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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
DM9 DM9 'N-HYDROXYMETHYL-N-(2-METHOXYETHYL)-D' non-polymer 83 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DM9
#
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
DM9 O13 O O 0.000 0.000 0.000 0.000
DM9 C13 C C 0.000 -0.113 0.486 -1.099
DM9 C14 C CH3 0.000 0.713 -0.040 -2.243
DM9 H143 H H 0.000 0.073 -0.399 -3.007
DM9 H142 H H 0.000 1.319 0.739 -2.630
DM9 H141 H H 0.000 1.331 -0.829 -1.901
DM9 C9 C CT 0.000 -1.081 1.618 -1.326
DM9 C8 C CH2 0.000 -2.426 1.060 -1.804
DM9 H82 H H 0.000 -2.329 0.675 -2.821
DM9 H81 H H 0.000 -3.184 1.845 -1.784
DM9 O9 O OH1 0.000 -0.553 2.513 -2.307
DM9 HO9 H H 0.000 0.295 2.862 -2.000
DM9 C10 C CH2 0.000 -1.311 2.368 -0.016
DM9 H101 H H 0.000 -1.887 3.272 -0.224
DM9 H102 H H 0.000 -0.343 2.644 0.406
DM9 C19 C CR6 0.000 -2.064 1.505 0.967
DM9 C11 C CR6 0.000 -2.017 1.888 2.283
DM9 O11 O OH1 0.000 -1.310 2.993 2.639
DM9 HO11 H H 0.000 -1.886 3.769 2.601
DM9 C18 C CR66 0.000 -2.695 1.142 3.269
DM9 C17 C CR66 0.000 -3.448 -0.043 2.853
DM9 C5 C CR6 0.000 -4.135 -0.808 3.799
DM9 O5 O OH1 0.000 -4.834 -1.908 3.413
DM9 HO5 H H 0.000 -5.742 -1.653 3.199
DM9 C12 C CR6 0.000 -2.660 1.516 4.616
DM9 O12 O OH1 0.000 -1.962 2.616 5.002
DM9 HO12 H H 0.000 -2.540 3.390 4.969
DM9 C15 C CR66 0.000 -3.347 0.751 5.562
DM9 C16 C CR66 0.000 -4.099 -0.435 5.146
DM9 C4 C CR6 0.000 -4.783 -1.186 6.131
DM9 O4 O O2 0.000 -5.491 -2.290 5.779
DM9 C21 C CH3 0.000 -6.056 -2.817 6.981
DM9 H213 H H 0.000 -5.280 -3.067 7.657
DM9 H212 H H 0.000 -6.688 -2.091 7.423
DM9 H211 H H 0.000 -6.620 -3.685 6.757
DM9 C3 C CR16 0.000 -4.727 -0.791 7.434
DM9 H3 H H 0.000 -5.253 -1.369 8.184
DM9 C2 C CR16 0.000 -4.010 0.337 7.826
DM9 H2 H H 0.000 -3.992 0.614 8.873
DM9 C1 C CR16 0.000 -3.332 1.101 6.929
DM9 H1 H H 0.000 -2.783 1.973 7.261
DM9 C20 C CR6 0.000 -2.777 0.378 0.571
DM9 C6 C CR6 0.000 -3.457 -0.387 1.485
DM9 O6 O OH1 0.000 -4.143 -1.482 1.069
DM9 HO6 H H 0.000 -5.061 -1.237 0.889
DM9 C7 C CH1 0.000 -2.838 -0.073 -0.867
DM9 H7 H H 0.000 -2.158 -0.925 -1.008
DM9 O7 O O2 0.000 -4.172 -0.478 -1.177
DM9 "C1'" C CH1 0.000 -4.069 -1.643 -1.998
DM9 "H1'" H H 0.000 -3.325 -2.328 -1.568
DM9 "O5'" O O2 0.000 -3.661 -1.262 -3.311
DM9 "C5'" C CH1 0.000 -4.549 -0.242 -3.760
DM9 "H5'" H H 0.000 -4.594 0.559 -3.008
DM9 "C6'" C CH3 0.000 -4.038 0.332 -5.083
DM9 "H6'3" H H 0.000 -3.990 -0.439 -5.808
DM9 "H6'2" H H 0.000 -4.697 1.090 -5.419
DM9 "H6'1" H H 0.000 -3.071 0.742 -4.941
DM9 "C4'" C CH1 0.000 -5.950 -0.823 -3.967
DM9 "H4'" H H 0.000 -6.626 -0.036 -4.329
DM9 "O4'" O OH1 0.000 -5.892 -1.883 -4.923
DM9 "HO4'" H H 0.000 -5.558 -1.540 -5.763
DM9 "C3'" C CH1 0.000 -6.465 -1.368 -2.630
DM9 "H3'" H H 0.000 -6.616 -0.538 -1.927
DM9 "C2'" C CH2 0.000 -5.429 -2.342 -2.062
DM9 "H2'2" H H 0.000 -5.358 -3.221 -2.707
DM9 "H2'1" H H 0.000 -5.728 -2.653 -1.059
DM9 "N3'" N NT 0.000 -7.737 -2.071 -2.844
DM9 C31 C CH2 0.000 -8.703 -1.065 -3.304
DM9 H311 H H 0.000 -8.431 -0.088 -2.900
DM9 H312 H H 0.000 -9.703 -1.335 -2.957
DM9 O31 O OH1 0.000 -8.692 -1.012 -4.732
DM9 HO31 H H 0.000 -9.328 -0.349 -5.034
DM9 C41 C CH2 0.000 -8.196 -2.523 -1.523
DM9 H411 H H 0.000 -8.332 -1.658 -0.870
DM9 H412 H H 0.000 -7.450 -3.191 -1.088
DM9 C42 C CH2 0.000 -9.525 -3.267 -1.672
DM9 H421 H H 0.000 -10.270 -2.597 -2.106
DM9 H422 H H 0.000 -9.866 -3.601 -0.690
DM9 O42 O O2 0.000 -9.345 -4.398 -2.526
DM9 C43 C CH3 0.000 -10.614 -5.047 -2.625
DM9 H433 H H 0.000 -10.932 -5.350 -1.661
DM9 H432 H H 0.000 -11.323 -4.376 -3.035
DM9 H431 H H 0.000 -10.529 -5.896 -3.251
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
DM9 O13 n/a C13 START
DM9 C13 O13 C9 .
DM9 C14 C13 H141 .
DM9 H143 C14 . .
DM9 H142 C14 . .
DM9 H141 C14 . .
DM9 C9 C13 C10 .
DM9 C8 C9 H81 .
DM9 H82 C8 . .
DM9 H81 C8 . .
DM9 O9 C9 HO9 .
DM9 HO9 O9 . .
DM9 C10 C9 C19 .
DM9 H101 C10 . .
DM9 H102 C10 . .
DM9 C19 C10 C20 .
DM9 C11 C19 C18 .
DM9 O11 C11 HO11 .
DM9 HO11 O11 . .
DM9 C18 C11 C12 .
DM9 C17 C18 C5 .
DM9 C5 C17 O5 .
DM9 O5 C5 HO5 .
DM9 HO5 O5 . .
DM9 C12 C18 C15 .
DM9 O12 C12 HO12 .
DM9 HO12 O12 . .
DM9 C15 C12 C1 .
DM9 C16 C15 C4 .
DM9 C4 C16 C3 .
DM9 O4 C4 C21 .
DM9 C21 O4 H211 .
DM9 H213 C21 . .
DM9 H212 C21 . .
DM9 H211 C21 . .
DM9 C3 C4 C2 .
DM9 H3 C3 . .
DM9 C2 C3 H2 .
DM9 H2 C2 . .
DM9 C1 C15 H1 .
DM9 H1 C1 . .
DM9 C20 C19 C7 .
DM9 C6 C20 O6 .
DM9 O6 C6 HO6 .
DM9 HO6 O6 . .
DM9 C7 C20 O7 .
DM9 H7 C7 . .
DM9 O7 C7 "C1'" .
DM9 "C1'" O7 "O5'" .
DM9 "H1'" "C1'" . .
DM9 "O5'" "C1'" "C5'" .
DM9 "C5'" "O5'" "C4'" .
DM9 "H5'" "C5'" . .
DM9 "C6'" "C5'" "H6'1" .
DM9 "H6'3" "C6'" . .
DM9 "H6'2" "C6'" . .
DM9 "H6'1" "C6'" . .
DM9 "C4'" "C5'" "C3'" .
DM9 "H4'" "C4'" . .
DM9 "O4'" "C4'" "HO4'" .
DM9 "HO4'" "O4'" . .
DM9 "C3'" "C4'" "N3'" .
DM9 "H3'" "C3'" . .
DM9 "C2'" "C3'" "H2'1" .
DM9 "H2'2" "C2'" . .
DM9 "H2'1" "C2'" . .
DM9 "N3'" "C3'" C41 .
DM9 C31 "N3'" O31 .
DM9 H311 C31 . .
DM9 H312 C31 . .
DM9 O31 C31 HO31 .
DM9 HO31 O31 . .
DM9 C41 "N3'" C42 .
DM9 H411 C41 . .
DM9 H412 C41 . .
DM9 C42 C41 O42 .
DM9 H421 C42 . .
DM9 H422 C42 . .
DM9 O42 C42 C43 .
DM9 C43 O42 H431 .
DM9 H433 C43 . .
DM9 H432 C43 . .
DM9 H431 C43 . END
DM9 C1 C2 . ADD
DM9 C5 C16 . ADD
DM9 C6 C17 . ADD
DM9 C7 C8 . ADD
DM9 "C1'" "C2'" . 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
DM9 C1 C2 double 1.390 0.020
DM9 C1 C15 single 1.390 0.020
DM9 H1 C1 single 1.083 0.020
DM9 C2 C3 single 1.390 0.020
DM9 H2 C2 single 1.083 0.020
DM9 C3 C4 double 1.390 0.020
DM9 H3 C3 single 1.083 0.020
DM9 O4 C4 single 1.370 0.020
DM9 C4 C16 single 1.490 0.020
DM9 C21 O4 single 1.426 0.020
DM9 O5 C5 single 1.362 0.020
DM9 C5 C16 double 1.490 0.020
DM9 C5 C17 single 1.490 0.020
DM9 HO5 O5 single 0.967 0.020
DM9 O6 C6 single 1.362 0.020
DM9 C6 C17 double 1.490 0.020
DM9 C6 C20 single 1.487 0.020
DM9 HO6 O6 single 0.967 0.020
DM9 O7 C7 single 1.426 0.020
DM9 C7 C8 single 1.524 0.020
DM9 C7 C20 single 1.480 0.020
DM9 H7 C7 single 1.099 0.020
DM9 "C1'" O7 single 1.426 0.020
DM9 C8 C9 single 1.524 0.020
DM9 H81 C8 single 1.092 0.020
DM9 H82 C8 single 1.092 0.020
DM9 O9 C9 single 1.432 0.020
DM9 C10 C9 single 1.524 0.020
DM9 C9 C13 single 1.507 0.020
DM9 HO9 O9 single 0.967 0.020
DM9 C19 C10 single 1.511 0.020
DM9 H101 C10 single 1.092 0.020
DM9 H102 C10 single 1.092 0.020
DM9 O11 C11 single 1.362 0.020
DM9 C18 C11 double 1.490 0.020
DM9 C11 C19 single 1.487 0.020
DM9 HO11 O11 single 0.967 0.020
DM9 O12 C12 single 1.362 0.020
DM9 C15 C12 double 1.490 0.020
DM9 C12 C18 single 1.490 0.020
DM9 HO12 O12 single 0.967 0.020
DM9 C13 O13 double 1.220 0.020
DM9 C14 C13 single 1.500 0.020
DM9 H141 C14 single 1.059 0.020
DM9 H142 C14 single 1.059 0.020
DM9 H143 C14 single 1.059 0.020
DM9 C16 C15 single 1.490 0.020
DM9 C17 C18 single 1.490 0.020
DM9 C20 C19 double 1.487 0.020
DM9 H211 C21 single 1.059 0.020
DM9 H212 C21 single 1.059 0.020
DM9 H213 C21 single 1.059 0.020
DM9 "C1'" "C2'" single 1.524 0.020
DM9 "O5'" "C1'" single 1.426 0.020
DM9 "H1'" "C1'" single 1.099 0.020
DM9 "C2'" "C3'" single 1.524 0.020
DM9 "H2'1" "C2'" single 1.092 0.020
DM9 "H2'2" "C2'" single 1.092 0.020
DM9 "C3'" "C4'" single 1.524 0.020
DM9 "N3'" "C3'" single 1.469 0.020
DM9 "H3'" "C3'" single 1.099 0.020
DM9 "O4'" "C4'" single 1.432 0.020
DM9 "C4'" "C5'" single 1.524 0.020
DM9 "H4'" "C4'" single 1.099 0.020
DM9 "HO4'" "O4'" single 0.967 0.020
DM9 "C5'" "O5'" single 1.426 0.020
DM9 "C6'" "C5'" single 1.524 0.020
DM9 "H5'" "C5'" single 1.099 0.020
DM9 "H6'1" "C6'" single 1.059 0.020
DM9 "H6'2" "C6'" single 1.059 0.020
DM9 "H6'3" "C6'" single 1.059 0.020
DM9 C31 "N3'" single 1.469 0.020
DM9 C41 "N3'" single 1.469 0.020
DM9 O31 C31 single 1.432 0.020
DM9 H311 C31 single 1.092 0.020
DM9 H312 C31 single 1.092 0.020
DM9 HO31 O31 single 0.967 0.020
DM9 C42 C41 single 1.524 0.020
DM9 H411 C41 single 1.092 0.020
DM9 H412 C41 single 1.092 0.020
DM9 O42 C42 single 1.426 0.020
DM9 H421 C42 single 1.092 0.020
DM9 H422 C42 single 1.092 0.020
DM9 C43 O42 single 1.426 0.020
DM9 H431 C43 single 1.059 0.020
DM9 H432 C43 single 1.059 0.020
DM9 H433 C43 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
DM9 O13 C13 C14 123.000 3.000
DM9 O13 C13 C9 120.500 3.000
DM9 C14 C13 C9 120.000 3.000
DM9 C13 C14 H143 109.470 3.000
DM9 C13 C14 H142 109.470 3.000
DM9 C13 C14 H141 109.470 3.000
DM9 H143 C14 H142 109.470 3.000
DM9 H143 C14 H141 109.470 3.000
DM9 H142 C14 H141 109.470 3.000
DM9 C13 C9 C8 109.470 3.000
DM9 C13 C9 O9 109.470 3.000
DM9 C13 C9 C10 109.470 3.000
DM9 C8 C9 O9 109.470 3.000
DM9 C8 C9 C10 111.000 3.000
DM9 O9 C9 C10 109.470 3.000
DM9 C9 C8 H82 109.470 3.000
DM9 C9 C8 H81 109.470 3.000
DM9 C9 C8 C7 111.000 3.000
DM9 H82 C8 H81 107.900 3.000
DM9 H82 C8 C7 109.470 3.000
DM9 H81 C8 C7 109.470 3.000
DM9 C9 O9 HO9 109.470 3.000
DM9 C9 C10 H101 109.470 3.000
DM9 C9 C10 H102 109.470 3.000
DM9 C9 C10 C19 109.470 3.000
DM9 H101 C10 H102 107.900 3.000
DM9 H101 C10 C19 109.470 3.000
DM9 H102 C10 C19 109.470 3.000
DM9 C10 C19 C11 120.000 3.000
DM9 C10 C19 C20 120.000 3.000
DM9 C11 C19 C20 120.000 3.000
DM9 C19 C11 O11 120.000 3.000
DM9 C19 C11 C18 120.000 3.000
DM9 O11 C11 C18 120.000 3.000
DM9 C11 O11 HO11 109.470 3.000
DM9 C11 C18 C17 120.000 3.000
DM9 C11 C18 C12 120.000 3.000
DM9 C17 C18 C12 120.000 3.000
DM9 C18 C17 C5 120.000 3.000
DM9 C18 C17 C6 120.000 3.000
DM9 C5 C17 C6 120.000 3.000
DM9 C17 C5 O5 120.000 3.000
DM9 C17 C5 C16 120.000 3.000
DM9 O5 C5 C16 120.000 3.000
DM9 C5 O5 HO5 109.470 3.000
DM9 C18 C12 O12 120.000 3.000
DM9 C18 C12 C15 120.000 3.000
DM9 O12 C12 C15 120.000 3.000
DM9 C12 O12 HO12 109.470 3.000
DM9 C12 C15 C16 120.000 3.000
DM9 C12 C15 C1 120.000 3.000
DM9 C16 C15 C1 120.000 3.000
DM9 C15 C16 C4 120.000 3.000
DM9 C15 C16 C5 120.000 3.000
DM9 C4 C16 C5 120.000 3.000
DM9 C16 C4 O4 120.000 3.000
DM9 C16 C4 C3 120.000 3.000
DM9 O4 C4 C3 120.000 3.000
DM9 C4 O4 C21 120.000 3.000
DM9 O4 C21 H213 109.470 3.000
DM9 O4 C21 H212 109.470 3.000
DM9 O4 C21 H211 109.470 3.000
DM9 H213 C21 H212 109.470 3.000
DM9 H213 C21 H211 109.470 3.000
DM9 H212 C21 H211 109.470 3.000
DM9 C4 C3 H3 120.000 3.000
DM9 C4 C3 C2 120.000 3.000
DM9 H3 C3 C2 120.000 3.000
DM9 C3 C2 H2 120.000 3.000
DM9 C3 C2 C1 120.000 3.000
DM9 H2 C2 C1 120.000 3.000
DM9 C15 C1 H1 120.000 3.000
DM9 C15 C1 C2 120.000 3.000
DM9 H1 C1 C2 120.000 3.000
DM9 C19 C20 C6 120.000 3.000
DM9 C19 C20 C7 120.000 3.000
DM9 C6 C20 C7 120.000 3.000
DM9 C20 C6 O6 120.000 3.000
DM9 C20 C6 C17 120.000 3.000
DM9 O6 C6 C17 120.000 3.000
DM9 C6 O6 HO6 109.470 3.000
DM9 C20 C7 H7 109.470 3.000
DM9 C20 C7 O7 109.470 3.000
DM9 C20 C7 C8 109.470 3.000
DM9 H7 C7 O7 109.470 3.000
DM9 H7 C7 C8 108.340 3.000
DM9 O7 C7 C8 109.470 3.000
DM9 C7 O7 "C1'" 111.800 3.000
DM9 O7 "C1'" "H1'" 109.470 3.000
DM9 O7 "C1'" "O5'" 109.470 3.000
DM9 O7 "C1'" "C2'" 109.470 3.000
DM9 "H1'" "C1'" "O5'" 109.470 3.000
DM9 "H1'" "C1'" "C2'" 108.340 3.000
DM9 "O5'" "C1'" "C2'" 109.470 3.000
DM9 "C1'" "O5'" "C5'" 111.800 3.000
DM9 "O5'" "C5'" "H5'" 109.470 3.000
DM9 "O5'" "C5'" "C6'" 109.470 3.000
DM9 "O5'" "C5'" "C4'" 109.470 3.000
DM9 "H5'" "C5'" "C6'" 108.340 3.000
DM9 "H5'" "C5'" "C4'" 108.340 3.000
DM9 "C6'" "C5'" "C4'" 111.000 3.000
DM9 "C5'" "C6'" "H6'3" 109.470 3.000
DM9 "C5'" "C6'" "H6'2" 109.470 3.000
DM9 "C5'" "C6'" "H6'1" 109.470 3.000
DM9 "H6'3" "C6'" "H6'2" 109.470 3.000
DM9 "H6'3" "C6'" "H6'1" 109.470 3.000
DM9 "H6'2" "C6'" "H6'1" 109.470 3.000
DM9 "C5'" "C4'" "H4'" 108.340 3.000
DM9 "C5'" "C4'" "O4'" 109.470 3.000
DM9 "C5'" "C4'" "C3'" 111.000 3.000
DM9 "H4'" "C4'" "O4'" 109.470 3.000
DM9 "H4'" "C4'" "C3'" 108.340 3.000
DM9 "O4'" "C4'" "C3'" 109.470 3.000
DM9 "C4'" "O4'" "HO4'" 109.470 3.000
DM9 "C4'" "C3'" "H3'" 108.340 3.000
DM9 "C4'" "C3'" "C2'" 111.000 3.000
DM9 "C4'" "C3'" "N3'" 109.500 3.000
DM9 "H3'" "C3'" "C2'" 108.340 3.000
DM9 "H3'" "C3'" "N3'" 109.500 3.000
DM9 "C2'" "C3'" "N3'" 109.500 3.000
DM9 "C3'" "C2'" "H2'2" 109.470 3.000
DM9 "C3'" "C2'" "H2'1" 109.470 3.000
DM9 "C3'" "C2'" "C1'" 111.000 3.000
DM9 "H2'2" "C2'" "H2'1" 107.900 3.000
DM9 "H2'2" "C2'" "C1'" 109.470 3.000
DM9 "H2'1" "C2'" "C1'" 109.470 3.000
DM9 "C3'" "N3'" C31 109.470 3.000
DM9 "C3'" "N3'" C41 109.470 3.000
DM9 C31 "N3'" C41 109.470 3.000
DM9 "N3'" C31 H311 109.470 3.000
DM9 "N3'" C31 H312 109.470 3.000
DM9 "N3'" C31 O31 109.500 3.000
DM9 H311 C31 H312 107.900 3.000
DM9 H311 C31 O31 109.470 3.000
DM9 H312 C31 O31 109.470 3.000
DM9 C31 O31 HO31 109.470 3.000
DM9 "N3'" C41 H411 109.470 3.000
DM9 "N3'" C41 H412 109.470 3.000
DM9 "N3'" C41 C42 109.470 3.000
DM9 H411 C41 H412 107.900 3.000
DM9 H411 C41 C42 109.470 3.000
DM9 H412 C41 C42 109.470 3.000
DM9 C41 C42 H421 109.470 3.000
DM9 C41 C42 H422 109.470 3.000
DM9 C41 C42 O42 109.470 3.000
DM9 H421 C42 H422 107.900 3.000
DM9 H421 C42 O42 109.470 3.000
DM9 H422 C42 O42 109.470 3.000
DM9 C42 O42 C43 111.800 3.000
DM9 O42 C43 H433 109.470 3.000
DM9 O42 C43 H432 109.470 3.000
DM9 O42 C43 H431 109.470 3.000
DM9 H433 C43 H432 109.470 3.000
DM9 H433 C43 H431 109.470 3.000
DM9 H432 C43 H431 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
DM9 var_1 O13 C13 C14 H141 0.069 20.000 1
DM9 var_2 O13 C13 C9 C10 25.269 20.000 1
DM9 var_3 C13 C9 C8 C7 60.000 20.000 1
DM9 var_4 C13 C9 O9 HO9 -59.418 20.000 1
DM9 var_5 C13 C9 C10 C19 -60.000 20.000 1
DM9 var_6 C9 C10 C19 C20 -30.000 20.000 2
DM9 CONST_1 C10 C19 C11 C18 180.000 0.000 0
DM9 var_7 C19 C11 O11 HO11 90.020 20.000 1
DM9 CONST_2 C19 C11 C18 C12 180.000 0.000 0
DM9 CONST_3 C11 C18 C17 C5 180.000 0.000 0
DM9 CONST_4 C18 C17 C5 O5 180.000 0.000 0
DM9 CONST_5 C17 C5 C16 C15 0.000 0.000 0
DM9 var_8 C17 C5 O5 HO5 -89.976 20.000 1
DM9 CONST_6 C11 C18 C12 C15 180.000 0.000 0
DM9 var_9 C18 C12 O12 HO12 90.006 20.000 1
DM9 CONST_7 C18 C12 C15 C1 180.000 0.000 0
DM9 CONST_8 C12 C15 C16 C4 180.000 0.000 0
DM9 CONST_9 C15 C16 C4 C3 0.000 0.000 0
DM9 var_10 C16 C4 O4 C21 -179.986 20.000 1
DM9 var_11 C4 O4 C21 H211 -179.981 20.000 1
DM9 CONST_10 C16 C4 C3 C2 0.000 0.000 0
DM9 CONST_11 C4 C3 C2 C1 0.000 0.000 0
DM9 CONST_12 C12 C15 C1 C2 180.000 0.000 0
DM9 CONST_13 C15 C1 C2 C3 0.000 0.000 0
DM9 CONST_14 C10 C19 C20 C7 0.000 0.000 0
DM9 CONST_15 C19 C20 C6 O6 180.000 0.000 0
DM9 CONST_16 C20 C6 C17 C18 0.000 0.000 0
DM9 var_12 C20 C6 O6 HO6 -92.801 20.000 1
DM9 var_13 C19 C20 C7 O7 -150.000 20.000 1
DM9 var_14 C20 C7 C8 C9 60.000 20.000 3
DM9 var_15 C20 C7 O7 "C1'" -140.082 20.000 1
DM9 var_16 C7 O7 "C1'" "O5'" -74.654 20.000 1
DM9 var_17 O7 "C1'" "C2'" "C3'" 60.000 20.000 3
DM9 var_18 O7 "C1'" "O5'" "C5'" -60.000 20.000 1
DM9 var_19 "C1'" "O5'" "C5'" "C4'" -60.000 20.000 1
DM9 var_20 "O5'" "C5'" "C6'" "H6'1" -60.010 20.000 3
DM9 var_21 "O5'" "C5'" "C4'" "C3'" 60.000 20.000 3
DM9 var_22 "C5'" "C4'" "O4'" "HO4'" -59.994 20.000 1
DM9 var_23 "C5'" "C4'" "C3'" "N3'" 180.000 20.000 3
DM9 var_24 "C4'" "C3'" "C2'" "C1'" 60.000 20.000 3
DM9 var_25 "C4'" "C3'" "N3'" C41 -178.012 20.000 1
DM9 var_26 "C3'" "N3'" C31 O31 91.572 20.000 1
DM9 var_27 "N3'" C31 O31 HO31 -179.962 20.000 1
DM9 var_28 "C3'" "N3'" C41 C42 179.980 20.000 1
DM9 var_29 "N3'" C41 C42 O42 60.023 20.000 3
DM9 var_30 C41 C42 O42 C43 -179.983 20.000 1
DM9 var_31 C42 O42 C43 H431 -179.985 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
DM9 chir_01 C7 O7 C8 C20 negativ
DM9 chir_02 C9 C8 O9 C10 negativ
DM9 chir_03 "C1'" O7 "C2'" "O5'" negativ
DM9 chir_04 "C3'" "C2'" "C4'" "N3'" negativ
DM9 chir_05 "C4'" "C3'" "O4'" "C5'" positiv
DM9 chir_06 "C5'" "C4'" "O5'" "C6'" negativ
DM9 chir_07 "N3'" "C3'" C31 C41 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
DM9 plan-1 C1 0.020
DM9 plan-1 C2 0.020
DM9 plan-1 C15 0.020
DM9 plan-1 H1 0.020
DM9 plan-1 C3 0.020
DM9 plan-1 C4 0.020
DM9 plan-1 H2 0.020
DM9 plan-1 H3 0.020
DM9 plan-1 O4 0.020
DM9 plan-1 C16 0.020
DM9 plan-1 C5 0.020
DM9 plan-1 O5 0.020
DM9 plan-1 C17 0.020
DM9 plan-1 C12 0.020
DM9 plan-1 O12 0.020
DM9 plan-1 C18 0.020
DM9 plan-1 C6 0.020
DM9 plan-1 C11 0.020
DM9 plan-1 C19 0.020
DM9 plan-1 C20 0.020
DM9 plan-1 O6 0.020
DM9 plan-1 O11 0.020
DM9 plan-1 C10 0.020
DM9 plan-1 C7 0.020
DM9 plan-2 C13 0.020
DM9 plan-2 C9 0.020
DM9 plan-2 O13 0.020
DM9 plan-2 C14 0.020
# ------------------------------------------------------
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