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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
DMM DMM '3'-DESAMINO-3'-(2-METHOXY-4-MORPHOLI' non-polymer 83 46 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DMM
#
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
DMM O19 O O 0.000 0.000 0.000 0.000
DMM C19 C CR6 0.000 -0.923 0.216 -0.759
DMM C20 C CR66 0.000 -0.666 0.542 -2.179
DMM C5 C CR66 0.000 -1.702 1.070 -2.972
DMM C4 C CR6 0.000 -1.458 1.378 -4.313
DMM O4 O O2 0.000 -2.449 1.889 -5.086
DMM C21 C CH3 0.000 -1.893 2.093 -6.386
DMM H213 H H 0.000 -1.081 2.770 -6.322
DMM H212 H H 0.000 -1.552 1.169 -6.775
DMM H211 H H 0.000 -2.635 2.494 -7.029
DMM C3 C CR16 0.000 -0.194 1.158 -4.851
DMM H3 H H 0.000 -0.002 1.396 -5.890
DMM C2 C CR16 0.000 0.816 0.639 -4.068
DMM H2 H H 0.000 1.796 0.472 -4.499
DMM C1 C CR16 0.000 0.590 0.329 -2.737
DMM H1 H H 0.000 1.390 -0.078 -2.132
DMM C18 C CR66 0.000 -2.316 0.157 -0.279
DMM C7 C CR66 0.000 -3.353 0.686 -1.073
DMM C6 C CR6 0.000 -3.035 1.292 -2.379
DMM O6 O O 0.000 -3.862 1.969 -2.961
DMM C17 C CR6 0.000 -2.623 -0.418 0.951
DMM O17 O OH1 0.000 -1.631 -0.930 1.722
DMM HO17 H H 0.000 -1.500 -1.861 1.499
DMM C16 C CR6 0.000 -3.950 -0.471 1.400
DMM C9 C CR6 0.000 -4.959 0.048 0.628
DMM C8 C CR6 0.000 -4.665 0.629 -0.613
DMM O8 O OH1 0.000 -5.668 1.138 -1.371
DMM HO8 H H 0.000 -5.954 0.475 -2.013
DMM C15 C CH2 0.000 -4.204 -1.115 2.739
DMM H151 H H 0.000 -3.431 -0.789 3.438
DMM H152 H H 0.000 -4.154 -2.200 2.623
DMM C12 C CT 0.000 -5.577 -0.722 3.276
DMM O12 O OH1 0.000 -5.886 -1.505 4.430
DMM HO12 H H 0.000 -5.229 -1.335 5.119
DMM C13 C C 0.000 -5.583 0.740 3.638
DMM C14 C CH2 0.000 -6.575 1.264 4.643
DMM H141 H H 0.000 -6.428 0.755 5.598
DMM H142 H H 0.000 -7.589 1.076 4.284
DMM O14 O OH1 0.000 -6.382 2.669 4.816
DMM HO14 H H 0.000 -7.020 3.004 5.460
DMM O13 O O 0.000 -4.790 1.492 3.124
DMM C11 C CH2 0.000 -6.616 -0.986 2.179
DMM H111 H H 0.000 -7.624 -0.874 2.585
DMM H112 H H 0.000 -6.494 -1.996 1.784
DMM C10 C CH1 0.000 -6.401 0.030 1.060
DMM H10 H H 0.000 -6.683 1.029 1.419
DMM O10 O O2 0.000 -7.223 -0.318 -0.056
DMM "C1'" C CH1 0.000 -8.272 0.649 -0.115
DMM "H1'" H H 0.000 -7.847 1.656 -0.003
DMM "O5'" O O2 0.000 -9.200 0.406 0.940
DMM "C5'" C CH1 0.000 -9.591 -0.964 0.864
DMM "H5'" H H 0.000 -8.694 -1.598 0.844
DMM "C6'" C CH3 0.000 -10.437 -1.320 2.088
DMM "H6'3" H H 0.000 -11.302 -0.708 2.111
DMM "H6'2" H H 0.000 -10.728 -2.338 2.033
DMM "H6'1" H H 0.000 -9.870 -1.163 2.969
DMM "C4'" C CH1 0.000 -10.410 -1.203 -0.407
DMM "H4'" H H 0.000 -10.722 -2.256 -0.452
DMM "O4'" O OH1 0.000 -11.563 -0.360 -0.399
DMM "HO4'" H H 0.000 -12.104 -0.564 0.376
DMM "C3'" C CH1 0.000 -9.544 -0.871 -1.627
DMM "H3'" H H 0.000 -8.715 -1.589 -1.698
DMM "C2'" C CH2 0.000 -8.984 0.546 -1.465
DMM "H2'2" H H 0.000 -9.800 1.270 -1.504
DMM "H2'1" H H 0.000 -8.275 0.755 -2.269
DMM "N3'" N NT 0.000 -10.363 -0.942 -2.846
DMM C53 C CH2 0.000 -10.745 -2.349 -3.016
DMM H531 H H 0.000 -11.416 -2.644 -2.206
DMM H532 H H 0.000 -9.850 -2.974 -2.990
DMM C63 C CH2 0.000 -11.455 -2.527 -4.359
DMM H631 H H 0.000 -12.322 -1.865 -4.400
DMM H632 H H 0.000 -11.785 -3.563 -4.458
DMM O16 O O2 0.000 -10.558 -2.208 -5.422
DMM C23 C CH1 0.000 -10.219 -0.828 -5.288
DMM H23 H H 0.000 -11.136 -0.223 -5.297
DMM C33 C CH2 0.000 -9.477 -0.607 -3.969
DMM H332 H H 0.000 -9.173 0.439 -3.895
DMM H331 H H 0.000 -8.592 -1.246 -3.939
DMM O23 O O2 0.000 -9.380 -0.437 -6.376
DMM C73 C CH3 0.000 -10.124 -0.663 -7.574
DMM H733 H H 0.000 -10.377 -1.689 -7.644
DMM H732 H H 0.000 -11.010 -0.082 -7.555
DMM H731 H H 0.000 -9.539 -0.386 -8.412
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
DMM O19 n/a C19 START
DMM C19 O19 C18 .
DMM C20 C19 C1 .
DMM C5 C20 C4 .
DMM C4 C5 C3 .
DMM O4 C4 C21 .
DMM C21 O4 H211 .
DMM H213 C21 . .
DMM H212 C21 . .
DMM H211 C21 . .
DMM C3 C4 C2 .
DMM H3 C3 . .
DMM C2 C3 H2 .
DMM H2 C2 . .
DMM C1 C20 H1 .
DMM H1 C1 . .
DMM C18 C19 C17 .
DMM C7 C18 C6 .
DMM C6 C7 O6 .
DMM O6 C6 . .
DMM C17 C18 C16 .
DMM O17 C17 HO17 .
DMM HO17 O17 . .
DMM C16 C17 C15 .
DMM C9 C16 C8 .
DMM C8 C9 O8 .
DMM O8 C8 HO8 .
DMM HO8 O8 . .
DMM C15 C16 C12 .
DMM H151 C15 . .
DMM H152 C15 . .
DMM C12 C15 C11 .
DMM O12 C12 HO12 .
DMM HO12 O12 . .
DMM C13 C12 O13 .
DMM C14 C13 O14 .
DMM H141 C14 . .
DMM H142 C14 . .
DMM O14 C14 HO14 .
DMM HO14 O14 . .
DMM O13 C13 . .
DMM C11 C12 C10 .
DMM H111 C11 . .
DMM H112 C11 . .
DMM C10 C11 O10 .
DMM H10 C10 . .
DMM O10 C10 "C1'" .
DMM "C1'" O10 "O5'" .
DMM "H1'" "C1'" . .
DMM "O5'" "C1'" "C5'" .
DMM "C5'" "O5'" "C4'" .
DMM "H5'" "C5'" . .
DMM "C6'" "C5'" "H6'1" .
DMM "H6'3" "C6'" . .
DMM "H6'2" "C6'" . .
DMM "H6'1" "C6'" . .
DMM "C4'" "C5'" "C3'" .
DMM "H4'" "C4'" . .
DMM "O4'" "C4'" "HO4'" .
DMM "HO4'" "O4'" . .
DMM "C3'" "C4'" "N3'" .
DMM "H3'" "C3'" . .
DMM "C2'" "C3'" "H2'1" .
DMM "H2'2" "C2'" . .
DMM "H2'1" "C2'" . .
DMM "N3'" "C3'" C53 .
DMM C53 "N3'" C63 .
DMM H531 C53 . .
DMM H532 C53 . .
DMM C63 C53 O16 .
DMM H631 C63 . .
DMM H632 C63 . .
DMM O16 C63 C23 .
DMM C23 O16 O23 .
DMM H23 C23 . .
DMM C33 C23 H331 .
DMM H332 C33 . .
DMM H331 C33 . .
DMM O23 C23 C73 .
DMM C73 O23 H731 .
DMM H733 C73 . .
DMM H732 C73 . .
DMM H731 C73 . END
DMM C1 C2 . ADD
DMM C5 C6 . ADD
DMM C7 C8 . ADD
DMM C9 C10 . ADD
DMM "C1'" "C2'" . ADD
DMM "N3'" C33 . 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
DMM C1 C2 double 1.390 0.020
DMM C1 C20 single 1.390 0.020
DMM H1 C1 single 1.083 0.020
DMM C2 C3 single 1.390 0.020
DMM H2 C2 single 1.083 0.020
DMM C3 C4 double 1.390 0.020
DMM H3 C3 single 1.083 0.020
DMM O4 C4 single 1.370 0.020
DMM C4 C5 single 1.490 0.020
DMM C21 O4 single 1.426 0.020
DMM C5 C6 single 1.490 0.020
DMM C5 C20 double 1.490 0.020
DMM O6 C6 double 1.250 0.020
DMM C6 C7 single 1.490 0.020
DMM C7 C8 double 1.490 0.020
DMM C7 C18 single 1.490 0.020
DMM O8 C8 single 1.362 0.020
DMM C8 C9 single 1.487 0.020
DMM HO8 O8 single 0.967 0.020
DMM C9 C10 single 1.480 0.020
DMM C9 C16 double 1.487 0.020
DMM O10 C10 single 1.426 0.020
DMM C10 C11 single 1.524 0.020
DMM H10 C10 single 1.099 0.020
DMM "C1'" O10 single 1.426 0.020
DMM C11 C12 single 1.524 0.020
DMM H111 C11 single 1.092 0.020
DMM H112 C11 single 1.092 0.020
DMM O12 C12 single 1.432 0.020
DMM C13 C12 single 1.507 0.020
DMM C12 C15 single 1.524 0.020
DMM HO12 O12 single 0.967 0.020
DMM O13 C13 double 1.220 0.020
DMM C14 C13 single 1.510 0.020
DMM O14 C14 single 1.432 0.020
DMM H141 C14 single 1.092 0.020
DMM H142 C14 single 1.092 0.020
DMM HO14 O14 single 0.967 0.020
DMM C15 C16 single 1.511 0.020
DMM H151 C15 single 1.092 0.020
DMM H152 C15 single 1.092 0.020
DMM C16 C17 single 1.487 0.020
DMM O17 C17 single 1.362 0.020
DMM C17 C18 double 1.490 0.020
DMM HO17 O17 single 0.967 0.020
DMM C18 C19 single 1.490 0.020
DMM C19 O19 double 1.250 0.020
DMM C20 C19 single 1.490 0.020
DMM H211 C21 single 1.059 0.020
DMM H212 C21 single 1.059 0.020
DMM H213 C21 single 1.059 0.020
DMM "C1'" "C2'" single 1.524 0.020
DMM "O5'" "C1'" single 1.426 0.020
DMM "H1'" "C1'" single 1.099 0.020
DMM "C2'" "C3'" single 1.524 0.020
DMM "H2'1" "C2'" single 1.092 0.020
DMM "H2'2" "C2'" single 1.092 0.020
DMM "C3'" "C4'" single 1.524 0.020
DMM "N3'" "C3'" single 1.469 0.020
DMM "H3'" "C3'" single 1.099 0.020
DMM "O4'" "C4'" single 1.432 0.020
DMM "C4'" "C5'" single 1.524 0.020
DMM "H4'" "C4'" single 1.099 0.020
DMM "HO4'" "O4'" single 0.967 0.020
DMM "C5'" "O5'" single 1.426 0.020
DMM "C6'" "C5'" single 1.524 0.020
DMM "H5'" "C5'" single 1.099 0.020
DMM "H6'1" "C6'" single 1.059 0.020
DMM "H6'2" "C6'" single 1.059 0.020
DMM "H6'3" "C6'" single 1.059 0.020
DMM "N3'" C33 single 1.469 0.020
DMM C53 "N3'" single 1.469 0.020
DMM C33 C23 single 1.524 0.020
DMM H331 C33 single 1.092 0.020
DMM H332 C33 single 1.092 0.020
DMM C23 O16 single 1.426 0.020
DMM O23 C23 single 1.426 0.020
DMM H23 C23 single 1.099 0.020
DMM O16 C63 single 1.426 0.020
DMM C63 C53 single 1.524 0.020
DMM H631 C63 single 1.092 0.020
DMM H632 C63 single 1.092 0.020
DMM H531 C53 single 1.092 0.020
DMM H532 C53 single 1.092 0.020
DMM C73 O23 single 1.426 0.020
DMM H731 C73 single 1.059 0.020
DMM H732 C73 single 1.059 0.020
DMM H733 C73 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
DMM O19 C19 C20 120.000 3.000
DMM O19 C19 C18 120.000 3.000
DMM C20 C19 C18 120.000 3.000
DMM C19 C20 C5 120.000 3.000
DMM C19 C20 C1 120.000 3.000
DMM C5 C20 C1 120.000 3.000
DMM C20 C5 C4 120.000 3.000
DMM C20 C5 C6 120.000 3.000
DMM C4 C5 C6 120.000 3.000
DMM C5 C4 O4 120.000 3.000
DMM C5 C4 C3 120.000 3.000
DMM O4 C4 C3 120.000 3.000
DMM C4 O4 C21 120.000 3.000
DMM O4 C21 H213 109.470 3.000
DMM O4 C21 H212 109.470 3.000
DMM O4 C21 H211 109.470 3.000
DMM H213 C21 H212 109.470 3.000
DMM H213 C21 H211 109.470 3.000
DMM H212 C21 H211 109.470 3.000
DMM C4 C3 H3 120.000 3.000
DMM C4 C3 C2 120.000 3.000
DMM H3 C3 C2 120.000 3.000
DMM C3 C2 H2 120.000 3.000
DMM C3 C2 C1 120.000 3.000
DMM H2 C2 C1 120.000 3.000
DMM C20 C1 H1 120.000 3.000
DMM C20 C1 C2 120.000 3.000
DMM H1 C1 C2 120.000 3.000
DMM C19 C18 C7 120.000 3.000
DMM C19 C18 C17 120.000 3.000
DMM C7 C18 C17 120.000 3.000
DMM C18 C7 C6 120.000 3.000
DMM C18 C7 C8 120.000 3.000
DMM C6 C7 C8 120.000 3.000
DMM C7 C6 O6 120.000 3.000
DMM C7 C6 C5 120.000 3.000
DMM O6 C6 C5 120.000 3.000
DMM C18 C17 O17 120.000 3.000
DMM C18 C17 C16 120.000 3.000
DMM O17 C17 C16 120.000 3.000
DMM C17 O17 HO17 109.470 3.000
DMM C17 C16 C9 120.000 3.000
DMM C17 C16 C15 120.000 3.000
DMM C9 C16 C15 120.000 3.000
DMM C16 C9 C8 120.000 3.000
DMM C16 C9 C10 120.000 3.000
DMM C8 C9 C10 120.000 3.000
DMM C9 C8 O8 120.000 3.000
DMM C9 C8 C7 120.000 3.000
DMM O8 C8 C7 120.000 3.000
DMM C8 O8 HO8 109.470 3.000
DMM C16 C15 H151 109.470 3.000
DMM C16 C15 H152 109.470 3.000
DMM C16 C15 C12 109.470 3.000
DMM H151 C15 H152 107.900 3.000
DMM H151 C15 C12 109.470 3.000
DMM H152 C15 C12 109.470 3.000
DMM C15 C12 O12 109.470 3.000
DMM C15 C12 C13 109.470 3.000
DMM C15 C12 C11 111.000 3.000
DMM O12 C12 C13 109.470 3.000
DMM O12 C12 C11 109.470 3.000
DMM C13 C12 C11 109.470 3.000
DMM C12 O12 HO12 109.470 3.000
DMM C12 C13 C14 120.000 3.000
DMM C12 C13 O13 120.500 3.000
DMM C14 C13 O13 120.500 3.000
DMM C13 C14 H141 109.470 3.000
DMM C13 C14 H142 109.470 3.000
DMM C13 C14 O14 109.500 3.000
DMM H141 C14 H142 107.900 3.000
DMM H141 C14 O14 109.470 3.000
DMM H142 C14 O14 109.470 3.000
DMM C14 O14 HO14 109.470 3.000
DMM C12 C11 H111 109.470 3.000
DMM C12 C11 H112 109.470 3.000
DMM C12 C11 C10 111.000 3.000
DMM H111 C11 H112 107.900 3.000
DMM H111 C11 C10 109.470 3.000
DMM H112 C11 C10 109.470 3.000
DMM C11 C10 H10 108.340 3.000
DMM C11 C10 O10 109.470 3.000
DMM C11 C10 C9 109.470 3.000
DMM H10 C10 O10 109.470 3.000
DMM H10 C10 C9 109.470 3.000
DMM O10 C10 C9 109.470 3.000
DMM C10 O10 "C1'" 111.800 3.000
DMM O10 "C1'" "H1'" 109.470 3.000
DMM O10 "C1'" "O5'" 109.470 3.000
DMM O10 "C1'" "C2'" 109.470 3.000
DMM "H1'" "C1'" "O5'" 109.470 3.000
DMM "H1'" "C1'" "C2'" 108.340 3.000
DMM "O5'" "C1'" "C2'" 109.470 3.000
DMM "C1'" "O5'" "C5'" 111.800 3.000
DMM "O5'" "C5'" "H5'" 109.470 3.000
DMM "O5'" "C5'" "C6'" 109.470 3.000
DMM "O5'" "C5'" "C4'" 109.470 3.000
DMM "H5'" "C5'" "C6'" 108.340 3.000
DMM "H5'" "C5'" "C4'" 108.340 3.000
DMM "C6'" "C5'" "C4'" 111.000 3.000
DMM "C5'" "C6'" "H6'3" 109.470 3.000
DMM "C5'" "C6'" "H6'2" 109.470 3.000
DMM "C5'" "C6'" "H6'1" 109.470 3.000
DMM "H6'3" "C6'" "H6'2" 109.470 3.000
DMM "H6'3" "C6'" "H6'1" 109.470 3.000
DMM "H6'2" "C6'" "H6'1" 109.470 3.000
DMM "C5'" "C4'" "H4'" 108.340 3.000
DMM "C5'" "C4'" "O4'" 109.470 3.000
DMM "C5'" "C4'" "C3'" 111.000 3.000
DMM "H4'" "C4'" "O4'" 109.470 3.000
DMM "H4'" "C4'" "C3'" 108.340 3.000
DMM "O4'" "C4'" "C3'" 109.470 3.000
DMM "C4'" "O4'" "HO4'" 109.470 3.000
DMM "C4'" "C3'" "H3'" 108.340 3.000
DMM "C4'" "C3'" "C2'" 111.000 3.000
DMM "C4'" "C3'" "N3'" 109.500 3.000
DMM "H3'" "C3'" "C2'" 108.340 3.000
DMM "H3'" "C3'" "N3'" 109.500 3.000
DMM "C2'" "C3'" "N3'" 109.500 3.000
DMM "C3'" "C2'" "H2'2" 109.470 3.000
DMM "C3'" "C2'" "H2'1" 109.470 3.000
DMM "C3'" "C2'" "C1'" 111.000 3.000
DMM "H2'2" "C2'" "H2'1" 107.900 3.000
DMM "H2'2" "C2'" "C1'" 109.470 3.000
DMM "H2'1" "C2'" "C1'" 109.470 3.000
DMM "C3'" "N3'" C53 109.470 3.000
DMM "C3'" "N3'" C33 109.470 3.000
DMM C53 "N3'" C33 109.470 3.000
DMM "N3'" C53 H531 109.470 3.000
DMM "N3'" C53 H532 109.470 3.000
DMM "N3'" C53 C63 109.470 3.000
DMM H531 C53 H532 107.900 3.000
DMM H531 C53 C63 109.470 3.000
DMM H532 C53 C63 109.470 3.000
DMM C53 C63 H631 109.470 3.000
DMM C53 C63 H632 109.470 3.000
DMM C53 C63 O16 109.470 3.000
DMM H631 C63 H632 107.900 3.000
DMM H631 C63 O16 109.470 3.000
DMM H632 C63 O16 109.470 3.000
DMM C63 O16 C23 111.800 3.000
DMM O16 C23 H23 109.470 3.000
DMM O16 C23 C33 109.470 3.000
DMM O16 C23 O23 109.470 3.000
DMM H23 C23 C33 108.340 3.000
DMM H23 C23 O23 109.470 3.000
DMM C33 C23 O23 109.470 3.000
DMM C23 C33 H332 109.470 3.000
DMM C23 C33 H331 109.470 3.000
DMM C23 C33 "N3'" 109.500 3.000
DMM H332 C33 H331 107.900 3.000
DMM H332 C33 "N3'" 109.470 3.000
DMM H331 C33 "N3'" 109.470 3.000
DMM C23 O23 C73 111.800 3.000
DMM O23 C73 H733 109.470 3.000
DMM O23 C73 H732 109.470 3.000
DMM O23 C73 H731 109.470 3.000
DMM H733 C73 H732 109.470 3.000
DMM H733 C73 H731 109.470 3.000
DMM H732 C73 H731 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
DMM CONST_1 O19 C19 C20 C1 0.000 0.000 0
DMM CONST_2 C19 C20 C5 C4 180.000 0.000 0
DMM CONST_3 C20 C5 C6 C7 0.000 0.000 0
DMM CONST_4 C20 C5 C4 C3 0.000 0.000 0
DMM var_1 C5 C4 O4 C21 -179.973 20.000 1
DMM var_2 C4 O4 C21 H211 -179.986 20.000 1
DMM CONST_5 C5 C4 C3 C2 0.000 0.000 0
DMM CONST_6 C4 C3 C2 C1 0.000 0.000 0
DMM CONST_7 C19 C20 C1 C2 180.000 0.000 0
DMM CONST_8 C20 C1 C2 C3 0.000 0.000 0
DMM CONST_9 O19 C19 C18 C17 0.000 0.000 0
DMM CONST_10 C19 C18 C7 C6 0.000 0.000 0
DMM CONST_11 C18 C7 C8 C9 0.000 0.000 0
DMM CONST_12 C18 C7 C6 O6 180.000 0.000 0
DMM CONST_13 C19 C18 C17 C16 180.000 0.000 0
DMM var_3 C18 C17 O17 HO17 -89.975 20.000 1
DMM CONST_14 C18 C17 C16 C15 180.000 0.000 0
DMM CONST_15 C17 C16 C9 C8 0.000 0.000 0
DMM var_4 C16 C9 C10 C11 -30.000 20.000 1
DMM CONST_16 C16 C9 C8 O8 180.000 0.000 0
DMM var_5 C9 C8 O8 HO8 -95.372 20.000 1
DMM var_6 C17 C16 C15 C12 150.000 20.000 2
DMM var_7 C16 C15 C12 C11 60.000 20.000 1
DMM var_8 C15 C12 O12 HO12 61.205 20.000 1
DMM var_9 C15 C12 C13 O13 23.272 20.000 1
DMM var_10 C12 C13 C14 O14 179.995 20.000 3
DMM var_11 C13 C14 O14 HO14 179.921 20.000 1
DMM var_12 C15 C12 C11 C10 -60.000 20.000 1
DMM var_13 C12 C11 C10 O10 180.000 20.000 3
DMM var_14 C11 C10 O10 "C1'" 108.119 20.000 1
DMM var_15 C10 O10 "C1'" "O5'" -73.347 20.000 1
DMM var_16 O10 "C1'" "C2'" "C3'" 60.000 20.000 3
DMM var_17 O10 "C1'" "O5'" "C5'" -60.000 20.000 1
DMM var_18 "C1'" "O5'" "C5'" "C4'" -60.000 20.000 1
DMM var_19 "O5'" "C5'" "C6'" "H6'1" -59.949 20.000 3
DMM var_20 "O5'" "C5'" "C4'" "C3'" 60.000 20.000 3
DMM var_21 "C5'" "C4'" "O4'" "HO4'" -60.000 20.000 1
DMM var_22 "C5'" "C4'" "C3'" "N3'" 180.000 20.000 3
DMM var_23 "C4'" "C3'" "C2'" "C1'" 60.000 20.000 3
DMM var_24 "C4'" "C3'" "N3'" C53 -66.593 20.000 1
DMM var_25 "C3'" "N3'" C33 C23 180.000 20.000 1
DMM var_26 "C3'" "N3'" C53 C63 180.000 20.000 1
DMM var_27 "N3'" C53 C63 O16 60.000 20.000 3
DMM var_28 C53 C63 O16 C23 -60.000 20.000 1
DMM var_29 C63 O16 C23 O23 180.000 20.000 1
DMM var_30 O16 C23 C33 "N3'" -60.000 20.000 3
DMM var_31 O16 C23 O23 C73 59.918 20.000 1
DMM var_32 C23 O23 C73 H731 -179.981 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
DMM chir_01 C10 C9 O10 C11 negativ
DMM chir_02 C12 C11 O12 C13 positiv
DMM chir_03 "C1'" O10 "C2'" "O5'" negativ
DMM chir_04 "C3'" "C2'" "C4'" "N3'" negativ
DMM chir_05 "C4'" "C3'" "O4'" "C5'" positiv
DMM chir_06 "C5'" "C4'" "O5'" "C6'" negativ
DMM chir_07 "N3'" "C3'" C33 C53 negativ
DMM chir_08 C23 C33 O16 O23 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
DMM plan-1 C1 0.020
DMM plan-1 C2 0.020
DMM plan-1 C20 0.020
DMM plan-1 H1 0.020
DMM plan-1 C3 0.020
DMM plan-1 C4 0.020
DMM plan-1 H2 0.020
DMM plan-1 H3 0.020
DMM plan-1 O4 0.020
DMM plan-1 C5 0.020
DMM plan-1 C6 0.020
DMM plan-1 C19 0.020
DMM plan-1 O6 0.020
DMM plan-1 C7 0.020
DMM plan-1 C8 0.020
DMM plan-1 C18 0.020
DMM plan-1 C9 0.020
DMM plan-1 C16 0.020
DMM plan-1 C17 0.020
DMM plan-1 O8 0.020
DMM plan-1 C10 0.020
DMM plan-1 C15 0.020
DMM plan-1 O17 0.020
DMM plan-1 O19 0.020
DMM plan-2 C13 0.020
DMM plan-2 C12 0.020
DMM plan-2 O13 0.020
DMM plan-2 C14 0.020
# ------------------------------------------------------
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