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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
DM1 DM1 'DAUNOMYCIN ' non-polymer 67 38 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DM1
#
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
DM1 O19 O O 0.000 0.000 0.000 0.000
DM1 C19 C CR6 0.000 -0.843 0.330 -0.812
DM1 C20 C CR66 0.000 -0.446 0.944 -2.098
DM1 C5 C CR66 0.000 -1.390 1.059 -3.135
DM1 C4 C CR6 0.000 -1.014 1.634 -4.351
DM1 O4 O O2 0.000 -1.913 1.745 -5.360
DM1 C21 C CH3 0.000 -1.236 2.371 -6.450
DM1 H213 H H 0.000 -0.888 3.325 -6.149
DM1 H212 H H 0.000 -0.413 1.773 -6.745
DM1 H211 H H 0.000 -1.903 2.480 -7.265
DM1 C3 C CR16 0.000 0.288 2.097 -4.520
DM1 H3 H H 0.000 0.582 2.547 -5.460
DM1 C2 C CR16 0.000 1.207 1.986 -3.497
DM1 H2 H H 0.000 2.216 2.351 -3.640
DM1 C1 C CR16 0.000 0.848 1.412 -2.287
DM1 H1 H H 0.000 1.576 1.329 -1.490
DM1 C18 C CR66 0.000 -2.275 0.124 -0.527
DM1 C7 C CR66 0.000 -3.218 0.236 -1.568
DM1 C6 C CR6 0.000 -2.763 0.557 -2.934
DM1 O6 O O 0.000 -3.512 0.412 -3.882
DM1 C17 C CR6 0.000 -2.711 -0.180 0.761
DM1 O17 O OH1 0.000 -1.810 -0.291 1.768
DM1 HO17 H H 0.000 -1.687 0.572 2.186
DM1 C16 C CR6 0.000 -4.075 -0.371 1.023
DM1 C9 C CR6 0.000 -4.992 -0.258 0.008
DM1 C8 C CR6 0.000 -4.568 0.042 -1.292
DM1 O8 O OH1 0.000 -5.481 0.147 -2.290
DM1 HO8 H H 0.000 -5.822 1.051 -2.319
DM1 C15 C CH2 0.000 -4.466 -0.703 2.439
DM1 H151 H H 0.000 -3.888 -0.076 3.121
DM1 H152 H H 0.000 -4.238 -1.754 2.631
DM1 C12 C CT 0.000 -5.958 -0.455 2.657
DM1 O12 O OH1 0.000 -6.350 -0.973 3.929
DM1 HO12 H H 0.000 -5.847 -0.531 4.626
DM1 C13 C C 0.000 -6.240 1.022 2.600
DM1 C14 C CH3 0.000 -7.453 1.585 3.297
DM1 H143 H H 0.000 -8.329 1.142 2.898
DM1 H142 H H 0.000 -7.394 1.376 4.334
DM1 H141 H H 0.000 -7.491 2.633 3.151
DM1 O13 O O 0.000 -5.497 1.757 1.996
DM1 C11 C CH2 0.000 -6.731 -1.174 1.545
DM1 H111 H H 0.000 -7.801 -1.159 1.765
DM1 H112 H H 0.000 -6.392 -2.209 1.463
DM1 C10 C CH1 0.000 -6.471 -0.446 0.230
DM1 H10 H H 0.000 -6.960 0.538 0.258
DM1 O10 O O2 0.000 -7.013 -1.210 -0.848
DM1 "C1'" C CH1 0.000 -8.128 -0.474 -1.356
DM1 "H1'" H H 0.000 -7.838 0.576 -1.502
DM1 "O5'" O O2 0.000 -9.205 -0.543 -0.423
DM1 "C5'" C CH1 0.000 -9.433 -1.916 -0.124
DM1 "H5'" H H 0.000 -8.487 -2.385 0.184
DM1 "C6'" C CH3 0.000 -10.449 -2.027 1.014
DM1 "H6'3" H H 0.000 -11.362 -1.577 0.719
DM1 "H6'2" H H 0.000 -10.617 -3.048 1.241
DM1 "H6'1" H H 0.000 -10.075 -1.532 1.873
DM1 "C4'" C CH1 0.000 -9.977 -2.632 -1.362
DM1 "H4'" H H 0.000 -10.170 -3.687 -1.122
DM1 "O4'" O OH1 0.000 -11.191 -2.009 -1.783
DM1 "HO4'" H H 0.000 -11.844 -2.066 -1.073
DM1 "C3'" C CH1 0.000 -8.939 -2.544 -2.486
DM1 "H3'" H H 0.000 -8.043 -3.116 -2.206
DM1 "N3'" N NH2 0.000 -9.503 -3.089 -3.728
DM1 "HN'2" H H 0.000 -10.447 -3.459 -3.743
DM1 "HN'1" H H 0.000 -8.953 -3.098 -4.579
DM1 "C2'" C CH2 0.000 -8.565 -1.073 -2.695
DM1 "H2'2" H H 0.000 -9.430 -0.525 -3.075
DM1 "H2'1" H H 0.000 -7.745 -1.000 -3.412
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
DM1 O19 n/a C19 START
DM1 C19 O19 C18 .
DM1 C20 C19 C1 .
DM1 C5 C20 C4 .
DM1 C4 C5 C3 .
DM1 O4 C4 C21 .
DM1 C21 O4 H211 .
DM1 H213 C21 . .
DM1 H212 C21 . .
DM1 H211 C21 . .
DM1 C3 C4 C2 .
DM1 H3 C3 . .
DM1 C2 C3 H2 .
DM1 H2 C2 . .
DM1 C1 C20 H1 .
DM1 H1 C1 . .
DM1 C18 C19 C17 .
DM1 C7 C18 C6 .
DM1 C6 C7 O6 .
DM1 O6 C6 . .
DM1 C17 C18 C16 .
DM1 O17 C17 HO17 .
DM1 HO17 O17 . .
DM1 C16 C17 C15 .
DM1 C9 C16 C8 .
DM1 C8 C9 O8 .
DM1 O8 C8 HO8 .
DM1 HO8 O8 . .
DM1 C15 C16 C12 .
DM1 H151 C15 . .
DM1 H152 C15 . .
DM1 C12 C15 C11 .
DM1 O12 C12 HO12 .
DM1 HO12 O12 . .
DM1 C13 C12 O13 .
DM1 C14 C13 H141 .
DM1 H143 C14 . .
DM1 H142 C14 . .
DM1 H141 C14 . .
DM1 O13 C13 . .
DM1 C11 C12 C10 .
DM1 H111 C11 . .
DM1 H112 C11 . .
DM1 C10 C11 O10 .
DM1 H10 C10 . .
DM1 O10 C10 "C1'" .
DM1 "C1'" O10 "O5'" .
DM1 "H1'" "C1'" . .
DM1 "O5'" "C1'" "C5'" .
DM1 "C5'" "O5'" "C4'" .
DM1 "H5'" "C5'" . .
DM1 "C6'" "C5'" "H6'1" .
DM1 "H6'3" "C6'" . .
DM1 "H6'2" "C6'" . .
DM1 "H6'1" "C6'" . .
DM1 "C4'" "C5'" "C3'" .
DM1 "H4'" "C4'" . .
DM1 "O4'" "C4'" "HO4'" .
DM1 "HO4'" "O4'" . .
DM1 "C3'" "C4'" "C2'" .
DM1 "H3'" "C3'" . .
DM1 "N3'" "C3'" "HN'1" .
DM1 "HN'2" "N3'" . .
DM1 "HN'1" "N3'" . .
DM1 "C2'" "C3'" "H2'1" .
DM1 "H2'2" "C2'" . .
DM1 "H2'1" "C2'" . END
DM1 C1 C2 . ADD
DM1 C5 C6 . ADD
DM1 C7 C8 . ADD
DM1 C9 C10 . ADD
DM1 "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
DM1 C1 C2 double 1.390 0.020
DM1 C1 C20 single 1.390 0.020
DM1 H1 C1 single 1.083 0.020
DM1 C2 C3 single 1.390 0.020
DM1 H2 C2 single 1.083 0.020
DM1 C3 C4 double 1.390 0.020
DM1 H3 C3 single 1.083 0.020
DM1 O4 C4 single 1.370 0.020
DM1 C4 C5 single 1.490 0.020
DM1 C21 O4 single 1.426 0.020
DM1 C5 C6 single 1.490 0.020
DM1 C5 C20 double 1.490 0.020
DM1 O6 C6 double 1.250 0.020
DM1 C6 C7 single 1.490 0.020
DM1 C7 C8 double 1.490 0.020
DM1 C7 C18 single 1.490 0.020
DM1 O8 C8 single 1.362 0.020
DM1 C8 C9 single 1.487 0.020
DM1 HO8 O8 single 0.967 0.020
DM1 C9 C10 single 1.480 0.020
DM1 C9 C16 double 1.487 0.020
DM1 O10 C10 single 1.426 0.020
DM1 C10 C11 single 1.524 0.020
DM1 H10 C10 single 1.099 0.020
DM1 "C1'" O10 single 1.426 0.020
DM1 C11 C12 single 1.524 0.020
DM1 H111 C11 single 1.092 0.020
DM1 H112 C11 single 1.092 0.020
DM1 O12 C12 single 1.432 0.020
DM1 C13 C12 single 1.507 0.020
DM1 C12 C15 single 1.524 0.020
DM1 HO12 O12 single 0.967 0.020
DM1 O13 C13 double 1.220 0.020
DM1 C14 C13 single 1.500 0.020
DM1 H141 C14 single 1.059 0.020
DM1 H142 C14 single 1.059 0.020
DM1 H143 C14 single 1.059 0.020
DM1 C15 C16 single 1.511 0.020
DM1 H151 C15 single 1.092 0.020
DM1 H152 C15 single 1.092 0.020
DM1 C16 C17 single 1.487 0.020
DM1 O17 C17 single 1.362 0.020
DM1 C17 C18 double 1.490 0.020
DM1 HO17 O17 single 0.967 0.020
DM1 C18 C19 single 1.490 0.020
DM1 C19 O19 double 1.250 0.020
DM1 C20 C19 single 1.490 0.020
DM1 H211 C21 single 1.059 0.020
DM1 H212 C21 single 1.059 0.020
DM1 H213 C21 single 1.059 0.020
DM1 "C1'" "C2'" single 1.524 0.020
DM1 "O5'" "C1'" single 1.426 0.020
DM1 "H1'" "C1'" single 1.099 0.020
DM1 "C2'" "C3'" single 1.524 0.020
DM1 "H2'1" "C2'" single 1.092 0.020
DM1 "H2'2" "C2'" single 1.092 0.020
DM1 "N3'" "C3'" single 1.450 0.020
DM1 "C3'" "C4'" single 1.524 0.020
DM1 "H3'" "C3'" single 1.099 0.020
DM1 "HN'1" "N3'" single 1.010 0.020
DM1 "HN'2" "N3'" single 1.010 0.020
DM1 "O4'" "C4'" single 1.432 0.020
DM1 "C4'" "C5'" single 1.524 0.020
DM1 "H4'" "C4'" single 1.099 0.020
DM1 "HO4'" "O4'" single 0.967 0.020
DM1 "C5'" "O5'" single 1.426 0.020
DM1 "C6'" "C5'" single 1.524 0.020
DM1 "H5'" "C5'" single 1.099 0.020
DM1 "H6'1" "C6'" single 1.059 0.020
DM1 "H6'2" "C6'" single 1.059 0.020
DM1 "H6'3" "C6'" 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
DM1 O19 C19 C20 120.000 3.000
DM1 O19 C19 C18 120.000 3.000
DM1 C20 C19 C18 120.000 3.000
DM1 C19 C20 C5 120.000 3.000
DM1 C19 C20 C1 120.000 3.000
DM1 C5 C20 C1 120.000 3.000
DM1 C20 C5 C4 120.000 3.000
DM1 C20 C5 C6 120.000 3.000
DM1 C4 C5 C6 120.000 3.000
DM1 C5 C4 O4 120.000 3.000
DM1 C5 C4 C3 120.000 3.000
DM1 O4 C4 C3 120.000 3.000
DM1 C4 O4 C21 120.000 3.000
DM1 O4 C21 H213 109.470 3.000
DM1 O4 C21 H212 109.470 3.000
DM1 O4 C21 H211 109.470 3.000
DM1 H213 C21 H212 109.470 3.000
DM1 H213 C21 H211 109.470 3.000
DM1 H212 C21 H211 109.470 3.000
DM1 C4 C3 H3 120.000 3.000
DM1 C4 C3 C2 120.000 3.000
DM1 H3 C3 C2 120.000 3.000
DM1 C3 C2 H2 120.000 3.000
DM1 C3 C2 C1 120.000 3.000
DM1 H2 C2 C1 120.000 3.000
DM1 C20 C1 H1 120.000 3.000
DM1 C20 C1 C2 120.000 3.000
DM1 H1 C1 C2 120.000 3.000
DM1 C19 C18 C7 120.000 3.000
DM1 C19 C18 C17 120.000 3.000
DM1 C7 C18 C17 120.000 3.000
DM1 C18 C7 C6 120.000 3.000
DM1 C18 C7 C8 120.000 3.000
DM1 C6 C7 C8 120.000 3.000
DM1 C7 C6 O6 120.000 3.000
DM1 C7 C6 C5 120.000 3.000
DM1 O6 C6 C5 120.000 3.000
DM1 C18 C17 O17 120.000 3.000
DM1 C18 C17 C16 120.000 3.000
DM1 O17 C17 C16 120.000 3.000
DM1 C17 O17 HO17 109.470 3.000
DM1 C17 C16 C9 120.000 3.000
DM1 C17 C16 C15 120.000 3.000
DM1 C9 C16 C15 120.000 3.000
DM1 C16 C9 C8 120.000 3.000
DM1 C16 C9 C10 120.000 3.000
DM1 C8 C9 C10 120.000 3.000
DM1 C9 C8 O8 120.000 3.000
DM1 C9 C8 C7 120.000 3.000
DM1 O8 C8 C7 120.000 3.000
DM1 C8 O8 HO8 109.470 3.000
DM1 C16 C15 H151 109.470 3.000
DM1 C16 C15 H152 109.470 3.000
DM1 C16 C15 C12 109.470 3.000
DM1 H151 C15 H152 107.900 3.000
DM1 H151 C15 C12 109.470 3.000
DM1 H152 C15 C12 109.470 3.000
DM1 C15 C12 O12 109.470 3.000
DM1 C15 C12 C13 109.470 3.000
DM1 C15 C12 C11 111.000 3.000
DM1 O12 C12 C13 109.470 3.000
DM1 O12 C12 C11 109.470 3.000
DM1 C13 C12 C11 109.470 3.000
DM1 C12 O12 HO12 109.470 3.000
DM1 C12 C13 C14 120.000 3.000
DM1 C12 C13 O13 120.500 3.000
DM1 C14 C13 O13 123.000 3.000
DM1 C13 C14 H143 109.470 3.000
DM1 C13 C14 H142 109.470 3.000
DM1 C13 C14 H141 109.470 3.000
DM1 H143 C14 H142 109.470 3.000
DM1 H143 C14 H141 109.470 3.000
DM1 H142 C14 H141 109.470 3.000
DM1 C12 C11 H111 109.470 3.000
DM1 C12 C11 H112 109.470 3.000
DM1 C12 C11 C10 111.000 3.000
DM1 H111 C11 H112 107.900 3.000
DM1 H111 C11 C10 109.470 3.000
DM1 H112 C11 C10 109.470 3.000
DM1 C11 C10 H10 108.340 3.000
DM1 C11 C10 O10 109.470 3.000
DM1 C11 C10 C9 109.470 3.000
DM1 H10 C10 O10 109.470 3.000
DM1 H10 C10 C9 109.470 3.000
DM1 O10 C10 C9 109.470 3.000
DM1 C10 O10 "C1'" 111.800 3.000
DM1 O10 "C1'" "H1'" 109.470 3.000
DM1 O10 "C1'" "O5'" 109.470 3.000
DM1 O10 "C1'" "C2'" 109.470 3.000
DM1 "H1'" "C1'" "O5'" 109.470 3.000
DM1 "H1'" "C1'" "C2'" 108.340 3.000
DM1 "O5'" "C1'" "C2'" 109.470 3.000
DM1 "C1'" "O5'" "C5'" 111.800 3.000
DM1 "O5'" "C5'" "H5'" 109.470 3.000
DM1 "O5'" "C5'" "C6'" 109.470 3.000
DM1 "O5'" "C5'" "C4'" 109.470 3.000
DM1 "H5'" "C5'" "C6'" 108.340 3.000
DM1 "H5'" "C5'" "C4'" 108.340 3.000
DM1 "C6'" "C5'" "C4'" 111.000 3.000
DM1 "C5'" "C6'" "H6'3" 109.470 3.000
DM1 "C5'" "C6'" "H6'2" 109.470 3.000
DM1 "C5'" "C6'" "H6'1" 109.470 3.000
DM1 "H6'3" "C6'" "H6'2" 109.470 3.000
DM1 "H6'3" "C6'" "H6'1" 109.470 3.000
DM1 "H6'2" "C6'" "H6'1" 109.470 3.000
DM1 "C5'" "C4'" "H4'" 108.340 3.000
DM1 "C5'" "C4'" "O4'" 109.470 3.000
DM1 "C5'" "C4'" "C3'" 111.000 3.000
DM1 "H4'" "C4'" "O4'" 109.470 3.000
DM1 "H4'" "C4'" "C3'" 108.340 3.000
DM1 "O4'" "C4'" "C3'" 109.470 3.000
DM1 "C4'" "O4'" "HO4'" 109.470 3.000
DM1 "C4'" "C3'" "H3'" 108.340 3.000
DM1 "C4'" "C3'" "N3'" 109.470 3.000
DM1 "C4'" "C3'" "C2'" 111.000 3.000
DM1 "H3'" "C3'" "N3'" 109.470 3.000
DM1 "H3'" "C3'" "C2'" 108.340 3.000
DM1 "N3'" "C3'" "C2'" 109.470 3.000
DM1 "C3'" "N3'" "HN'2" 120.000 3.000
DM1 "C3'" "N3'" "HN'1" 120.000 3.000
DM1 "HN'2" "N3'" "HN'1" 120.000 3.000
DM1 "C3'" "C2'" "H2'2" 109.470 3.000
DM1 "C3'" "C2'" "H2'1" 109.470 3.000
DM1 "C3'" "C2'" "C1'" 111.000 3.000
DM1 "H2'2" "C2'" "H2'1" 107.900 3.000
DM1 "H2'2" "C2'" "C1'" 109.470 3.000
DM1 "H2'1" "C2'" "C1'" 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
DM1 CONST_1 O19 C19 C20 C1 0.000 0.000 0
DM1 CONST_2 C19 C20 C5 C4 180.000 0.000 0
DM1 CONST_3 C20 C5 C6 C7 0.000 0.000 0
DM1 CONST_4 C20 C5 C4 C3 0.000 0.000 0
DM1 var_1 C5 C4 O4 C21 179.686 20.000 1
DM1 var_2 C4 O4 C21 H211 179.996 20.000 1
DM1 CONST_5 C5 C4 C3 C2 0.000 0.000 0
DM1 CONST_6 C4 C3 C2 C1 0.000 0.000 0
DM1 CONST_7 C19 C20 C1 C2 180.000 0.000 0
DM1 CONST_8 C20 C1 C2 C3 0.000 0.000 0
DM1 CONST_9 O19 C19 C18 C17 0.000 0.000 0
DM1 CONST_10 C19 C18 C7 C6 0.000 0.000 0
DM1 CONST_11 C18 C7 C8 C9 0.000 0.000 0
DM1 CONST_12 C18 C7 C6 O6 180.000 0.000 0
DM1 CONST_13 C19 C18 C17 C16 180.000 0.000 0
DM1 var_3 C18 C17 O17 HO17 90.046 20.000 1
DM1 CONST_14 C18 C17 C16 C15 180.000 0.000 0
DM1 CONST_15 C17 C16 C9 C8 0.000 0.000 0
DM1 var_4 C16 C9 C10 C11 -30.000 20.000 1
DM1 CONST_16 C16 C9 C8 O8 180.000 0.000 0
DM1 var_5 C9 C8 O8 HO8 86.982 20.000 1
DM1 var_6 C17 C16 C15 C12 150.000 20.000 2
DM1 var_7 C16 C15 C12 C11 60.000 20.000 1
DM1 var_8 C15 C12 O12 HO12 60.047 20.000 1
DM1 var_9 C15 C12 C13 O13 24.341 20.000 1
DM1 var_10 C12 C13 C14 H141 -179.975 20.000 1
DM1 var_11 C15 C12 C11 C10 -60.000 20.000 1
DM1 var_12 C12 C11 C10 O10 180.000 20.000 3
DM1 var_13 C11 C10 O10 "C1'" 110.966 20.000 1
DM1 var_14 C10 O10 "C1'" "O5'" -72.147 20.000 1
DM1 var_15 O10 "C1'" "C2'" "C3'" 60.000 20.000 3
DM1 var_16 O10 "C1'" "O5'" "C5'" -60.000 20.000 1
DM1 var_17 "C1'" "O5'" "C5'" "C4'" -60.000 20.000 1
DM1 var_18 "O5'" "C5'" "C6'" "H6'1" -59.768 20.000 3
DM1 var_19 "O5'" "C5'" "C4'" "C3'" 60.000 20.000 3
DM1 var_20 "C5'" "C4'" "O4'" "HO4'" -60.430 20.000 1
DM1 var_21 "C5'" "C4'" "C3'" "C2'" -60.000 20.000 3
DM1 var_22 "C4'" "C3'" "N3'" "HN'1" 179.238 20.000 1
DM1 var_23 "C4'" "C3'" "C2'" "C1'" 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
DM1 chir_01 C10 C9 O10 C11 negativ
DM1 chir_02 C12 C11 O12 C13 positiv
DM1 chir_03 "C1'" O10 "C2'" "O5'" negativ
DM1 chir_04 "C3'" "C2'" "N3'" "C4'" positiv
DM1 chir_05 "C4'" "C3'" "O4'" "C5'" positiv
DM1 chir_06 "C5'" "C4'" "O5'" "C6'" 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
DM1 plan-1 C1 0.020
DM1 plan-1 C2 0.020
DM1 plan-1 C20 0.020
DM1 plan-1 H1 0.020
DM1 plan-1 C3 0.020
DM1 plan-1 C4 0.020
DM1 plan-1 H2 0.020
DM1 plan-1 H3 0.020
DM1 plan-1 O4 0.020
DM1 plan-1 C5 0.020
DM1 plan-1 C6 0.020
DM1 plan-1 C19 0.020
DM1 plan-1 O6 0.020
DM1 plan-1 C7 0.020
DM1 plan-1 C8 0.020
DM1 plan-1 C18 0.020
DM1 plan-1 C9 0.020
DM1 plan-1 C16 0.020
DM1 plan-1 C17 0.020
DM1 plan-1 O8 0.020
DM1 plan-1 C10 0.020
DM1 plan-1 C15 0.020
DM1 plan-1 O17 0.020
DM1 plan-1 O19 0.020
DM1 plan-2 C13 0.020
DM1 plan-2 C12 0.020
DM1 plan-2 O13 0.020
DM1 plan-2 C14 0.020
DM1 plan-3 "N3'" 0.020
DM1 plan-3 "C3'" 0.020
DM1 plan-3 "HN'1" 0.020
DM1 plan-3 "HN'2" 0.020
# ------------------------------------------------------
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