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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
AKT AKT '10-DECARBOXYMETHYLACLACINOMYCIN T (D' non-polymer 70 37 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_AKT
#
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
AKT O5 O O 0.000 0.000 0.000 0.000
AKT C5 C CR6 0.000 -0.633 0.980 0.344
AKT C16 C CR66 0.000 0.054 2.139 0.946
AKT C4 C CR6 0.000 1.443 2.261 0.868
AKT O4 O OH1 0.000 2.177 1.311 0.237
AKT HO4 H H 0.000 2.267 1.543 -0.697
AKT C3 C CR16 0.000 2.071 3.364 1.442
AKT H4 H H 0.000 3.148 3.461 1.383
AKT C2 C CR16 0.000 1.329 4.333 2.086
AKT H3 H H 0.000 1.828 5.186 2.529
AKT C1 C CR16 0.000 -0.051 4.224 2.171
AKT H2 H H 0.000 -0.625 4.989 2.678
AKT C15 C CR66 0.000 -0.697 3.132 1.603
AKT C17 C CR66 0.000 -2.097 1.023 0.166
AKT C6 C CR6 0.000 -2.747 0.092 -0.643
AKT O6 O OH1 0.000 -2.030 -0.870 -1.276
AKT HO6 H H 0.000 -1.754 -0.546 -2.144
AKT C20 C CR6 0.000 -4.136 0.146 -0.805
AKT C19 C CR6 0.000 -4.866 1.122 -0.168
AKT C11 C CR16 0.000 -4.227 2.054 0.648
AKT H11 H H 0.000 -4.809 2.815 1.151
AKT C18 C CR66 0.000 -2.852 2.015 0.820
AKT C12 C CR6 0.000 -2.168 3.003 1.683
AKT O12 O O 0.000 -2.807 3.700 2.447
AKT C7 C CH1 0.000 -4.772 -0.894 -1.692
AKT H7 H H 0.000 -4.149 -1.038 -2.586
AKT C8 C CH2 0.000 -6.171 -0.454 -2.119
AKT H81 H H 0.000 -6.683 -1.276 -2.623
AKT H82 H H 0.000 -6.103 0.401 -2.795
AKT C9 C CT 0.000 -6.955 -0.054 -0.863
AKT O9 O OH1 0.000 -6.846 -1.085 0.121
AKT HO9 H H 0.000 -7.335 -0.826 0.913
AKT C13 C CH2 0.000 -8.426 0.164 -1.222
AKT H131 H H 0.000 -8.867 -0.784 -1.539
AKT H132 H H 0.000 -8.498 0.887 -2.037
AKT C14 C CH3 0.000 -9.176 0.695 0.001
AKT H143 H H 0.000 -9.107 -0.006 0.794
AKT H142 H H 0.000 -8.749 1.615 0.310
AKT H141 H H 0.000 -10.196 0.847 -0.244
AKT C10 C CH2 0.000 -6.361 1.242 -0.318
AKT H102 H H 0.000 -6.809 1.453 0.655
AKT H101 H H 0.000 -6.595 2.055 -1.009
AKT O7 O O2 0.000 -4.864 -2.128 -0.977
AKT "C1'" C CH1 0.000 -4.174 -3.108 -1.756
AKT "H1'" H H 0.000 -3.213 -2.697 -2.093
AKT "O5'" O O2 0.000 -4.967 -3.454 -2.891
AKT "C5'" C CH1 0.000 -6.264 -3.809 -2.421
AKT "H5'" H H 0.000 -6.652 -3.008 -1.777
AKT "C6'" C CH3 0.000 -7.201 -4.002 -3.616
AKT "H6'3" H H 0.000 -7.258 -3.102 -4.171
AKT "H6'2" H H 0.000 -6.830 -4.776 -4.237
AKT "H6'1" H H 0.000 -8.168 -4.262 -3.269
AKT "C4'" C CH1 0.000 -6.185 -5.112 -1.622
AKT "H4'" H H 0.000 -7.190 -5.394 -1.278
AKT "O4'" O OH1 0.000 -5.654 -6.151 -2.446
AKT H1 H H 0.000 -6.232 -6.282 -3.210
AKT "C3'" C CH1 0.000 -5.270 -4.900 -0.411
AKT "H3'" H H 0.000 -5.732 -4.178 0.278
AKT "C2'" C CH2 0.000 -3.925 -4.353 -0.901
AKT "H2'2" H H 0.000 -3.417 -5.111 -1.500
AKT "H2'1" H H 0.000 -3.301 -4.089 -0.045
AKT "N3'" N NT 0.000 -5.060 -6.177 0.283
AKT "C7'" C CH3 0.000 -6.356 -6.566 0.855
AKT "H7'3" H H 0.000 -6.254 -7.487 1.367
AKT "H7'2" H H 0.000 -6.681 -5.820 1.532
AKT "H7'1" H H 0.000 -7.067 -6.672 0.077
AKT "C8'" C CH3 0.000 -4.165 -5.902 1.415
AKT "H8'3" H H 0.000 -3.248 -5.514 1.054
AKT "H8'2" H H 0.000 -4.618 -5.194 2.060
AKT "H8'1" H H 0.000 -3.983 -6.799 1.948
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
AKT O5 n/a C5 START
AKT C5 O5 C17 .
AKT C16 C5 C15 .
AKT C4 C16 C3 .
AKT O4 C4 HO4 .
AKT HO4 O4 . .
AKT C3 C4 C2 .
AKT H4 C3 . .
AKT C2 C3 C1 .
AKT H3 C2 . .
AKT C1 C2 H2 .
AKT H2 C1 . .
AKT C15 C16 . .
AKT C17 C5 C6 .
AKT C6 C17 C20 .
AKT O6 C6 HO6 .
AKT HO6 O6 . .
AKT C20 C6 C7 .
AKT C19 C20 C11 .
AKT C11 C19 C18 .
AKT H11 C11 . .
AKT C18 C11 C12 .
AKT C12 C18 O12 .
AKT O12 C12 . .
AKT C7 C20 O7 .
AKT H7 C7 . .
AKT C8 C7 C9 .
AKT H81 C8 . .
AKT H82 C8 . .
AKT C9 C8 C10 .
AKT O9 C9 HO9 .
AKT HO9 O9 . .
AKT C13 C9 C14 .
AKT H131 C13 . .
AKT H132 C13 . .
AKT C14 C13 H141 .
AKT H143 C14 . .
AKT H142 C14 . .
AKT H141 C14 . .
AKT C10 C9 H101 .
AKT H102 C10 . .
AKT H101 C10 . .
AKT O7 C7 "C1'" .
AKT "C1'" O7 "O5'" .
AKT "H1'" "C1'" . .
AKT "O5'" "C1'" "C5'" .
AKT "C5'" "O5'" "C4'" .
AKT "H5'" "C5'" . .
AKT "C6'" "C5'" "H6'1" .
AKT "H6'3" "C6'" . .
AKT "H6'2" "C6'" . .
AKT "H6'1" "C6'" . .
AKT "C4'" "C5'" "C3'" .
AKT "H4'" "C4'" . .
AKT "O4'" "C4'" H1 .
AKT H1 "O4'" . .
AKT "C3'" "C4'" "N3'" .
AKT "H3'" "C3'" . .
AKT "C2'" "C3'" "H2'1" .
AKT "H2'2" "C2'" . .
AKT "H2'1" "C2'" . .
AKT "N3'" "C3'" "C8'" .
AKT "C7'" "N3'" "H7'1" .
AKT "H7'3" "C7'" . .
AKT "H7'2" "C7'" . .
AKT "H7'1" "C7'" . .
AKT "C8'" "N3'" "H8'1" .
AKT "H8'3" "C8'" . .
AKT "H8'2" "C8'" . .
AKT "H8'1" "C8'" . END
AKT C12 C15 . ADD
AKT C15 C1 . ADD
AKT C18 C17 . ADD
AKT C19 C10 . ADD
AKT "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
AKT O12 C12 double 1.250 0.020
AKT C12 C15 single 1.490 0.020
AKT C12 C18 single 1.490 0.020
AKT C15 C1 double 1.390 0.020
AKT C15 C16 single 1.490 0.020
AKT C1 C2 single 1.390 0.020
AKT H2 C1 single 1.083 0.020
AKT C2 C3 double 1.390 0.020
AKT H3 C2 single 1.083 0.020
AKT C3 C4 single 1.390 0.020
AKT H4 C3 single 1.083 0.020
AKT C4 C16 double 1.490 0.020
AKT C16 C5 single 1.490 0.020
AKT O4 C4 single 1.362 0.020
AKT HO4 O4 single 0.967 0.020
AKT C5 O5 double 1.250 0.020
AKT C17 C5 single 1.490 0.020
AKT C18 C17 double 1.490 0.020
AKT C18 C11 single 1.390 0.020
AKT C6 C17 single 1.490 0.020
AKT O6 C6 single 1.362 0.020
AKT C20 C6 double 1.487 0.020
AKT HO6 O6 single 0.967 0.020
AKT C11 C19 double 1.390 0.020
AKT H11 C11 single 1.083 0.020
AKT C19 C10 single 1.511 0.020
AKT C19 C20 single 1.487 0.020
AKT C10 C9 single 1.524 0.020
AKT H101 C10 single 1.092 0.020
AKT H102 C10 single 1.092 0.020
AKT C7 C20 single 1.480 0.020
AKT C8 C7 single 1.524 0.020
AKT O7 C7 single 1.426 0.020
AKT H7 C7 single 1.099 0.020
AKT C9 C8 single 1.524 0.020
AKT H81 C8 single 1.092 0.020
AKT H82 C8 single 1.092 0.020
AKT O9 C9 single 1.432 0.020
AKT C13 C9 single 1.524 0.020
AKT HO9 O9 single 0.967 0.020
AKT C14 C13 single 1.513 0.020
AKT H131 C13 single 1.092 0.020
AKT H132 C13 single 1.092 0.020
AKT H141 C14 single 1.059 0.020
AKT H142 C14 single 1.059 0.020
AKT H143 C14 single 1.059 0.020
AKT "C1'" O7 single 1.426 0.020
AKT "C1'" "C2'" single 1.524 0.020
AKT "O5'" "C1'" single 1.426 0.020
AKT "H1'" "C1'" single 1.099 0.020
AKT "C2'" "C3'" single 1.524 0.020
AKT "H2'1" "C2'" single 1.092 0.020
AKT "H2'2" "C2'" single 1.092 0.020
AKT "N3'" "C3'" single 1.469 0.020
AKT "C3'" "C4'" single 1.524 0.020
AKT "H3'" "C3'" single 1.099 0.020
AKT "C8'" "N3'" single 1.469 0.020
AKT "C7'" "N3'" single 1.469 0.020
AKT "H8'1" "C8'" single 1.059 0.020
AKT "H8'2" "C8'" single 1.059 0.020
AKT "H8'3" "C8'" single 1.059 0.020
AKT "H7'1" "C7'" single 1.059 0.020
AKT "H7'2" "C7'" single 1.059 0.020
AKT "H7'3" "C7'" single 1.059 0.020
AKT "O4'" "C4'" single 1.432 0.020
AKT "C4'" "C5'" single 1.524 0.020
AKT "H4'" "C4'" single 1.099 0.020
AKT H1 "O4'" single 0.967 0.020
AKT "C5'" "O5'" single 1.426 0.020
AKT "C6'" "C5'" single 1.524 0.020
AKT "H5'" "C5'" single 1.099 0.020
AKT "H6'1" "C6'" single 1.059 0.020
AKT "H6'2" "C6'" single 1.059 0.020
AKT "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
AKT O5 C5 C16 120.000 3.000
AKT O5 C5 C17 120.000 3.000
AKT C16 C5 C17 120.000 3.000
AKT C5 C16 C4 120.000 3.000
AKT C5 C16 C15 120.000 3.000
AKT C4 C16 C15 120.000 3.000
AKT C16 C4 O4 120.000 3.000
AKT C16 C4 C3 120.000 3.000
AKT O4 C4 C3 120.000 3.000
AKT C4 O4 HO4 109.470 3.000
AKT C4 C3 H4 120.000 3.000
AKT C4 C3 C2 120.000 3.000
AKT H4 C3 C2 120.000 3.000
AKT C3 C2 H3 120.000 3.000
AKT C3 C2 C1 120.000 3.000
AKT H3 C2 C1 120.000 3.000
AKT C2 C1 H2 120.000 3.000
AKT C2 C1 C15 120.000 3.000
AKT H2 C1 C15 120.000 3.000
AKT C16 C15 C12 120.000 3.000
AKT C16 C15 C1 120.000 3.000
AKT C12 C15 C1 120.000 3.000
AKT C5 C17 C6 120.000 3.000
AKT C5 C17 C18 120.000 3.000
AKT C6 C17 C18 120.000 3.000
AKT C17 C6 O6 120.000 3.000
AKT C17 C6 C20 120.000 3.000
AKT O6 C6 C20 120.000 3.000
AKT C6 O6 HO6 109.470 3.000
AKT C6 C20 C19 120.000 3.000
AKT C6 C20 C7 120.000 3.000
AKT C19 C20 C7 120.000 3.000
AKT C20 C19 C11 120.000 3.000
AKT C20 C19 C10 120.000 3.000
AKT C11 C19 C10 120.000 3.000
AKT C19 C11 H11 120.000 3.000
AKT C19 C11 C18 120.000 3.000
AKT H11 C11 C18 120.000 3.000
AKT C11 C18 C12 120.000 3.000
AKT C11 C18 C17 120.000 3.000
AKT C12 C18 C17 120.000 3.000
AKT C18 C12 O12 120.000 3.000
AKT C18 C12 C15 120.000 3.000
AKT O12 C12 C15 120.000 3.000
AKT C20 C7 H7 109.470 3.000
AKT C20 C7 C8 109.470 3.000
AKT C20 C7 O7 109.470 3.000
AKT H7 C7 C8 108.340 3.000
AKT H7 C7 O7 109.470 3.000
AKT C8 C7 O7 109.470 3.000
AKT C7 C8 H81 109.470 3.000
AKT C7 C8 H82 109.470 3.000
AKT C7 C8 C9 111.000 3.000
AKT H81 C8 H82 107.900 3.000
AKT H81 C8 C9 109.470 3.000
AKT H82 C8 C9 109.470 3.000
AKT C8 C9 C13 111.000 3.000
AKT C8 C9 O9 109.470 3.000
AKT C8 C9 C10 111.000 3.000
AKT C13 C9 O9 109.470 3.000
AKT C13 C9 C10 111.000 3.000
AKT O9 C9 C10 109.470 3.000
AKT C9 C13 H131 109.470 3.000
AKT C9 C13 H132 109.470 3.000
AKT C9 C13 C14 111.000 3.000
AKT H131 C13 H132 107.900 3.000
AKT H131 C13 C14 109.470 3.000
AKT H132 C13 C14 109.470 3.000
AKT C13 C14 H143 109.470 3.000
AKT C13 C14 H142 109.470 3.000
AKT C13 C14 H141 109.470 3.000
AKT H143 C14 H142 109.470 3.000
AKT H143 C14 H141 109.470 3.000
AKT H142 C14 H141 109.470 3.000
AKT C9 O9 HO9 109.470 3.000
AKT C9 C10 H102 109.470 3.000
AKT C9 C10 H101 109.470 3.000
AKT C9 C10 C19 109.470 3.000
AKT H102 C10 H101 107.900 3.000
AKT H102 C10 C19 109.470 3.000
AKT H101 C10 C19 109.470 3.000
AKT C7 O7 "C1'" 111.800 3.000
AKT O7 "C1'" "H1'" 109.470 3.000
AKT O7 "C1'" "O5'" 109.470 3.000
AKT O7 "C1'" "C2'" 109.470 3.000
AKT "H1'" "C1'" "O5'" 109.470 3.000
AKT "H1'" "C1'" "C2'" 108.340 3.000
AKT "O5'" "C1'" "C2'" 109.470 3.000
AKT "C1'" "O5'" "C5'" 111.800 3.000
AKT "O5'" "C5'" "H5'" 109.470 3.000
AKT "O5'" "C5'" "C6'" 109.470 3.000
AKT "O5'" "C5'" "C4'" 109.470 3.000
AKT "H5'" "C5'" "C6'" 108.340 3.000
AKT "H5'" "C5'" "C4'" 108.340 3.000
AKT "C6'" "C5'" "C4'" 111.000 3.000
AKT "C5'" "C6'" "H6'3" 109.470 3.000
AKT "C5'" "C6'" "H6'2" 109.470 3.000
AKT "C5'" "C6'" "H6'1" 109.470 3.000
AKT "H6'3" "C6'" "H6'2" 109.470 3.000
AKT "H6'3" "C6'" "H6'1" 109.470 3.000
AKT "H6'2" "C6'" "H6'1" 109.470 3.000
AKT "C5'" "C4'" "H4'" 108.340 3.000
AKT "C5'" "C4'" "O4'" 109.470 3.000
AKT "C5'" "C4'" "C3'" 111.000 3.000
AKT "H4'" "C4'" "O4'" 109.470 3.000
AKT "H4'" "C4'" "C3'" 108.340 3.000
AKT "O4'" "C4'" "C3'" 109.470 3.000
AKT "C4'" "O4'" H1 109.470 3.000
AKT "C4'" "C3'" "H3'" 108.340 3.000
AKT "C4'" "C3'" "C2'" 111.000 3.000
AKT "C4'" "C3'" "N3'" 109.500 3.000
AKT "H3'" "C3'" "C2'" 108.340 3.000
AKT "H3'" "C3'" "N3'" 109.500 3.000
AKT "C2'" "C3'" "N3'" 109.500 3.000
AKT "C3'" "C2'" "H2'2" 109.470 3.000
AKT "C3'" "C2'" "H2'1" 109.470 3.000
AKT "C3'" "C2'" "C1'" 111.000 3.000
AKT "H2'2" "C2'" "H2'1" 107.900 3.000
AKT "H2'2" "C2'" "C1'" 109.470 3.000
AKT "H2'1" "C2'" "C1'" 109.470 3.000
AKT "C3'" "N3'" "C7'" 109.470 3.000
AKT "C3'" "N3'" "C8'" 109.470 3.000
AKT "C7'" "N3'" "C8'" 109.470 3.000
AKT "N3'" "C7'" "H7'3" 109.470 3.000
AKT "N3'" "C7'" "H7'2" 109.470 3.000
AKT "N3'" "C7'" "H7'1" 109.470 3.000
AKT "H7'3" "C7'" "H7'2" 109.470 3.000
AKT "H7'3" "C7'" "H7'1" 109.470 3.000
AKT "H7'2" "C7'" "H7'1" 109.470 3.000
AKT "N3'" "C8'" "H8'3" 109.470 3.000
AKT "N3'" "C8'" "H8'2" 109.470 3.000
AKT "N3'" "C8'" "H8'1" 109.470 3.000
AKT "H8'3" "C8'" "H8'2" 109.470 3.000
AKT "H8'3" "C8'" "H8'1" 109.470 3.000
AKT "H8'2" "C8'" "H8'1" 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
AKT CONST_1 O5 C5 C16 C15 180.000 0.000 0
AKT CONST_2 C5 C16 C4 C3 180.000 0.000 0
AKT var_1 C16 C4 O4 HO4 90.035 20.000 1
AKT CONST_3 C16 C4 C3 C2 0.000 0.000 0
AKT CONST_4 C4 C3 C2 C1 0.000 0.000 0
AKT CONST_5 C3 C2 C1 C15 0.000 0.000 0
AKT CONST_6 C5 C16 C15 C12 0.000 0.000 0
AKT CONST_7 C16 C15 C1 C2 0.000 0.000 0
AKT CONST_8 O5 C5 C17 C6 0.000 0.000 0
AKT CONST_9 C5 C17 C6 C20 180.000 0.000 0
AKT var_2 C17 C6 O6 HO6 -89.975 20.000 1
AKT CONST_10 C17 C6 C20 C7 180.000 0.000 0
AKT CONST_11 C6 C20 C19 C11 0.000 0.000 0
AKT var_3 C20 C19 C10 C9 30.000 20.000 2
AKT CONST_12 C20 C19 C11 C18 0.000 0.000 0
AKT CONST_13 C19 C11 C18 C12 180.000 0.000 0
AKT CONST_14 C11 C18 C17 C5 180.000 0.000 0
AKT CONST_15 C11 C18 C12 O12 0.000 0.000 0
AKT CONST_16 C18 C12 C15 C16 0.000 0.000 0
AKT var_4 C6 C20 C7 O7 90.000 20.000 1
AKT var_5 C20 C7 C8 C9 -60.000 20.000 3
AKT var_6 C7 C8 C9 C10 60.000 20.000 1
AKT var_7 C8 C9 C13 C14 -174.482 20.000 1
AKT var_8 C9 C13 C14 H141 -179.980 20.000 3
AKT var_9 C8 C9 O9 HO9 179.519 20.000 1
AKT var_10 C8 C9 C10 C19 -60.000 20.000 1
AKT var_11 C20 C7 O7 "C1'" -123.236 20.000 1
AKT var_12 C7 O7 "C1'" "O5'" -74.008 20.000 1
AKT var_13 O7 "C1'" "C2'" "C3'" 60.000 20.000 3
AKT var_14 O7 "C1'" "O5'" "C5'" -60.000 20.000 1
AKT var_15 "C1'" "O5'" "C5'" "C4'" -60.000 20.000 1
AKT var_16 "O5'" "C5'" "C6'" "H6'1" -179.757 20.000 3
AKT var_17 "O5'" "C5'" "C4'" "C3'" 60.000 20.000 3
AKT var_18 "C5'" "C4'" "O4'" H1 -60.343 20.000 1
AKT var_19 "C5'" "C4'" "C3'" "N3'" 180.000 20.000 3
AKT var_20 "C4'" "C3'" "C2'" "C1'" 60.000 20.000 3
AKT var_21 "C4'" "C3'" "N3'" "C8'" 179.252 20.000 1
AKT var_22 "C3'" "N3'" "C7'" "H7'1" 59.974 20.000 1
AKT var_23 "C3'" "N3'" "C8'" "H8'1" -179.965 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
AKT chir_01 C7 C20 C8 O7 positiv
AKT chir_02 C9 C10 C8 O9 negativ
AKT chir_03 "C1'" O7 "C2'" "O5'" negativ
AKT chir_04 "C3'" "C2'" "N3'" "C4'" positiv
AKT chir_05 "N3'" "C3'" "C8'" "C7'" negativ
AKT chir_06 "C4'" "C3'" "O4'" "C5'" positiv
AKT chir_07 "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
AKT plan-1 C12 0.020
AKT plan-1 O12 0.020
AKT plan-1 C15 0.020
AKT plan-1 C18 0.020
AKT plan-1 C1 0.020
AKT plan-1 C16 0.020
AKT plan-1 C2 0.020
AKT plan-1 C3 0.020
AKT plan-1 C4 0.020
AKT plan-1 H2 0.020
AKT plan-1 H3 0.020
AKT plan-1 H4 0.020
AKT plan-1 C5 0.020
AKT plan-1 O4 0.020
AKT plan-1 O5 0.020
AKT plan-1 C17 0.020
AKT plan-1 C11 0.020
AKT plan-1 C6 0.020
AKT plan-1 C19 0.020
AKT plan-1 C20 0.020
AKT plan-1 O6 0.020
AKT plan-1 H11 0.020
AKT plan-1 C10 0.020
AKT plan-1 C7 0.020
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