7 N4 0.020
22X plan-7 HN3 0.020
# ------------------------------------------------------
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