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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
CTT CTT 'beta-D-glucopyranosyl-(1->4)-beta-D-' non-polymer 87 45 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_CTT
#
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
CTT O6E O OH1 0.000 0.000 0.000 0.000
CTT HO6E H H 0.000 0.551 -0.783 -0.135
CTT C6E C CH2 0.000 0.470 0.721 1.140
CTT H6E H H 0.000 1.505 1.027 0.974
CTT H6EA H H 0.000 0.418 0.080 2.022
CTT C5E C CH1 0.000 -0.402 1.960 1.355
CTT H5E H H 0.000 -0.419 2.560 0.434
CTT C4E C CH1 0.000 0.175 2.798 2.499
CTT H4E H H 0.000 0.232 2.187 3.410
CTT O4E O OH1 0.000 1.483 3.253 2.145
CTT HO4E H H 0.000 1.844 3.786 2.866
CTT C3E C CH1 0.000 -0.735 4.004 2.748
CTT H3E H H 0.000 -0.752 4.643 1.854
CTT O3E O OH1 0.000 -0.245 4.752 3.861
CTT HO3E H H 0.000 -0.825 5.509 4.020
CTT C2E C CH1 0.000 -2.152 3.507 3.048
CTT H2E H H 0.000 -2.144 2.910 3.971
CTT O2E O OH1 0.000 -3.027 4.625 3.210
CTT HO2E H H 0.000 -3.921 4.309 3.395
CTT O5E O O2 0.000 -1.732 1.556 1.686
CTT C1E C CH1 0.000 -2.639 2.642 1.883
CTT H1E H H 0.000 -2.687 3.250 0.970
CTT O4D O O2 0.000 -3.939 2.127 2.182
CTT C4D C CH1 0.000 -4.535 1.394 1.109
CTT H4D H H 0.000 -4.178 1.792 0.149
CTT C3D C CH1 0.000 -4.151 -0.085 1.225
CTT H3D H H 0.000 -4.462 -0.470 2.207
CTT O3D O OH1 0.000 -2.737 -0.225 1.083
CTT HO3D H H 0.000 -2.498 -1.159 1.150
CTT C2D C CH1 0.000 -4.858 -0.872 0.118
CTT H2D H H 0.000 -4.508 -0.522 -0.863
CTT O2D O OH1 0.000 -4.567 -2.264 0.260
CTT HO2D H H 0.000 -5.018 -2.760 -0.437
CTT C5D C CH1 0.000 -6.058 1.526 1.184
CTT H5D H H 0.000 -6.410 1.167 2.161
CTT C6D C CH2 0.000 -6.452 2.994 1.008
CTT H6D H H 0.000 -6.179 3.326 0.004
CTT H6DA H H 0.000 -5.925 3.603 1.747
CTT O6D O OH1 0.000 -7.862 3.134 1.192
CTT HO6D H H 0.000 -8.110 4.062 1.081
CTT O5D O O2 0.000 -6.654 0.745 0.146
CTT C1D C CH1 0.000 -6.369 -0.653 0.230
CTT H1D H H 0.000 -6.726 -1.042 1.194
CTT O4C O O2 0.000 -7.031 -1.339 -0.834
CTT C4C C CH1 0.000 -8.457 -1.291 -0.759
CTT H4C H H 0.000 -8.768 -1.231 0.294
CTT C3C C CH1 0.000 -8.969 -0.060 -1.514
CTT H3C H H 0.000 -8.616 -0.093 -2.554
CTT O3C O OH1 0.000 -8.484 1.126 -0.881
CTT HO3C H H 0.000 -8.813 1.901 -1.355
CTT C2C C CH1 0.000 -10.501 -0.061 -1.492
CTT H2C H H 0.000 -10.854 0.023 -0.455
CTT O2C O OH1 0.000 -10.990 1.043 -2.255
CTT HO2C H H 0.000 -11.957 1.038 -2.245
CTT C5C C CH1 0.000 -9.047 -2.552 -1.396
CTT H5C H H 0.000 -8.702 -2.632 -2.436
CTT C6C C CH2 0.000 -8.588 -3.782 -0.611
CTT H6C H H 0.000 -9.004 -3.744 0.398
CTT H6CA H H 0.000 -7.497 -3.790 -0.554
CTT O6C O OH1 0.000 -9.042 -4.966 -1.271
CTT HO6C H H 0.000 -8.752 -5.742 -0.773
CTT O5C O O2 0.000 -10.473 -2.475 -1.372
CTT C1C C CH1 0.000 -11.010 -1.370 -2.101
CTT H1C H H 0.000 -10.691 -1.435 -3.151
CTT O4B O O2 0.000 -12.438 -1.403 -2.034
CTT C4B C CH1 0.000 -13.024 -2.536 -2.678
CTT H4B H H 0.000 -12.387 -2.853 -3.516
CTT C3B C CH1 0.000 -13.158 -3.684 -1.674
CTT H3B H H 0.000 -13.753 -3.351 -0.811
CTT O3B O OH1 0.000 -11.860 -4.088 -1.233
CTT HO3B H H 0.000 -11.946 -4.818 -0.605
CTT C2B C CH1 0.000 -13.858 -4.864 -2.355
CTT H2B H H 0.000 -13.238 -5.229 -3.186
CTT O2B O OH1 0.000 -14.055 -5.915 -1.407
CTT HO2B H H 0.000 -14.501 -6.657 -1.837
CTT C5B C CH1 0.000 -14.413 -2.163 -3.204
CTT H5B H H 0.000 -15.036 -1.807 -2.372
CTT C6B C CH2 0.000 -14.281 -1.055 -4.252
CTT H6B H H 0.000 -13.735 -1.437 -5.117
CTT H6BA H H 0.000 -13.737 -0.212 -3.823
CTT O6B O OH1 0.000 -15.583 -0.627 -4.659
CTT HO6B H H 0.000 -15.499 0.072 -5.321
CTT O5B O O2 0.000 -15.021 -3.311 -3.798
CTT C1B C CH1 0.000 -15.215 -4.401 -2.893
CTT H1B H H 0.000 -15.849 -4.075 -2.056
CTT O1B O OH1 0.000 -15.849 -5.482 -3.579
CTT HO1B H H 0.000 -16.706 -5.189 -3.919
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
CTT O6E n/a C6E START
CTT HO6E O6E . .
CTT C6E O6E C5E .
CTT H6E C6E . .
CTT H6EA C6E . .
CTT C5E C6E O5E .
CTT H5E C5E . .
CTT C4E C5E C3E .
CTT H4E C4E . .
CTT O4E C4E HO4E .
CTT HO4E O4E . .
CTT C3E C4E C2E .
CTT H3E C3E . .
CTT O3E C3E HO3E .
CTT HO3E O3E . .
CTT C2E C3E O2E .
CTT H2E C2E . .
CTT O2E C2E HO2E .
CTT HO2E O2E . .
CTT O5E C5E C1E .
CTT C1E O5E O4D .
CTT H1E C1E . .
CTT O4D C1E C4D .
CTT C4D O4D C5D .
CTT H4D C4D . .
CTT C3D C4D C2D .
CTT H3D C3D . .
CTT O3D C3D HO3D .
CTT HO3D O3D . .
CTT C2D C3D O2D .
CTT H2D C2D . .
CTT O2D C2D HO2D .
CTT HO2D O2D . .
CTT C5D C4D O5D .
CTT H5D C5D . .
CTT C6D C5D O6D .
CTT H6D C6D . .
CTT H6DA C6D . .
CTT O6D C6D HO6D .
CTT HO6D O6D . .
CTT O5D C5D C1D .
CTT C1D O5D O4C .
CTT H1D C1D . .
CTT O4C C1D C4C .
CTT C4C O4C C5C .
CTT H4C C4C . .
CTT C3C C4C C2C .
CTT H3C C3C . .
CTT O3C C3C HO3C .
CTT HO3C O3C . .
CTT C2C C3C O2C .
CTT H2C C2C . .
CTT O2C C2C HO2C .
CTT HO2C O2C . .
CTT C5C C4C O5C .
CTT H5C C5C . .
CTT C6C C5C O6C .
CTT H6C C6C . .
CTT H6CA C6C . .
CTT O6C C6C HO6C .
CTT HO6C O6C . .
CTT O5C C5C C1C .
CTT C1C O5C O4B .
CTT H1C C1C . .
CTT O4B C1C C4B .
CTT C4B O4B C5B .
CTT H4B C4B . .
CTT C3B C4B C2B .
CTT H3B C3B . .
CTT O3B C3B HO3B .
CTT HO3B O3B . .
CTT C2B C3B O2B .
CTT H2B C2B . .
CTT O2B C2B HO2B .
CTT HO2B O2B . .
CTT C5B C4B O5B .
CTT H5B C5B . .
CTT C6B C5B O6B .
CTT H6B C6B . .
CTT H6BA C6B . .
CTT O6B C6B HO6B .
CTT HO6B O6B . .
CTT O5B C5B C1B .
CTT C1B O5B O1B .
CTT H1B C1B . .
CTT O1B C1B HO1B .
CTT HO1B O1B . END
CTT C1B C2B . ADD
CTT C1C C2C . ADD
CTT C1D C2D . ADD
CTT C1E C2E . 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
CTT O1B C1B single 1.432 0.020
CTT HO1B O1B single 0.967 0.020
CTT C1B O5B single 1.426 0.020
CTT C1B C2B single 1.524 0.020
CTT H1B C1B single 1.099 0.020
CTT O2B C2B single 1.432 0.020
CTT C2B C3B single 1.524 0.020
CTT H2B C2B single 1.099 0.020
CTT HO2B O2B single 0.967 0.020
CTT C3B C4B single 1.524 0.020
CTT O3B C3B single 1.432 0.020
CTT H3B C3B single 1.099 0.020
CTT HO3B O3B single 0.967 0.020
CTT O5B C5B single 1.426 0.020
CTT C5B C4B single 1.524 0.020
CTT C6B C5B single 1.524 0.020
CTT H5B C5B single 1.099 0.020
CTT O6B C6B single 1.432 0.020
CTT H6B C6B single 1.092 0.020
CTT H6BA C6B single 1.092 0.020
CTT HO6B O6B single 0.967 0.020
CTT C4B O4B single 1.426 0.020
CTT H4B C4B single 1.099 0.020
CTT O4B C1C single 1.426 0.020
CTT C1C C2C single 1.524 0.020
CTT C1C O5C single 1.426 0.020
CTT H1C C1C single 1.099 0.020
CTT O2C C2C single 1.432 0.020
CTT C2C C3C single 1.524 0.020
CTT H2C C2C single 1.099 0.020
CTT HO2C O2C single 0.967 0.020
CTT O3C C3C single 1.432 0.020
CTT C3C C4C single 1.524 0.020
CTT H3C C3C single 1.099 0.020
CTT HO3C O3C single 0.967 0.020
CTT O5C C5C single 1.426 0.020
CTT C6C C5C single 1.524 0.020
CTT C5C C4C single 1.524 0.020
CTT H5C C5C single 1.099 0.020
CTT O6C C6C single 1.432 0.020
CTT H6C C6C single 1.092 0.020
CTT H6CA C6C single 1.092 0.020
CTT HO6C O6C single 0.967 0.020
CTT C4C O4C single 1.426 0.020
CTT H4C C4C single 1.099 0.020
CTT O4C C1D single 1.426 0.020
CTT C1D O5D single 1.426 0.020
CTT C1D C2D single 1.524 0.020
CTT H1D C1D single 1.099 0.020
CTT O2D C2D single 1.432 0.020
CTT C2D C3D single 1.524 0.020
CTT H2D C2D single 1.099 0.020
CTT HO2D O2D single 0.967 0.020
CTT C3D C4D single 1.524 0.020
CTT O3D C3D single 1.432 0.020
CTT H3D C3D single 1.099 0.020
CTT HO3D O3D single 0.967 0.020
CTT O5D C5D single 1.426 0.020
CTT C6D C5D single 1.524 0.020
CTT C5D C4D single 1.524 0.020
CTT H5D C5D single 1.099 0.020
CTT O6D C6D single 1.432 0.020
CTT H6D C6D single 1.092 0.020
CTT H6DA C6D single 1.092 0.020
CTT HO6D O6D single 0.967 0.020
CTT C4D O4D single 1.426 0.020
CTT H4D C4D single 1.099 0.020
CTT O4D C1E single 1.426 0.020
CTT C1E O5E single 1.426 0.020
CTT C1E C2E single 1.524 0.020
CTT H1E C1E single 1.099 0.020
CTT O2E C2E single 1.432 0.020
CTT C2E C3E single 1.524 0.020
CTT H2E C2E single 1.099 0.020
CTT HO2E O2E single 0.967 0.020
CTT C3E C4E single 1.524 0.020
CTT O3E C3E single 1.432 0.020
CTT H3E C3E single 1.099 0.020
CTT HO3E O3E single 0.967 0.020
CTT C4E C5E single 1.524 0.020
CTT O4E C4E single 1.432 0.020
CTT H4E C4E single 1.099 0.020
CTT HO4E O4E single 0.967 0.020
CTT O5E C5E single 1.426 0.020
CTT C5E C6E single 1.524 0.020
CTT H5E C5E single 1.099 0.020
CTT C6E O6E single 1.432 0.020
CTT H6E C6E single 1.092 0.020
CTT H6EA C6E single 1.092 0.020
CTT HO6E O6E 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
CTT HO6E O6E C6E 109.470 3.000
CTT O6E C6E H6E 109.470 3.000
CTT O6E C6E H6EA 109.470 3.000
CTT O6E C6E C5E 109.470 3.000
CTT H6E C6E H6EA 107.900 3.000
CTT H6E C6E C5E 109.470 3.000
CTT H6EA C6E C5E 109.470 3.000
CTT C6E C5E H5E 108.340 3.000
CTT C6E C5E C4E 111.000 3.000
CTT C6E C5E O5E 109.470 3.000
CTT H5E C5E C4E 108.340 3.000
CTT H5E C5E O5E 109.470 3.000
CTT C4E C5E O5E 109.470 3.000
CTT C5E C4E H4E 108.340 3.000
CTT C5E C4E O4E 109.470 3.000
CTT C5E C4E C3E 111.000 3.000
CTT H4E C4E O4E 109.470 3.000
CTT H4E C4E C3E 108.340 3.000
CTT O4E C4E C3E 109.470 3.000
CTT C4E O4E HO4E 109.470 3.000
CTT C4E C3E H3E 108.340 3.000
CTT C4E C3E O3E 109.470 3.000
CTT C4E C3E C2E 111.000 3.000
CTT H3E C3E O3E 109.470 3.000
CTT H3E C3E C2E 108.340 3.000
CTT O3E C3E C2E 109.470 3.000
CTT C3E O3E HO3E 109.470 3.000
CTT C3E C2E H2E 108.340 3.000
CTT C3E C2E O2E 109.470 3.000
CTT C3E C2E C1E 111.000 3.000
CTT H2E C2E O2E 109.470 3.000
CTT H2E C2E C1E 108.340 3.000
CTT O2E C2E C1E 109.470 3.000
CTT C2E O2E HO2E 109.470 3.000
CTT C5E O5E C1E 111.800 3.000
CTT O5E C1E H1E 109.470 3.000
CTT O5E C1E O4D 109.470 3.000
CTT O5E C1E C2E 109.470 3.000
CTT H1E C1E O4D 109.470 3.000
CTT H1E C1E C2E 108.340 3.000
CTT O4D C1E C2E 109.470 3.000
CTT C1E O4D C4D 111.800 3.000
CTT O4D C4D H4D 109.470 3.000
CTT O4D C4D C3D 109.470 3.000
CTT O4D C4D C5D 109.470 3.000
CTT H4D C4D C3D 108.340 3.000
CTT H4D C4D C5D 108.340 3.000
CTT C3D C4D C5D 111.000 3.000
CTT C4D C3D H3D 108.340 3.000
CTT C4D C3D O3D 109.470 3.000
CTT C4D C3D C2D 111.000 3.000
CTT H3D C3D O3D 109.470 3.000
CTT H3D C3D C2D 108.340 3.000
CTT O3D C3D C2D 109.470 3.000
CTT C3D O3D HO3D 109.470 3.000
CTT C3D C2D H2D 108.340 3.000
CTT C3D C2D O2D 109.470 3.000
CTT C3D C2D C1D 111.000 3.000
CTT H2D C2D O2D 109.470 3.000
CTT H2D C2D C1D 108.340 3.000
CTT O2D C2D C1D 109.470 3.000
CTT C2D O2D HO2D 109.470 3.000
CTT C4D C5D H5D 108.340 3.000
CTT C4D C5D C6D 111.000 3.000
CTT C4D C5D O5D 109.470 3.000
CTT H5D C5D C6D 108.340 3.000
CTT H5D C5D O5D 109.470 3.000
CTT C6D C5D O5D 109.470 3.000
CTT C5D C6D H6D 109.470 3.000
CTT C5D C6D H6DA 109.470 3.000
CTT C5D C6D O6D 109.470 3.000
CTT H6D C6D H6DA 107.900 3.000
CTT H6D C6D O6D 109.470 3.000
CTT H6DA C6D O6D 109.470 3.000
CTT C6D O6D HO6D 109.470 3.000
CTT C5D O5D C1D 111.800 3.000
CTT O5D C1D H1D 109.470 3.000
CTT O5D C1D O4C 109.470 3.000
CTT O5D C1D C2D 109.470 3.000
CTT H1D C1D O4C 109.470 3.000
CTT H1D C1D C2D 108.340 3.000
CTT O4C C1D C2D 109.470 3.000
CTT C1D O4C C4C 111.800 3.000
CTT O4C C4C H4C 109.470 3.000
CTT O4C C4C C3C 109.470 3.000
CTT O4C C4C C5C 109.470 3.000
CTT H4C C4C C3C 108.340 3.000
CTT H4C C4C C5C 108.340 3.000
CTT C3C C4C C5C 111.000 3.000
CTT C4C C3C H3C 108.340 3.000
CTT C4C C3C O3C 109.470 3.000
CTT C4C C3C C2C 111.000 3.000
CTT H3C C3C O3C 109.470 3.000
CTT H3C C3C C2C 108.340 3.000
CTT O3C C3C C2C 109.470 3.000
CTT C3C O3C HO3C 109.470 3.000
CTT C3C C2C H2C 108.340 3.000
CTT C3C C2C O2C 109.470 3.000
CTT C3C C2C C1C 111.000 3.000
CTT H2C C2C O2C 109.470 3.000
CTT H2C C2C C1C 108.340 3.000
CTT O2C C2C C1C 109.470 3.000
CTT C2C O2C HO2C 109.470 3.000
CTT C4C C5C H5C 108.340 3.000
CTT C4C C5C C6C 111.000 3.000
CTT C4C C5C O5C 109.470 3.000
CTT H5C C5C C6C 108.340 3.000
CTT H5C C5C O5C 109.470 3.000
CTT C6C C5C O5C 109.470 3.000
CTT C5C C6C H6C 109.470 3.000
CTT C5C C6C H6CA 109.470 3.000
CTT C5C C6C O6C 109.470 3.000
CTT H6C C6C H6CA 107.900 3.000
CTT H6C C6C O6C 109.470 3.000
CTT H6CA C6C O6C 109.470 3.000
CTT C6C O6C HO6C 109.470 3.000
CTT C5C O5C C1C 111.800 3.000
CTT O5C C1C H1C 109.470 3.000
CTT O5C C1C O4B 109.470 3.000
CTT O5C C1C C2C 109.470 3.000
CTT H1C C1C O4B 109.470 3.000
CTT H1C C1C C2C 108.340 3.000
CTT O4B C1C C2C 109.470 3.000
CTT C1C O4B C4B 111.800 3.000
CTT O4B C4B H4B 109.470 3.000
CTT O4B C4B C3B 109.470 3.000
CTT O4B C4B C5B 109.470 3.000
CTT H4B C4B C3B 108.340 3.000
CTT H4B C4B C5B 108.340 3.000
CTT C3B C4B C5B 111.000 3.000
CTT C4B C3B H3B 108.340 3.000
CTT C4B C3B O3B 109.470 3.000
CTT C4B C3B C2B 111.000 3.000
CTT H3B C3B O3B 109.470 3.000
CTT H3B C3B C2B 108.340 3.000
CTT O3B C3B C2B 109.470 3.000
CTT C3B O3B HO3B 109.470 3.000
CTT C3B C2B H2B 108.340 3.000
CTT C3B C2B O2B 109.470 3.000
CTT C3B C2B C1B 111.000 3.000
CTT H2B C2B O2B 109.470 3.000
CTT H2B C2B C1B 108.340 3.000
CTT O2B C2B C1B 109.470 3.000
CTT C2B O2B HO2B 109.470 3.000
CTT C4B C5B H5B 108.340 3.000
CTT C4B C5B C6B 111.000 3.000
CTT C4B C5B O5B 109.470 3.000
CTT H5B C5B C6B 108.340 3.000
CTT H5B C5B O5B 109.470 3.000
CTT C6B C5B O5B 109.470 3.000
CTT C5B C6B H6B 109.470 3.000
CTT C5B C6B H6BA 109.470 3.000
CTT C5B C6B O6B 109.470 3.000
CTT H6B C6B H6BA 107.900 3.000
CTT H6B C6B O6B 109.470 3.000
CTT H6BA C6B O6B 109.470 3.000
CTT C6B O6B HO6B 109.470 3.000
CTT C5B O5B C1B 111.800 3.000
CTT O5B C1B H1B 109.470 3.000
CTT O5B C1B O1B 109.470 3.000
CTT O5B C1B C2B 109.470 3.000
CTT H1B C1B O1B 109.470 3.000
CTT H1B C1B C2B 108.340 3.000
CTT O1B C1B C2B 109.470 3.000
CTT C1B O1B HO1B 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
CTT var_1 HO6E O6E C6E C5E -179.944 20.000 1
CTT var_2 O6E C6E C5E O5E 64.977 20.000 3
CTT var_3 C6E C5E C4E C3E 180.000 20.000 3
CTT var_4 C5E C4E O4E HO4E 179.728 20.000 1
CTT var_5 C5E C4E C3E C2E 60.000 20.000 3
CTT var_6 C4E C3E O3E HO3E -179.566 20.000 1
CTT var_7 C4E C3E C2E O2E 180.000 20.000 3
CTT var_8 C3E C2E O2E HO2E 179.701 20.000 1
CTT var_9 C6E C5E O5E C1E 180.000 20.000 1
CTT var_10 C5E O5E C1E O4D 180.000 20.000 1
CTT var_11 O5E C1E C2E C3E 60.000 20.000 3
CTT var_12 O5E C1E O4D C4D -64.992 20.000 1
CTT var_13 C1E O4D C4D C5D -150.305 20.000 1
CTT var_14 O4D C4D C3D C2D 180.000 20.000 3
CTT var_15 C4D C3D O3D HO3D -179.580 20.000 1
CTT var_16 C4D C3D C2D O2D 180.000 20.000 3
CTT var_17 C3D C2D O2D HO2D 179.710 20.000 1
CTT var_18 O4D C4D C5D O5D 180.000 20.000 3
CTT var_19 C4D C5D C6D O6D -175.094 20.000 3
CTT var_20 C5D C6D O6D HO6D 179.968 20.000 1
CTT var_21 C4D C5D O5D C1D 60.000 20.000 1
CTT var_22 C5D O5D C1D O4C 180.000 20.000 1
CTT var_23 O5D C1D C2D C3D 60.000 20.000 3
CTT var_24 O5D C1D O4C C4C -64.983 20.000 1
CTT var_25 C1D O4C C4C C5C -150.293 20.000 1
CTT var_26 O4C C4C C3C C2C 180.000 20.000 3
CTT var_27 C4C C3C O3C HO3C -179.610 20.000 1
CTT var_28 C4C C3C C2C O2C 180.000 20.000 3
CTT var_29 C3C C2C O2C HO2C 179.662 20.000 1
CTT var_30 O4C C4C C5C O5C 180.000 20.000 3
CTT var_31 C4C C5C C6C O6C -175.024 20.000 3
CTT var_32 C5C C6C O6C HO6C -179.927 20.000 1
CTT var_33 C4C C5C O5C C1C 60.000 20.000 1
CTT var_34 C5C O5C C1C O4B 180.000 20.000 1
CTT var_35 O5C C1C C2C C3C 60.000 20.000 3
CTT var_36 O5C C1C O4B C4B -64.983 20.000 1
CTT var_37 C1C O4B C4B C5B -150.324 20.000 1
CTT var_38 O4B C4B C3B C2B 180.000 20.000 3
CTT var_39 C4B C3B O3B HO3B -179.523 20.000 1
CTT var_40 C4B C3B C2B O2B 180.000 20.000 3
CTT var_41 C3B C2B O2B HO2B 179.672 20.000 1
CTT var_42 O4B C4B C5B O5B 180.000 20.000 3
CTT var_43 C4B C5B C6B O6B -175.073 20.000 3
CTT var_44 C5B C6B O6B HO6B -179.965 20.000 1
CTT var_45 C4B C5B O5B C1B 60.000 20.000 1
CTT var_46 C5B O5B C1B O1B 180.000 20.000 1
CTT var_47 O5B C1B C2B C3B 60.000 20.000 3
CTT var_48 O5B C1B O1B HO1B -60.004 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
CTT chir_01 C1B O1B C2B O5B negativ
CTT chir_02 C2B C1B O2B C3B positiv
CTT chir_03 C3B C2B O3B C4B negativ
CTT chir_04 C5B O5B C6B C4B positiv
CTT chir_05 C4B C3B C5B O4B negativ
CTT chir_06 C1C O4B C2C O5C negativ
CTT chir_07 C2C C1C O2C C3C positiv
CTT chir_08 C3C C2C O3C C4C negativ
CTT chir_09 C5C O5C C6C C4C positiv
CTT chir_10 C4C C3C C5C O4C negativ
CTT chir_11 C1D O4C C2D O5D negativ
CTT chir_12 C2D C1D O2D C3D positiv
CTT chir_13 C3D C2D O3D C4D negativ
CTT chir_14 C5D O5D C6D C4D positiv
CTT chir_15 C4D C3D C5D O4D negativ
CTT chir_16 C1E O4D C2E O5E negativ
CTT chir_17 C2E C1E O2E C3E positiv
CTT chir_18 C3E C2E O3E C4E negativ
CTT chir_19 C4E C3E O4E C5E positiv
CTT chir_20 C5E C4E O5E C6E positiv
# ------------------------------------------------------
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