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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
DMP DMP '[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA' non-polymer 80 42 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_DMP
#
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
DMP O1 O O 0.000 0.000 0.000 0.000
DMP C1 C C 0.000 -1.203 0.164 -0.058
DMP N7 N N 0.000 -1.886 -0.632 -0.900
DMP C70 C CH2 0.000 -1.164 -1.346 -1.956
DMP H701 H H 0.000 -1.733 -2.229 -2.252
DMP H702 H H 0.000 -0.185 -1.653 -1.583
DMP C71 C CR6 0.000 -0.987 -0.438 -3.146
DMP C76 C CR16 0.000 -1.943 -0.414 -4.144
DMP H76 H H 0.000 -2.817 -1.049 -4.072
DMP C75 C CR16 0.000 -1.784 0.420 -5.234
DMP H75 H H 0.000 -2.536 0.444 -6.013
DMP C74 C CR6 0.000 -0.663 1.225 -5.331
DMP C77 C CH2 0.000 -0.488 2.133 -6.521
DMP H771 H H 0.000 0.080 3.017 -6.223
DMP H772 H H 0.000 -1.468 2.439 -6.892
DMP O77 O OH1 0.000 0.218 1.437 -7.550
DMP HO77 H H 0.000 0.331 2.019 -8.314
DMP C73 C CR16 0.000 0.296 1.197 -4.335
DMP H73 H H 0.000 1.174 1.826 -4.411
DMP C72 C CR16 0.000 0.133 0.365 -3.243
DMP H72 H H 0.000 0.885 0.343 -2.464
DMP C6 C CH1 0.000 -3.335 -0.793 -0.786
DMP H6 H H 0.000 -3.606 -0.885 0.275
DMP C60 C CH2 0.000 -3.756 -2.065 -1.526
DMP H601 H H 0.000 -3.185 -2.913 -1.144
DMP H602 H H 0.000 -3.559 -1.946 -2.593
DMP C61 C CR6 0.000 -5.227 -2.309 -1.308
DMP C66 C CR16 0.000 -5.657 -2.972 -0.175
DMP H66 H H 0.000 -4.937 -3.320 0.555
DMP C65 C CR16 0.000 -7.007 -3.192 0.026
DMP H65 H H 0.000 -7.344 -3.706 0.918
DMP C64 C CR16 0.000 -7.926 -2.756 -0.909
DMP H64 H H 0.000 -8.983 -2.931 -0.752
DMP C63 C CR16 0.000 -7.495 -2.098 -2.045
DMP H63 H H 0.000 -8.214 -1.757 -2.780
DMP C62 C CR16 0.000 -6.146 -1.874 -2.245
DMP H62 H H 0.000 -5.808 -1.358 -3.135
DMP C5 C CH1 0.000 -4.061 0.398 -1.387
DMP H5 H H 0.000 -5.138 0.298 -1.192
DMP O5 O OH1 0.000 -3.841 0.414 -2.799
DMP HO5 H H 0.000 -4.326 1.152 -3.192
DMP C4 C CH1 0.000 -3.568 1.709 -0.794
DMP H4 H H 0.000 -2.723 2.077 -1.394
DMP O4 O OH1 0.000 -4.624 2.670 -0.841
DMP HO4 H H 0.000 -4.918 2.780 -1.755
DMP C3 C CH1 0.000 -3.110 1.542 0.661
DMP H3 H H 0.000 -3.207 2.504 1.184
DMP C30 C CH2 0.000 -3.996 0.503 1.350
DMP H301 H H 0.000 -3.369 -0.203 1.897
DMP H302 H H 0.000 -4.577 -0.034 0.597
DMP C31 C CR6 0.000 -4.931 1.196 2.309
DMP C36 C CR16 0.000 -4.651 1.205 3.662
DMP H36 H H 0.000 -3.762 0.711 4.034
DMP C35 C CR16 0.000 -5.505 1.844 4.541
DMP H35 H H 0.000 -5.282 1.857 5.600
DMP C34 C CR16 0.000 -6.645 2.466 4.066
DMP H34 H H 0.000 -7.316 2.965 4.754
DMP C33 C CR16 0.000 -6.927 2.453 2.713
DMP H33 H H 0.000 -7.820 2.941 2.342
DMP C32 C CR16 0.000 -6.070 1.817 1.834
DMP H32 H H 0.000 -6.291 1.806 0.774
DMP N2 N N 0.000 -1.719 1.102 0.718
DMP C20 C CH2 0.000 -0.837 1.744 1.696
DMP H201 H H 0.000 -1.216 2.741 1.927
DMP H202 H H 0.000 0.169 1.825 1.279
DMP C21 C CR6 0.000 -0.796 0.917 2.955
DMP C26 C CR16 0.000 -1.596 1.255 4.030
DMP H26 H H 0.000 -2.250 2.116 3.968
DMP C25 C CR16 0.000 -1.561 0.495 5.184
DMP H25 H H 0.000 -2.193 0.756 6.023
DMP C24 C CR6 0.000 -0.720 -0.599 5.266
DMP C27 C CH2 0.000 -0.678 -1.425 6.525
DMP H271 H H 0.000 -0.524 -2.474 6.265
DMP H272 H H 0.000 -1.625 -1.319 7.059
DMP O27 O OH1 0.000 0.394 -0.974 7.356
DMP HO27 H H 0.000 0.419 -1.505 8.164
DMP C23 C CR16 0.000 0.079 -0.938 4.190
DMP H23 H H 0.000 0.734 -1.799 4.252
DMP C22 C CR16 0.000 0.042 -0.180 3.034
DMP H22 H H 0.000 0.669 -0.445 2.192
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
DMP O1 n/a C1 START
DMP C1 O1 N7 .
DMP N7 C1 C6 .
DMP C70 N7 C71 .
DMP H701 C70 . .
DMP H702 C70 . .
DMP C71 C70 C76 .
DMP C76 C71 C75 .
DMP H76 C76 . .
DMP C75 C76 C74 .
DMP H75 C75 . .
DMP C74 C75 C73 .
DMP C77 C74 O77 .
DMP H771 C77 . .
DMP H772 C77 . .
DMP O77 C77 HO77 .
DMP HO77 O77 . .
DMP C73 C74 C72 .
DMP H73 C73 . .
DMP C72 C73 H72 .
DMP H72 C72 . .
DMP C6 N7 C5 .
DMP H6 C6 . .
DMP C60 C6 C61 .
DMP H601 C60 . .
DMP H602 C60 . .
DMP C61 C60 C66 .
DMP C66 C61 C65 .
DMP H66 C66 . .
DMP C65 C66 C64 .
DMP H65 C65 . .
DMP C64 C65 C63 .
DMP H64 C64 . .
DMP C63 C64 C62 .
DMP H63 C63 . .
DMP C62 C63 H62 .
DMP H62 C62 . .
DMP C5 C6 C4 .
DMP H5 C5 . .
DMP O5 C5 HO5 .
DMP HO5 O5 . .
DMP C4 C5 C3 .
DMP H4 C4 . .
DMP O4 C4 HO4 .
DMP HO4 O4 . .
DMP C3 C4 N2 .
DMP H3 C3 . .
DMP C30 C3 C31 .
DMP H301 C30 . .
DMP H302 C30 . .
DMP C31 C30 C36 .
DMP C36 C31 C35 .
DMP H36 C36 . .
DMP C35 C36 C34 .
DMP H35 C35 . .
DMP C34 C35 C33 .
DMP H34 C34 . .
DMP C33 C34 C32 .
DMP H33 C33 . .
DMP C32 C33 H32 .
DMP H32 C32 . .
DMP N2 C3 C20 .
DMP C20 N2 C21 .
DMP H201 C20 . .
DMP H202 C20 . .
DMP C21 C20 C26 .
DMP C26 C21 C25 .
DMP H26 C26 . .
DMP C25 C26 C24 .
DMP H25 C25 . .
DMP C24 C25 C23 .
DMP C27 C24 O27 .
DMP H271 C27 . .
DMP H272 C27 . .
DMP O27 C27 HO27 .
DMP HO27 O27 . .
DMP C23 C24 C22 .
DMP H23 C23 . .
DMP C22 C23 H22 .
DMP H22 C22 . END
DMP C1 N2 . ADD
DMP C21 C22 . ADD
DMP C31 C32 . ADD
DMP C61 C62 . ADD
DMP C71 C72 . 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
DMP C1 N2 single 1.330 0.020
DMP N7 C1 single 1.330 0.020
DMP C1 O1 double 1.220 0.020
DMP C3 C4 single 1.524 0.020
DMP C30 C3 single 1.524 0.020
DMP N2 C3 single 1.455 0.020
DMP H3 C3 single 1.099 0.020
DMP C4 C5 single 1.524 0.020
DMP O4 C4 single 1.432 0.020
DMP H4 C4 single 1.099 0.020
DMP C5 C6 single 1.524 0.020
DMP O5 C5 single 1.432 0.020
DMP H5 C5 single 1.099 0.020
DMP C60 C6 single 1.524 0.020
DMP C6 N7 single 1.455 0.020
DMP H6 C6 single 1.099 0.020
DMP C21 C20 single 1.511 0.020
DMP C20 N2 single 1.455 0.020
DMP H201 C20 single 1.092 0.020
DMP H202 C20 single 1.092 0.020
DMP C21 C22 double 1.390 0.020
DMP C26 C21 single 1.390 0.020
DMP C22 C23 single 1.390 0.020
DMP H22 C22 single 1.083 0.020
DMP C23 C24 double 1.390 0.020
DMP H23 C23 single 1.083 0.020
DMP C24 C25 single 1.390 0.020
DMP C27 C24 single 1.511 0.020
DMP C25 C26 double 1.390 0.020
DMP H25 C25 single 1.083 0.020
DMP H26 C26 single 1.083 0.020
DMP O27 C27 single 1.432 0.020
DMP H271 C27 single 1.092 0.020
DMP H272 C27 single 1.092 0.020
DMP C31 C30 single 1.511 0.020
DMP H301 C30 single 1.092 0.020
DMP H302 C30 single 1.092 0.020
DMP C31 C32 double 1.390 0.020
DMP C36 C31 single 1.390 0.020
DMP C32 C33 single 1.390 0.020
DMP H32 C32 single 1.083 0.020
DMP C33 C34 double 1.390 0.020
DMP H33 C33 single 1.083 0.020
DMP C34 C35 single 1.390 0.020
DMP H34 C34 single 1.083 0.020
DMP C35 C36 double 1.390 0.020
DMP H35 C35 single 1.083 0.020
DMP H36 C36 single 1.083 0.020
DMP C61 C60 single 1.511 0.020
DMP H601 C60 single 1.092 0.020
DMP H602 C60 single 1.092 0.020
DMP C61 C62 double 1.390 0.020
DMP C66 C61 single 1.390 0.020
DMP C62 C63 single 1.390 0.020
DMP H62 C62 single 1.083 0.020
DMP C63 C64 double 1.390 0.020
DMP H63 C63 single 1.083 0.020
DMP C64 C65 single 1.390 0.020
DMP H64 C64 single 1.083 0.020
DMP C65 C66 double 1.390 0.020
DMP H65 C65 single 1.083 0.020
DMP H66 C66 single 1.083 0.020
DMP C71 C70 single 1.511 0.020
DMP C70 N7 single 1.455 0.020
DMP H701 C70 single 1.092 0.020
DMP H702 C70 single 1.092 0.020
DMP C71 C72 double 1.390 0.020
DMP C76 C71 single 1.390 0.020
DMP C72 C73 single 1.390 0.020
DMP H72 C72 single 1.083 0.020
DMP C73 C74 double 1.390 0.020
DMP H73 C73 single 1.083 0.020
DMP C74 C75 single 1.390 0.020
DMP C77 C74 single 1.511 0.020
DMP C75 C76 double 1.390 0.020
DMP H75 C75 single 1.083 0.020
DMP H76 C76 single 1.083 0.020
DMP O77 C77 single 1.432 0.020
DMP H771 C77 single 1.092 0.020
DMP H772 C77 single 1.092 0.020
DMP HO4 O4 single 0.967 0.020
DMP HO5 O5 single 0.967 0.020
DMP HO27 O27 single 0.967 0.020
DMP HO77 O77 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
DMP O1 C1 N7 123.000 3.000
DMP O1 C1 N2 123.000 3.000
DMP N7 C1 N2 120.000 3.000
DMP C1 N7 C70 127.000 3.000
DMP C1 N7 C6 121.000 3.000
DMP C70 N7 C6 112.000 3.000
DMP N7 C70 H701 109.470 3.000
DMP N7 C70 H702 109.470 3.000
DMP N7 C70 C71 109.470 3.000
DMP H701 C70 H702 107.900 3.000
DMP H701 C70 C71 109.470 3.000
DMP H702 C70 C71 109.470 3.000
DMP C70 C71 C76 120.000 3.000
DMP C70 C71 C72 120.000 3.000
DMP C76 C71 C72 120.000 3.000
DMP C71 C76 H76 120.000 3.000
DMP C71 C76 C75 120.000 3.000
DMP H76 C76 C75 120.000 3.000
DMP C76 C75 H75 120.000 3.000
DMP C76 C75 C74 120.000 3.000
DMP H75 C75 C74 120.000 3.000
DMP C75 C74 C77 120.000 3.000
DMP C75 C74 C73 120.000 3.000
DMP C77 C74 C73 120.000 3.000
DMP C74 C77 H771 109.470 3.000
DMP C74 C77 H772 109.470 3.000
DMP C74 C77 O77 109.500 3.000
DMP H771 C77 H772 107.900 3.000
DMP H771 C77 O77 109.470 3.000
DMP H772 C77 O77 109.470 3.000
DMP C77 O77 HO77 109.470 3.000
DMP C74 C73 H73 120.000 3.000
DMP C74 C73 C72 120.000 3.000
DMP H73 C73 C72 120.000 3.000
DMP C73 C72 H72 120.000 3.000
DMP C73 C72 C71 120.000 3.000
DMP H72 C72 C71 120.000 3.000
DMP N7 C6 H6 109.470 3.000
DMP N7 C6 C60 105.000 3.000
DMP N7 C6 C5 105.000 3.000
DMP H6 C6 C60 108.340 3.000
DMP H6 C6 C5 108.340 3.000
DMP C60 C6 C5 111.000 3.000
DMP C6 C60 H601 109.470 3.000
DMP C6 C60 H602 109.470 3.000
DMP C6 C60 C61 109.470 3.000
DMP H601 C60 H602 107.900 3.000
DMP H601 C60 C61 109.470 3.000
DMP H602 C60 C61 109.470 3.000
DMP C60 C61 C66 120.000 3.000
DMP C60 C61 C62 120.000 3.000
DMP C66 C61 C62 120.000 3.000
DMP C61 C66 H66 120.000 3.000
DMP C61 C66 C65 120.000 3.000
DMP H66 C66 C65 120.000 3.000
DMP C66 C65 H65 120.000 3.000
DMP C66 C65 C64 120.000 3.000
DMP H65 C65 C64 120.000 3.000
DMP C65 C64 H64 120.000 3.000
DMP C65 C64 C63 120.000 3.000
DMP H64 C64 C63 120.000 3.000
DMP C64 C63 H63 120.000 3.000
DMP C64 C63 C62 120.000 3.000
DMP H63 C63 C62 120.000 3.000
DMP C63 C62 H62 120.000 3.000
DMP C63 C62 C61 120.000 3.000
DMP H62 C62 C61 120.000 3.000
DMP C6 C5 H5 108.340 3.000
DMP C6 C5 O5 109.470 3.000
DMP C6 C5 C4 111.000 3.000
DMP H5 C5 O5 109.470 3.000
DMP H5 C5 C4 108.340 3.000
DMP O5 C5 C4 109.470 3.000
DMP C5 O5 HO5 109.470 3.000
DMP C5 C4 H4 108.340 3.000
DMP C5 C4 O4 109.470 3.000
DMP C5 C4 C3 111.000 3.000
DMP H4 C4 O4 109.470 3.000
DMP H4 C4 C3 108.340 3.000
DMP O4 C4 C3 109.470 3.000
DMP C4 O4 HO4 109.470 3.000
DMP C4 C3 H3 108.340 3.000
DMP C4 C3 C30 111.000 3.000
DMP C4 C3 N2 105.000 3.000
DMP H3 C3 C30 108.340 3.000
DMP H3 C3 N2 109.470 3.000
DMP C30 C3 N2 105.000 3.000
DMP C3 C30 H301 109.470 3.000
DMP C3 C30 H302 109.470 3.000
DMP C3 C30 C31 109.470 3.000
DMP H301 C30 H302 107.900 3.000
DMP H301 C30 C31 109.470 3.000
DMP H302 C30 C31 109.470 3.000
DMP C30 C31 C36 120.000 3.000
DMP C30 C31 C32 120.000 3.000
DMP C36 C31 C32 120.000 3.000
DMP C31 C36 H36 120.000 3.000
DMP C31 C36 C35 120.000 3.000
DMP H36 C36 C35 120.000 3.000
DMP C36 C35 H35 120.000 3.000
DMP C36 C35 C34 120.000 3.000
DMP H35 C35 C34 120.000 3.000
DMP C35 C34 H34 120.000 3.000
DMP C35 C34 C33 120.000 3.000
DMP H34 C34 C33 120.000 3.000
DMP C34 C33 H33 120.000 3.000
DMP C34 C33 C32 120.000 3.000
DMP H33 C33 C32 120.000 3.000
DMP C33 C32 H32 120.000 3.000
DMP C33 C32 C31 120.000 3.000
DMP H32 C32 C31 120.000 3.000
DMP C3 N2 C20 112.000 3.000
DMP C3 N2 C1 121.000 3.000
DMP C20 N2 C1 127.000 3.000
DMP N2 C20 H201 109.470 3.000
DMP N2 C20 H202 109.470 3.000
DMP N2 C20 C21 109.470 3.000
DMP H201 C20 H202 107.900 3.000
DMP H201 C20 C21 109.470 3.000
DMP H202 C20 C21 109.470 3.000
DMP C20 C21 C26 120.000 3.000
DMP C20 C21 C22 120.000 3.000
DMP C26 C21 C22 120.000 3.000
DMP C21 C26 H26 120.000 3.000
DMP C21 C26 C25 120.000 3.000
DMP H26 C26 C25 120.000 3.000
DMP C26 C25 H25 120.000 3.000
DMP C26 C25 C24 120.000 3.000
DMP H25 C25 C24 120.000 3.000
DMP C25 C24 C27 120.000 3.000
DMP C25 C24 C23 120.000 3.000
DMP C27 C24 C23 120.000 3.000
DMP C24 C27 H271 109.470 3.000
DMP C24 C27 H272 109.470 3.000
DMP C24 C27 O27 109.500 3.000
DMP H271 C27 H272 107.900 3.000
DMP H271 C27 O27 109.470 3.000
DMP H272 C27 O27 109.470 3.000
DMP C27 O27 HO27 109.470 3.000
DMP C24 C23 H23 120.000 3.000
DMP C24 C23 C22 120.000 3.000
DMP H23 C23 C22 120.000 3.000
DMP C23 C22 H22 120.000 3.000
DMP C23 C22 C21 120.000 3.000
DMP H22 C22 C21 120.000 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
DMP CONST_1 O1 C1 N2 C3 180.000 0.000 0
DMP CONST_2 O1 C1 N7 C6 180.000 0.000 0
DMP var_1 C1 N7 C70 C71 -84.087 20.000 1
DMP var_2 N7 C70 C71 C76 -90.335 20.000 2
DMP CONST_3 C70 C71 C72 C73 180.000 0.000 0
DMP CONST_4 C70 C71 C76 C75 180.000 0.000 0
DMP CONST_5 C71 C76 C75 C74 0.000 0.000 0
DMP CONST_6 C76 C75 C74 C73 0.000 0.000 0
DMP var_3 C75 C74 C77 O77 -89.997 20.000 2
DMP var_4 C74 C77 O77 HO77 -179.984 20.000 1
DMP CONST_7 C75 C74 C73 C72 0.000 0.000 0
DMP CONST_8 C74 C73 C72 C71 0.000 0.000 0
DMP var_5 C1 N7 C6 C5 78.543 20.000 3
DMP var_6 N7 C6 C60 C61 174.841 20.000 3
DMP var_7 C6 C60 C61 C66 -84.489 20.000 2
DMP CONST_9 C60 C61 C62 C63 180.000 0.000 0
DMP CONST_10 C60 C61 C66 C65 180.000 0.000 0
DMP CONST_11 C61 C66 C65 C64 0.000 0.000 0
DMP CONST_12 C66 C65 C64 C63 0.000 0.000 0
DMP CONST_13 C65 C64 C63 C62 0.000 0.000 0
DMP CONST_14 C64 C63 C62 C61 0.000 0.000 0
DMP var_8 N7 C6 C5 C4 -53.535 20.000 3
DMP var_9 C6 C5 O5 HO5 178.060 20.000 1
DMP var_10 C6 C5 C4 C3 -31.036 20.000 3
DMP var_11 C5 C4 O4 HO4 -57.575 20.000 1
DMP var_12 C5 C4 C3 N2 85.537 20.000 3
DMP var_13 C4 C3 C30 C31 -106.867 20.000 3
DMP var_14 C3 C30 C31 C36 -100.748 20.000 2
DMP CONST_15 C30 C31 C32 C33 180.000 0.000 0
DMP CONST_16 C30 C31 C36 C35 180.000 0.000 0
DMP CONST_17 C31 C36 C35 C34 0.000 0.000 0
DMP CONST_18 C36 C35 C34 C33 0.000 0.000 0
DMP CONST_19 C35 C34 C33 C32 0.000 0.000 0
DMP CONST_20 C34 C33 C32 C31 0.000 0.000 0
DMP var_15 C4 C3 N2 C20 136.447 20.000 3
DMP var_16 C3 N2 C20 C21 94.687 20.000 1
DMP var_17 N2 C20 C21 C26 -97.801 20.000 2
DMP CONST_21 C20 C21 C22 C23 180.000 0.000 0
DMP CONST_22 C20 C21 C26 C25 180.000 0.000 0
DMP CONST_23 C21 C26 C25 C24 0.000 0.000 0
DMP CONST_24 C26 C25 C24 C23 0.000 0.000 0
DMP var_18 C25 C24 C27 O27 -95.271 20.000 2
DMP var_19 C24 C27 O27 HO27 179.983 20.000 1
DMP CONST_25 C25 C24 C23 C22 0.000 0.000 0
DMP CONST_26 C24 C23 C22 C21 0.000 0.000 0
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
DMP chir_01 C3 C4 C30 N2 negativ
DMP chir_02 C4 C3 C5 O4 negativ
DMP chir_03 C5 C4 C6 O5 positiv
DMP chir_04 C6 C5 C60 N7 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
DMP plan-1 C1 0.020
DMP plan-1 N2 0.020
DMP plan-1 N7 0.020
DMP plan-1 O1 0.020
DMP plan-2 C21 0.020
DMP plan-2 C20 0.020
DMP plan-2 C22 0.020
DMP plan-2 C26 0.020
DMP plan-2 C23 0.020
DMP plan-2 C24 0.020
DMP plan-2 C25 0.020
DMP plan-2 H22 0.020
DMP plan-2 H23 0.020
DMP plan-2 C27 0.020
DMP plan-2 H25 0.020
DMP plan-2 H26 0.020
DMP plan-3 C31 0.020
DMP plan-3 C30 0.020
DMP plan-3 C32 0.020
DMP plan-3 C36 0.020
DMP plan-3 C33 0.020
DMP plan-3 C34 0.020
DMP plan-3 C35 0.020
DMP plan-3 H32 0.020
DMP plan-3 H33 0.020
DMP plan-3 H34 0.020
DMP plan-3 H35 0.020
DMP plan-3 H36 0.020
DMP plan-4 C61 0.020
DMP plan-4 C60 0.020
DMP plan-4 C62 0.020
DMP plan-4 C66 0.020
DMP plan-4 C63 0.020
DMP plan-4 C64 0.020
DMP plan-4 C65 0.020
DMP plan-4 H62 0.020
DMP plan-4 H63 0.020
DMP plan-4 H64 0.020
DMP plan-4 H65 0.020
DMP plan-4 H66 0.020
DMP plan-5 C71 0.020
DMP plan-5 C70 0.020
DMP plan-5 C72 0.020
DMP plan-5 C76 0.020
DMP plan-5 C73 0.020
DMP plan-5 C74 0.020
DMP plan-5 C75 0.020
DMP plan-5 H72 0.020
DMP plan-5 H73 0.020
DMP plan-5 C77 0.020
DMP plan-5 H75 0.020
DMP plan-5 H76 0.020
DMP plan-6 N2 0.020
DMP plan-6 C1 0.020
DMP plan-6 C3 0.020
DMP plan-6 C20 0.020
DMP plan-7 N7 0.020
DMP plan-7 C1 0.020
DMP plan-7 C6 0.020
DMP plan-7 C70 0.020
# ------------------------------------------------------
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