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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
SLT SLT '5-(ACETYLAMINO)-3,5-DIDEOXYNON-2-ULO' non-polymer 81 43 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_SLT
#
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
SLT O19 O OC -0.500 0.000 0.000 0.000
SLT C19 C C 0.000 -0.209 -1.090 -0.578
SLT O20 O OC -0.500 0.493 -1.423 -1.559
SLT C9 C CT 0.000 -1.308 -2.000 -0.095
SLT C10 C CH2 0.000 -0.861 -3.456 -0.241
SLT H101 H H 0.000 -0.666 -3.677 -1.293
SLT H102 H H 0.000 -1.645 -4.120 0.130
SLT C11 C CH1 0.000 0.419 -3.671 0.573
SLT H17 H H 0.000 1.238 -3.084 0.134
SLT O11 O OH1 0.000 0.767 -5.057 0.570
SLT H18 H H 0.000 0.924 -5.347 -0.339
SLT C12 C CH1 0.000 0.170 -3.207 2.011
SLT H12 H H 0.000 -0.574 -3.863 2.485
SLT N12 N NH1 0.000 1.422 -3.259 2.768
SLT H11 H H 0.000 2.032 -2.455 2.791
SLT C17 C C 0.000 1.762 -4.381 3.434
SLT C18 C CH3 0.000 3.051 -4.436 4.212
SLT H183 H H 0.000 3.868 -4.271 3.558
SLT H182 H H 0.000 3.045 -3.688 4.962
SLT H181 H H 0.000 3.151 -5.388 4.666
SLT O17 O O 0.000 1.030 -5.348 3.405
SLT O13 O O2 0.000 -1.588 -1.716 1.275
SLT C13 C CH1 0.000 -0.356 -1.770 1.990
SLT H13 H H 0.000 0.380 -1.120 1.497
SLT C14 C CH1 0.000 -0.579 -1.287 3.424
SLT H14 H H 0.000 0.375 -1.305 3.970
SLT C15 C CH1 0.000 -1.126 0.142 3.401
SLT H15 H H 0.000 -2.106 0.152 2.903
SLT C16 C CH2 0.000 -1.277 0.653 4.835
SLT H161 H H 0.000 -0.303 0.642 5.329
SLT H162 H H 0.000 -1.967 0.006 5.380
SLT O16 O OH1 0.000 -1.788 1.988 4.814
SLT H16 H H 0.000 -1.883 2.310 5.721
SLT O15 O OH1 0.000 -0.221 0.987 2.687
SLT H10 H H 0.000 0.641 0.978 3.126
SLT O14 O OH1 0.000 -1.517 -2.144 4.075
SLT H9 H H 0.000 -2.355 -2.127 3.594
SLT O9 O O2 0.000 -2.483 -1.782 -0.876
SLT C3 C CH1 0.000 -2.908 -0.442 -0.619
SLT H3 H H 0.000 -2.273 0.003 0.159
SLT C2 C CH1 0.000 -4.367 -0.444 -0.154
SLT H2 H H 0.000 -4.984 -0.986 -0.885
SLT O2 O OH1 0.000 -4.470 -1.082 1.121
SLT HO2 H H 0.000 -5.392 -1.075 1.410
SLT C1 C CH1 0.000 -4.858 1.001 -0.045
SLT H1 H H 0.000 -4.227 1.548 0.670
SLT O5 O O2 0.000 -4.787 1.635 -1.320
SLT C5 C CH1 0.000 -3.408 1.767 -1.660
SLT H5 H H 0.000 -2.874 2.260 -0.835
SLT C6 C CH2 0.000 -3.277 2.613 -2.929
SLT H61 H H 0.000 -3.805 2.122 -3.749
SLT H62 H H 0.000 -2.221 2.718 -3.188
SLT O6 O OH1 0.000 -3.844 3.905 -2.701
SLT HO6 H H 0.000 -3.761 4.439 -3.503
SLT C4 C CH1 0.000 -2.800 0.384 -1.906
SLT H4 H H 0.000 -1.743 0.492 -2.186
SLT O4 O OH1 0.000 -3.509 -0.272 -2.957
SLT HO4 H H 0.000 -3.440 0.252 -3.767
SLT O1 O O2 0.000 -6.211 1.009 0.414
SLT C4A C CH1 0.000 -6.543 2.370 0.697
SLT H4A H H 0.000 -5.690 3.016 0.447
SLT C3A C CH1 0.000 -7.761 2.784 -0.134
SLT H3A H H 0.000 -8.582 2.073 0.035
SLT O3A O OH1 0.000 -7.414 2.796 -1.521
SLT H6 H H 0.000 -8.185 3.057 -2.043
SLT C2A C CH1 0.000 -8.199 4.187 0.300
SLT H2A H H 0.000 -7.419 4.914 0.034
SLT O2A O OH1 0.000 -9.419 4.535 -0.356
SLT H7 H H 0.000 -9.692 5.420 -0.079
SLT C1A C CH1 0.000 -8.410 4.196 1.816
SLT H1A H H 0.000 -8.747 5.193 2.133
SLT O1A O OH1 0.000 -9.403 3.228 2.162
SLT H8 H H 0.000 -9.537 3.232 3.119
SLT O5A O O2 0.000 -7.188 3.876 2.477
SLT C5A C CH1 0.000 -6.878 2.516 2.183
SLT H5A H H 0.000 -7.745 1.884 2.424
SLT C6A C CH2 0.000 -5.678 2.074 3.023
SLT H6A1 H H 0.000 -4.818 2.702 2.785
SLT H6A2 H H 0.000 -5.441 1.032 2.797
SLT O6A O OH1 0.000 -5.994 2.202 4.411
SLT H6A H H 0.000 -5.236 1.922 4.941
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
SLT O19 n/a C19 START
SLT C19 O19 C9 .
SLT O20 C19 . .
SLT C9 C19 O9 .
SLT C10 C9 C11 .
SLT H101 C10 . .
SLT H102 C10 . .
SLT C11 C10 C12 .
SLT H17 C11 . .
SLT O11 C11 H18 .
SLT H18 O11 . .
SLT C12 C11 N12 .
SLT H12 C12 . .
SLT N12 C12 C17 .
SLT H11 N12 . .
SLT C17 N12 O17 .
SLT C18 C17 H181 .
SLT H183 C18 . .
SLT H182 C18 . .
SLT H181 C18 . .
SLT O17 C17 . .
SLT O13 C9 C13 .
SLT C13 O13 C14 .
SLT H13 C13 . .
SLT C14 C13 O14 .
SLT H14 C14 . .
SLT C15 C14 O15 .
SLT H15 C15 . .
SLT C16 C15 O16 .
SLT H161 C16 . .
SLT H162 C16 . .
SLT O16 C16 H16 .
SLT H16 O16 . .
SLT O15 C15 H10 .
SLT H10 O15 . .
SLT O14 C14 H9 .
SLT H9 O14 . .
SLT O9 C9 C3 .
SLT C3 O9 C2 .
SLT H3 C3 . .
SLT C2 C3 C1 .
SLT H2 C2 . .
SLT O2 C2 HO2 .
SLT HO2 O2 . .
SLT C1 C2 O1 .
SLT H1 C1 . .
SLT O5 C1 C5 .
SLT C5 O5 C4 .
SLT H5 C5 . .
SLT C6 C5 O6 .
SLT H61 C6 . .
SLT H62 C6 . .
SLT O6 C6 HO6 .
SLT HO6 O6 . .
SLT C4 C5 O4 .
SLT H4 C4 . .
SLT O4 C4 HO4 .
SLT HO4 O4 . .
SLT O1 C1 C4A .
SLT C4A O1 C3A .
SLT H4A C4A . .
SLT C3A C4A C2A .
SLT H3A C3A . .
SLT O3A C3A H6 .
SLT H6 O3A . .
SLT C2A C3A C1A .
SLT H2A C2A . .
SLT O2A C2A H7 .
SLT H7 O2A . .
SLT C1A C2A O5A .
SLT H1A C1A . .
SLT O1A C1A H8 .
SLT H8 O1A . .
SLT O5A C1A C5A .
SLT C5A O5A C6A .
SLT H5A C5A . .
SLT C6A C5A O6A .
SLT H6A1 C6A . .
SLT H6A2 C6A . .
SLT O6A C6A H6A .
SLT H6A O6A . END
SLT C12 C13 . ADD
SLT C3 C4 . ADD
SLT C4A C5A . 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
SLT O17 C17 double 1.220 0.020
SLT C18 C17 single 1.500 0.020
SLT C17 N12 single 1.330 0.020
SLT H181 C18 single 1.059 0.020
SLT H182 C18 single 1.059 0.020
SLT H183 C18 single 1.059 0.020
SLT N12 C12 single 1.450 0.020
SLT H11 N12 single 1.010 0.020
SLT C12 C13 single 1.524 0.020
SLT C12 C11 single 1.524 0.020
SLT H12 C12 single 1.099 0.020
SLT C13 O13 single 1.426 0.020
SLT C14 C13 single 1.524 0.020
SLT H13 C13 single 1.099 0.020
SLT O13 C9 single 1.426 0.020
SLT O14 C14 single 1.432 0.020
SLT C15 C14 single 1.524 0.020
SLT H14 C14 single 1.099 0.020
SLT H9 O14 single 0.967 0.020
SLT O15 C15 single 1.432 0.020
SLT C16 C15 single 1.524 0.020
SLT H15 C15 single 1.099 0.020
SLT H10 O15 single 0.967 0.020
SLT O16 C16 single 1.432 0.020
SLT H161 C16 single 1.092 0.020
SLT H162 C16 single 1.092 0.020
SLT H16 O16 single 0.967 0.020
SLT O11 C11 single 1.432 0.020
SLT C11 C10 single 1.524 0.020
SLT H17 C11 single 1.099 0.020
SLT H18 O11 single 0.967 0.020
SLT C10 C9 single 1.524 0.020
SLT H101 C10 single 1.092 0.020
SLT H102 C10 single 1.092 0.020
SLT C9 C19 single 1.507 0.020
SLT O9 C9 single 1.426 0.020
SLT O20 C19 deloc 1.250 0.020
SLT C19 O19 deloc 1.250 0.020
SLT C3 O9 single 1.426 0.020
SLT C3 C4 single 1.524 0.020
SLT C2 C3 single 1.524 0.020
SLT H3 C3 single 1.099 0.020
SLT C4 C5 single 1.524 0.020
SLT O4 C4 single 1.432 0.020
SLT H4 C4 single 1.099 0.020
SLT C5 O5 single 1.426 0.020
SLT C6 C5 single 1.524 0.020
SLT H5 C5 single 1.099 0.020
SLT O5 C1 single 1.426 0.020
SLT O6 C6 single 1.432 0.020
SLT H61 C6 single 1.092 0.020
SLT H62 C6 single 1.092 0.020
SLT HO6 O6 single 0.967 0.020
SLT HO4 O4 single 0.967 0.020
SLT O2 C2 single 1.432 0.020
SLT C1 C2 single 1.524 0.020
SLT H2 C2 single 1.099 0.020
SLT HO2 O2 single 0.967 0.020
SLT O1 C1 single 1.426 0.020
SLT H1 C1 single 1.099 0.020
SLT C4A O1 single 1.426 0.020
SLT C4A C5A single 1.524 0.020
SLT C3A C4A single 1.524 0.020
SLT H4A C4A single 1.099 0.020
SLT C5A O5A single 1.426 0.020
SLT C6A C5A single 1.524 0.020
SLT H5A C5A single 1.099 0.020
SLT O5A C1A single 1.426 0.020
SLT O6A C6A single 1.432 0.020
SLT H6A1 C6A single 1.092 0.020
SLT H6A2 C6A single 1.092 0.020
SLT H6A O6A single 0.967 0.020
SLT O3A C3A single 1.432 0.020
SLT C2A C3A single 1.524 0.020
SLT H3A C3A single 1.099 0.020
SLT H6 O3A single 0.967 0.020
SLT O2A C2A single 1.432 0.020
SLT C1A C2A single 1.524 0.020
SLT H2A C2A single 1.099 0.020
SLT H7 O2A single 0.967 0.020
SLT O1A C1A single 1.432 0.020
SLT H1A C1A single 1.099 0.020
SLT H8 O1A 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
SLT O19 C19 O20 123.000 3.000
SLT O19 C19 C9 118.500 3.000
SLT O20 C19 C9 118.500 3.000
SLT C19 C9 C10 109.470 3.000
SLT C19 C9 O13 109.470 3.000
SLT C19 C9 O9 109.470 3.000
SLT C10 C9 O13 109.470 3.000
SLT C10 C9 O9 109.470 3.000
SLT O13 C9 O9 109.500 3.000
SLT C9 C10 H101 109.470 3.000
SLT C9 C10 H102 109.470 3.000
SLT C9 C10 C11 111.000 3.000
SLT H101 C10 H102 107.900 3.000
SLT H101 C10 C11 109.470 3.000
SLT H102 C10 C11 109.470 3.000
SLT C10 C11 H17 108.340 3.000
SLT C10 C11 O11 109.470 3.000
SLT C10 C11 C12 111.000 3.000
SLT H17 C11 O11 109.470 3.000
SLT H17 C11 C12 108.340 3.000
SLT O11 C11 C12 109.470 3.000
SLT C11 O11 H18 109.470 3.000
SLT C11 C12 H12 108.340 3.000
SLT C11 C12 N12 110.000 3.000
SLT C11 C12 C13 111.000 3.000
SLT H12 C12 N12 108.550 3.000
SLT H12 C12 C13 108.340 3.000
SLT N12 C12 C13 110.000 3.000
SLT C12 N12 H11 118.500 3.000
SLT C12 N12 C17 121.500 3.000
SLT H11 N12 C17 120.000 3.000
SLT N12 C17 C18 116.500 3.000
SLT N12 C17 O17 123.000 3.000
SLT C18 C17 O17 123.000 3.000
SLT C17 C18 H183 109.470 3.000
SLT C17 C18 H182 109.470 3.000
SLT C17 C18 H181 109.470 3.000
SLT H183 C18 H182 109.470 3.000
SLT H183 C18 H181 109.470 3.000
SLT H182 C18 H181 109.470 3.000
SLT C9 O13 C13 111.800 3.000
SLT O13 C13 H13 109.470 3.000
SLT O13 C13 C14 109.470 3.000
SLT O13 C13 C12 109.470 3.000
SLT H13 C13 C14 108.340 3.000
SLT H13 C13 C12 108.340 3.000
SLT C14 C13 C12 111.000 3.000
SLT C13 C14 H14 108.340 3.000
SLT C13 C14 C15 111.000 3.000
SLT C13 C14 O14 109.470 3.000
SLT H14 C14 C15 108.340 3.000
SLT H14 C14 O14 109.470 3.000
SLT C15 C14 O14 109.470 3.000
SLT C14 C15 H15 108.340 3.000
SLT C14 C15 C16 111.000 3.000
SLT C14 C15 O15 109.470 3.000
SLT H15 C15 C16 108.340 3.000
SLT H15 C15 O15 109.470 3.000
SLT C16 C15 O15 109.470 3.000
SLT C15 C16 H161 109.470 3.000
SLT C15 C16 H162 109.470 3.000
SLT C15 C16 O16 109.470 3.000
SLT H161 C16 H162 107.900 3.000
SLT H161 C16 O16 109.470 3.000
SLT H162 C16 O16 109.470 3.000
SLT C16 O16 H16 109.470 3.000
SLT C15 O15 H10 109.470 3.000
SLT C14 O14 H9 109.470 3.000
SLT C9 O9 C3 111.800 3.000
SLT O9 C3 H3 109.470 3.000
SLT O9 C3 C2 109.470 3.000
SLT O9 C3 C4 109.470 3.000
SLT H3 C3 C2 108.340 3.000
SLT H3 C3 C4 108.340 3.000
SLT C2 C3 C4 111.000 3.000
SLT C3 C2 H2 108.340 3.000
SLT C3 C2 O2 109.470 3.000
SLT C3 C2 C1 111.000 3.000
SLT H2 C2 O2 109.470 3.000
SLT H2 C2 C1 108.340 3.000
SLT O2 C2 C1 109.470 3.000
SLT C2 O2 HO2 109.470 3.000
SLT C2 C1 H1 108.340 3.000
SLT C2 C1 O5 109.470 3.000
SLT C2 C1 O1 109.470 3.000
SLT H1 C1 O5 109.470 3.000
SLT H1 C1 O1 109.470 3.000
SLT O5 C1 O1 109.470 3.000
SLT C1 O5 C5 111.800 3.000
SLT O5 C5 H5 109.470 3.000
SLT O5 C5 C6 109.470 3.000
SLT O5 C5 C4 109.470 3.000
SLT H5 C5 C6 108.340 3.000
SLT H5 C5 C4 108.340 3.000
SLT C6 C5 C4 111.000 3.000
SLT C5 C6 H61 109.470 3.000
SLT C5 C6 H62 109.470 3.000
SLT C5 C6 O6 109.470 3.000
SLT H61 C6 H62 107.900 3.000
SLT H61 C6 O6 109.470 3.000
SLT H62 C6 O6 109.470 3.000
SLT C6 O6 HO6 109.470 3.000
SLT C5 C4 H4 108.340 3.000
SLT C5 C4 O4 109.470 3.000
SLT C5 C4 C3 111.000 3.000
SLT H4 C4 O4 109.470 3.000
SLT H4 C4 C3 108.340 3.000
SLT O4 C4 C3 109.470 3.000
SLT C4 O4 HO4 109.470 3.000
SLT C1 O1 C4A 111.800 3.000
SLT O1 C4A H4A 109.470 3.000
SLT O1 C4A C3A 109.470 3.000
SLT O1 C4A C5A 109.470 3.000
SLT H4A C4A C3A 108.340 3.000
SLT H4A C4A C5A 108.340 3.000
SLT C3A C4A C5A 111.000 3.000
SLT C4A C3A H3A 108.340 3.000
SLT C4A C3A O3A 109.470 3.000
SLT C4A C3A C2A 111.000 3.000
SLT H3A C3A O3A 109.470 3.000
SLT H3A C3A C2A 108.340 3.000
SLT O3A C3A C2A 109.470 3.000
SLT C3A O3A H6 109.470 3.000
SLT C3A C2A H2A 108.340 3.000
SLT C3A C2A O2A 109.470 3.000
SLT C3A C2A C1A 111.000 3.000
SLT H2A C2A O2A 109.470 3.000
SLT H2A C2A C1A 108.340 3.000
SLT O2A C2A C1A 109.470 3.000
SLT C2A O2A H7 109.470 3.000
SLT C2A C1A H1A 108.340 3.000
SLT C2A C1A O1A 109.470 3.000
SLT C2A C1A O5A 109.470 3.000
SLT H1A C1A O1A 109.470 3.000
SLT H1A C1A O5A 109.470 3.000
SLT O1A C1A O5A 109.470 3.000
SLT C1A O1A H8 109.470 3.000
SLT C1A O5A C5A 111.800 3.000
SLT O5A C5A H5A 109.470 3.000
SLT O5A C5A C6A 109.470 3.000
SLT O5A C5A C4A 109.470 3.000
SLT H5A C5A C6A 108.340 3.000
SLT H5A C5A C4A 108.340 3.000
SLT C6A C5A C4A 111.000 3.000
SLT C5A C6A H6A1 109.470 3.000
SLT C5A C6A H6A2 109.470 3.000
SLT C5A C6A O6A 109.470 3.000
SLT H6A1 C6A H6A2 107.900 3.000
SLT H6A1 C6A O6A 109.470 3.000
SLT H6A2 C6A O6A 109.470 3.000
SLT C6A O6A H6A 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
SLT var_1 O19 C19 C9 O9 96.413 20.000 1
SLT var_2 C19 C9 C10 C11 60.000 20.000 1
SLT var_3 C9 C10 C11 C12 60.000 20.000 3
SLT var_4 C10 C11 O11 H18 60.704 20.000 1
SLT var_5 C10 C11 C12 N12 180.000 20.000 3
SLT var_6 C11 C12 C13 O13 60.000 20.000 3
SLT var_7 C11 C12 N12 C17 -90.223 20.000 3
SLT CONST_1 C12 N12 C17 O17 0.000 0.000 0
SLT var_8 N12 C17 C18 H181 -179.955 20.000 1
SLT var_9 C19 C9 O13 C13 -60.000 20.000 1
SLT var_10 C9 O13 C13 C14 180.000 20.000 1
SLT var_11 O13 C13 C14 O14 61.307 20.000 3
SLT var_12 C13 C14 C15 O15 -56.976 20.000 3
SLT var_13 C14 C15 C16 O16 -179.999 20.000 3
SLT var_14 C15 C16 O16 H16 -179.970 20.000 1
SLT var_15 C14 C15 O15 H10 -59.983 20.000 1
SLT var_16 C13 C14 O14 H9 -59.971 20.000 1
SLT var_17 C19 C9 O9 C3 -64.497 20.000 1
SLT var_18 C9 O9 C3 C2 -125.263 20.000 1
SLT var_19 O9 C3 C4 C5 180.000 20.000 3
SLT var_20 O9 C3 C2 C1 180.000 20.000 3
SLT var_21 C3 C2 O2 HO2 179.692 20.000 1
SLT var_22 C3 C2 C1 O1 180.000 20.000 3
SLT var_23 C2 C1 O5 C5 -60.000 20.000 1
SLT var_24 C1 O5 C5 C4 60.000 20.000 1
SLT var_25 O5 C5 C6 O6 59.721 20.000 3
SLT var_26 C5 C6 O6 HO6 179.965 20.000 1
SLT var_27 O5 C5 C4 O4 60.000 20.000 3
SLT var_28 C5 C4 O4 HO4 60.440 20.000 1
SLT var_29 C2 C1 O1 C4A 171.071 20.000 1
SLT var_30 C1 O1 C4A C3A 122.432 20.000 1
SLT var_31 O1 C4A C5A O5A 180.000 20.000 3
SLT var_32 O1 C4A C3A C2A 180.000 20.000 3
SLT var_33 C4A C3A O3A H6 179.969 20.000 1
SLT var_34 C4A C3A C2A C1A -60.000 20.000 3
SLT var_35 C3A C2A O2A H7 179.999 20.000 1
SLT var_36 C3A C2A C1A O5A 60.000 20.000 3
SLT var_37 C2A C1A O1A H8 179.957 20.000 1
SLT var_38 C2A C1A O5A C5A -60.000 20.000 1
SLT var_39 C1A O5A C5A C6A 180.000 20.000 1
SLT var_40 O5A C5A C6A O6A 59.961 20.000 3
SLT var_41 C5A C6A O6A H6A 179.950 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
SLT chir_01 C12 N12 C13 C11 negativ
SLT chir_02 C13 C12 O13 C14 negativ
SLT chir_03 C14 C13 O14 C15 positiv
SLT chir_04 C15 C14 O15 C16 positiv
SLT chir_05 C11 C12 O11 C10 negativ
SLT chir_06 C9 O13 C10 C19 positiv
SLT chir_07 C3 O9 C4 C2 negativ
SLT chir_08 C4 C3 C5 O4 positiv
SLT chir_09 C5 C4 O5 C6 positiv
SLT chir_10 C2 C3 O2 C1 negativ
SLT chir_11 C1 O5 C2 O1 positiv
SLT chir_12 C4A O1 C5A C3A positiv
SLT chir_13 C5A C4A O5A C6A positiv
SLT chir_14 C3A C4A O3A C2A positiv
SLT chir_15 C2A C3A O2A C1A negativ
SLT chir_16 C1A O5A C2A O1A 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
SLT plan-1 C17 0.020
SLT plan-1 O17 0.020
SLT plan-1 C18 0.020
SLT plan-1 N12 0.020
SLT plan-1 H11 0.020
SLT plan-2 N12 0.020
SLT plan-2 C17 0.020
SLT plan-2 C12 0.020
SLT plan-2 H11 0.020
SLT plan-3 C19 0.020
SLT plan-3 C9 0.020
SLT plan-3 O20 0.020
SLT plan-3 O19 0.020
# ------------------------------------------------------
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