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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
VTQ VTQ 'RRR-ALPHA-TOCOPHERYLQUINONE ' non-polymer 82 32 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VTQ
#
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
VTQ O2 O O 0.000 0.000 0.000 0.000
VTQ C7 C CR6 0.000 -0.705 0.054 0.987
VTQ C2 C CR6 0.000 -2.027 0.708 0.915
VTQ C8 C CH3 0.000 -2.500 1.310 -0.383
VTQ H8C3 H H 0.000 -3.398 0.837 -0.685
VTQ H8C2 H H 0.000 -2.674 2.346 -0.249
VTQ H8C1 H H 0.000 -1.760 1.170 -1.128
VTQ C6 C CR6 0.000 -0.241 -0.534 2.259
VTQ C13 C CH3 0.000 1.108 -1.203 2.333
VTQ H133 H H 0.000 1.709 -0.708 3.050
VTQ H132 H H 0.000 0.984 -2.217 2.616
VTQ H131 H H 0.000 1.578 -1.156 1.385
VTQ C5 C CR6 0.000 -1.019 -0.475 3.348
VTQ C12 C CH3 0.000 -0.546 -1.076 4.646
VTQ H123 H H 0.000 -0.371 -2.112 4.512
VTQ H122 H H 0.000 0.352 -0.603 4.948
VTQ H121 H H 0.000 -1.286 -0.936 5.390
VTQ C4 C CR6 0.000 -2.339 0.184 3.277
VTQ O1 O O 0.000 -3.044 0.239 4.264
VTQ C3 C CR6 0.000 -2.805 0.768 2.003
VTQ C10 C CH2 0.000 -4.154 1.437 1.931
VTQ H101 H H 0.000 -4.126 2.231 1.181
VTQ H102 H H 0.000 -4.400 1.866 2.904
VTQ C11 C CH2 0.000 -5.215 0.404 1.543
VTQ H111 H H 0.000 -5.241 -0.389 2.293
VTQ H112 H H 0.000 -4.966 -0.025 0.570
VTQ C9 C CT 0.000 -6.584 1.084 1.468
VTQ O3 O OH1 0.000 -6.907 1.644 2.742
VTQ H3 H H 0.000 -6.931 0.941 3.406
VTQ C14 C CH3 0.000 -6.546 2.195 0.418
VTQ H143 H H 0.000 -7.493 2.666 0.366
VTQ H142 H H 0.000 -5.812 2.911 0.686
VTQ H141 H H 0.000 -6.305 1.782 -0.527
VTQ C15 C CH2 0.000 -7.645 0.052 1.081
VTQ H151 H H 0.000 -7.671 -0.740 1.832
VTQ H152 H H 0.000 -7.396 -0.377 0.108
VTQ C16 C CH2 0.000 -9.013 0.730 1.006
VTQ H161 H H 0.000 -8.984 1.524 0.257
VTQ H162 H H 0.000 -9.260 1.159 1.980
VTQ C17 C CH2 0.000 -10.073 -0.300 0.619
VTQ H171 H H 0.000 -10.099 -1.094 1.368
VTQ H172 H H 0.000 -9.824 -0.728 -0.354
VTQ C18 C CH1 0.000 -11.442 0.378 0.545
VTQ H18 H H 0.000 -11.415 1.176 -0.210
VTQ C19 C CH3 0.000 -11.789 0.977 1.908
VTQ H193 H H 0.000 -11.056 1.692 2.177
VTQ H192 H H 0.000 -12.737 1.447 1.857
VTQ H191 H H 0.000 -11.816 0.208 2.637
VTQ C20 C CH2 0.000 -12.503 -0.653 0.157
VTQ H201 H H 0.000 -12.529 -1.447 0.907
VTQ H202 H H 0.000 -12.254 -1.082 -0.816
VTQ C21 C CH2 0.000 -13.873 0.025 0.082
VTQ H211 H H 0.000 -13.844 0.818 -0.667
VTQ H212 H H 0.000 -14.119 0.454 1.056
VTQ C22 C CH2 0.000 -14.933 -1.007 -0.306
VTQ H221 H H 0.000 -14.959 -1.801 0.444
VTQ H222 H H 0.000 -14.685 -1.435 -1.279
VTQ C23 C CH1 0.000 -16.302 -0.328 -0.379
VTQ H23 H H 0.000 -16.274 0.470 -1.134
VTQ C1 C CH3 0.000 -16.649 0.271 0.984
VTQ H1C3 H H 0.000 -15.915 0.986 1.254
VTQ H1C2 H H 0.000 -17.596 0.742 0.933
VTQ H1C1 H H 0.000 -16.676 -0.497 1.712
VTQ C24 C CH2 0.000 -17.363 -1.360 -0.767
VTQ H241 H H 0.000 -17.389 -2.153 -0.017
VTQ H242 H H 0.000 -17.114 -1.789 -1.740
VTQ C25 C CH2 0.000 -18.732 -0.681 -0.842
VTQ H251 H H 0.000 -18.703 0.113 -1.592
VTQ H252 H H 0.000 -18.978 -0.252 0.131
VTQ C26 C CH2 0.000 -19.793 -1.713 -1.230
VTQ H261 H H 0.000 -19.819 -2.506 -0.480
VTQ H262 H H 0.000 -19.544 -2.141 -2.203
VTQ C27 C CH1 0.000 -21.162 -1.034 -1.304
VTQ H27 H H 0.000 -21.135 -0.235 -2.058
VTQ C29 C CH3 0.000 -21.508 -0.435 0.060
VTQ H293 H H 0.000 -20.774 0.279 0.329
VTQ H292 H H 0.000 -22.456 0.036 0.009
VTQ H291 H H 0.000 -21.535 -1.205 0.787
VTQ C28 C CH3 0.000 -22.223 -2.066 -1.691
VTQ H283 H H 0.000 -21.984 -2.482 -2.636
VTQ H282 H H 0.000 -22.251 -2.836 -0.964
VTQ H281 H H 0.000 -23.171 -1.596 -1.743
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
VTQ O2 n/a C7 START
VTQ C7 O2 C6 .
VTQ C2 C7 C8 .
VTQ C8 C2 H8C1 .
VTQ H8C3 C8 . .
VTQ H8C2 C8 . .
VTQ H8C1 C8 . .
VTQ C6 C7 C5 .
VTQ C13 C6 H131 .
VTQ H133 C13 . .
VTQ H132 C13 . .
VTQ H131 C13 . .
VTQ C5 C6 C4 .
VTQ C12 C5 H121 .
VTQ H123 C12 . .
VTQ H122 C12 . .
VTQ H121 C12 . .
VTQ C4 C5 C3 .
VTQ O1 C4 . .
VTQ C3 C4 C10 .
VTQ C10 C3 C11 .
VTQ H101 C10 . .
VTQ H102 C10 . .
VTQ C11 C10 C9 .
VTQ H111 C11 . .
VTQ H112 C11 . .
VTQ C9 C11 C15 .
VTQ O3 C9 H3 .
VTQ H3 O3 . .
VTQ C14 C9 H141 .
VTQ H143 C14 . .
VTQ H142 C14 . .
VTQ H141 C14 . .
VTQ C15 C9 C16 .
VTQ H151 C15 . .
VTQ H152 C15 . .
VTQ C16 C15 C17 .
VTQ H161 C16 . .
VTQ H162 C16 . .
VTQ C17 C16 C18 .
VTQ H171 C17 . .
VTQ H172 C17 . .
VTQ C18 C17 C20 .
VTQ H18 C18 . .
VTQ C19 C18 H191 .
VTQ H193 C19 . .
VTQ H192 C19 . .
VTQ H191 C19 . .
VTQ C20 C18 C21 .
VTQ H201 C20 . .
VTQ H202 C20 . .
VTQ C21 C20 C22 .
VTQ H211 C21 . .
VTQ H212 C21 . .
VTQ C22 C21 C23 .
VTQ H221 C22 . .
VTQ H222 C22 . .
VTQ C23 C22 C24 .
VTQ H23 C23 . .
VTQ C1 C23 H1C1 .
VTQ H1C3 C1 . .
VTQ H1C2 C1 . .
VTQ H1C1 C1 . .
VTQ C24 C23 C25 .
VTQ H241 C24 . .
VTQ H242 C24 . .
VTQ C25 C24 C26 .
VTQ H251 C25 . .
VTQ H252 C25 . .
VTQ C26 C25 C27 .
VTQ H261 C26 . .
VTQ H262 C26 . .
VTQ C27 C26 C28 .
VTQ H27 C27 . .
VTQ C29 C27 H291 .
VTQ H293 C29 . .
VTQ H292 C29 . .
VTQ H291 C29 . .
VTQ C28 C27 H281 .
VTQ H283 C28 . .
VTQ H282 C28 . .
VTQ H281 C28 . END
VTQ C3 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
VTQ O3 C9 single 1.432 0.020
VTQ H3 O3 single 0.967 0.020
VTQ C14 C9 single 1.524 0.020
VTQ C9 C11 single 1.524 0.020
VTQ C15 C9 single 1.524 0.020
VTQ H141 C14 single 1.059 0.020
VTQ H142 C14 single 1.059 0.020
VTQ H143 C14 single 1.059 0.020
VTQ C11 C10 single 1.524 0.020
VTQ H111 C11 single 1.092 0.020
VTQ H112 C11 single 1.092 0.020
VTQ C10 C3 single 1.511 0.020
VTQ H101 C10 single 1.092 0.020
VTQ H102 C10 single 1.092 0.020
VTQ C3 C2 double 1.487 0.020
VTQ C3 C4 single 1.487 0.020
VTQ C8 C2 single 1.506 0.020
VTQ C2 C7 single 1.487 0.020
VTQ H8C1 C8 single 1.059 0.020
VTQ H8C2 C8 single 1.059 0.020
VTQ H8C3 C8 single 1.059 0.020
VTQ O1 C4 double 1.250 0.020
VTQ C4 C5 single 1.487 0.020
VTQ C12 C5 single 1.506 0.020
VTQ C5 C6 double 1.487 0.020
VTQ H121 C12 single 1.059 0.020
VTQ H122 C12 single 1.059 0.020
VTQ H123 C12 single 1.059 0.020
VTQ C13 C6 single 1.506 0.020
VTQ C6 C7 single 1.487 0.020
VTQ H131 C13 single 1.059 0.020
VTQ H132 C13 single 1.059 0.020
VTQ H133 C13 single 1.059 0.020
VTQ C7 O2 double 1.250 0.020
VTQ C16 C15 single 1.524 0.020
VTQ H151 C15 single 1.092 0.020
VTQ H152 C15 single 1.092 0.020
VTQ C17 C16 single 1.524 0.020
VTQ H161 C16 single 1.092 0.020
VTQ H162 C16 single 1.092 0.020
VTQ C18 C17 single 1.524 0.020
VTQ H171 C17 single 1.092 0.020
VTQ H172 C17 single 1.092 0.020
VTQ C19 C18 single 1.524 0.020
VTQ C20 C18 single 1.524 0.020
VTQ H18 C18 single 1.099 0.020
VTQ H191 C19 single 1.059 0.020
VTQ H192 C19 single 1.059 0.020
VTQ H193 C19 single 1.059 0.020
VTQ C21 C20 single 1.524 0.020
VTQ H201 C20 single 1.092 0.020
VTQ H202 C20 single 1.092 0.020
VTQ C22 C21 single 1.524 0.020
VTQ H211 C21 single 1.092 0.020
VTQ H212 C21 single 1.092 0.020
VTQ C23 C22 single 1.524 0.020
VTQ H221 C22 single 1.092 0.020
VTQ H222 C22 single 1.092 0.020
VTQ C1 C23 single 1.524 0.020
VTQ C24 C23 single 1.524 0.020
VTQ H23 C23 single 1.099 0.020
VTQ H1C1 C1 single 1.059 0.020
VTQ H1C2 C1 single 1.059 0.020
VTQ H1C3 C1 single 1.059 0.020
VTQ C25 C24 single 1.524 0.020
VTQ H241 C24 single 1.092 0.020
VTQ H242 C24 single 1.092 0.020
VTQ C26 C25 single 1.524 0.020
VTQ H251 C25 single 1.092 0.020
VTQ H252 C25 single 1.092 0.020
VTQ C27 C26 single 1.524 0.020
VTQ H261 C26 single 1.092 0.020
VTQ H262 C26 single 1.092 0.020
VTQ C28 C27 single 1.524 0.020
VTQ C29 C27 single 1.524 0.020
VTQ H27 C27 single 1.099 0.020
VTQ H281 C28 single 1.059 0.020
VTQ H282 C28 single 1.059 0.020
VTQ H283 C28 single 1.059 0.020
VTQ H291 C29 single 1.059 0.020
VTQ H292 C29 single 1.059 0.020
VTQ H293 C29 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
VTQ O2 C7 C2 120.000 3.000
VTQ O2 C7 C6 120.000 3.000
VTQ C2 C7 C6 120.000 3.000
VTQ C7 C2 C8 120.000 3.000
VTQ C7 C2 C3 120.000 3.000
VTQ C8 C2 C3 120.000 3.000
VTQ C2 C8 H8C3 109.470 3.000
VTQ C2 C8 H8C2 109.470 3.000
VTQ C2 C8 H8C1 109.470 3.000
VTQ H8C3 C8 H8C2 109.470 3.000
VTQ H8C3 C8 H8C1 109.470 3.000
VTQ H8C2 C8 H8C1 109.470 3.000
VTQ C7 C6 C13 120.000 3.000
VTQ C7 C6 C5 120.000 3.000
VTQ C13 C6 C5 120.000 3.000
VTQ C6 C13 H133 109.470 3.000
VTQ C6 C13 H132 109.470 3.000
VTQ C6 C13 H131 109.470 3.000
VTQ H133 C13 H132 109.470 3.000
VTQ H133 C13 H131 109.470 3.000
VTQ H132 C13 H131 109.470 3.000
VTQ C6 C5 C12 120.000 3.000
VTQ C6 C5 C4 120.000 3.000
VTQ C12 C5 C4 120.000 3.000
VTQ C5 C12 H123 109.470 3.000
VTQ C5 C12 H122 109.470 3.000
VTQ C5 C12 H121 109.470 3.000
VTQ H123 C12 H122 109.470 3.000
VTQ H123 C12 H121 109.470 3.000
VTQ H122 C12 H121 109.470 3.000
VTQ C5 C4 O1 120.000 3.000
VTQ C5 C4 C3 120.000 3.000
VTQ O1 C4 C3 120.000 3.000
VTQ C4 C3 C10 120.000 3.000
VTQ C4 C3 C2 120.000 3.000
VTQ C10 C3 C2 120.000 3.000
VTQ C3 C10 H101 109.470 3.000
VTQ C3 C10 H102 109.470 3.000
VTQ C3 C10 C11 109.470 3.000
VTQ H101 C10 H102 107.900 3.000
VTQ H101 C10 C11 109.470 3.000
VTQ H102 C10 C11 109.470 3.000
VTQ C10 C11 H111 109.470 3.000
VTQ C10 C11 H112 109.470 3.000
VTQ C10 C11 C9 111.000 3.000
VTQ H111 C11 H112 107.900 3.000
VTQ H111 C11 C9 109.470 3.000
VTQ H112 C11 C9 109.470 3.000
VTQ C11 C9 O3 109.470 3.000
VTQ C11 C9 C14 111.000 3.000
VTQ C11 C9 C15 111.000 3.000
VTQ O3 C9 C14 109.470 3.000
VTQ O3 C9 C15 109.470 3.000
VTQ C14 C9 C15 111.000 3.000
VTQ C9 O3 H3 109.470 3.000
VTQ C9 C14 H143 109.470 3.000
VTQ C9 C14 H142 109.470 3.000
VTQ C9 C14 H141 109.470 3.000
VTQ H143 C14 H142 109.470 3.000
VTQ H143 C14 H141 109.470 3.000
VTQ H142 C14 H141 109.470 3.000
VTQ C9 C15 H151 109.470 3.000
VTQ C9 C15 H152 109.470 3.000
VTQ C9 C15 C16 111.000 3.000
VTQ H151 C15 H152 107.900 3.000
VTQ H151 C15 C16 109.470 3.000
VTQ H152 C15 C16 109.470 3.000
VTQ C15 C16 H161 109.470 3.000
VTQ C15 C16 H162 109.470 3.000
VTQ C15 C16 C17 111.000 3.000
VTQ H161 C16 H162 107.900 3.000
VTQ H161 C16 C17 109.470 3.000
VTQ H162 C16 C17 109.470 3.000
VTQ C16 C17 H171 109.470 3.000
VTQ C16 C17 H172 109.470 3.000
VTQ C16 C17 C18 111.000 3.000
VTQ H171 C17 H172 107.900 3.000
VTQ H171 C17 C18 109.470 3.000
VTQ H172 C17 C18 109.470 3.000
VTQ C17 C18 H18 108.340 3.000
VTQ C17 C18 C19 111.000 3.000
VTQ C17 C18 C20 109.470 3.000
VTQ H18 C18 C19 108.340 3.000
VTQ H18 C18 C20 108.340 3.000
VTQ C19 C18 C20 111.000 3.000
VTQ C18 C19 H193 109.470 3.000
VTQ C18 C19 H192 109.470 3.000
VTQ C18 C19 H191 109.470 3.000
VTQ H193 C19 H192 109.470 3.000
VTQ H193 C19 H191 109.470 3.000
VTQ H192 C19 H191 109.470 3.000
VTQ C18 C20 H201 109.470 3.000
VTQ C18 C20 H202 109.470 3.000
VTQ C18 C20 C21 111.000 3.000
VTQ H201 C20 H202 107.900 3.000
VTQ H201 C20 C21 109.470 3.000
VTQ H202 C20 C21 109.470 3.000
VTQ C20 C21 H211 109.470 3.000
VTQ C20 C21 H212 109.470 3.000
VTQ C20 C21 C22 111.000 3.000
VTQ H211 C21 H212 107.900 3.000
VTQ H211 C21 C22 109.470 3.000
VTQ H212 C21 C22 109.470 3.000
VTQ C21 C22 H221 109.470 3.000
VTQ C21 C22 H222 109.470 3.000
VTQ C21 C22 C23 111.000 3.000
VTQ H221 C22 H222 107.900 3.000
VTQ H221 C22 C23 109.470 3.000
VTQ H222 C22 C23 109.470 3.000
VTQ C22 C23 H23 108.340 3.000
VTQ C22 C23 C1 111.000 3.000
VTQ C22 C23 C24 109.470 3.000
VTQ H23 C23 C1 108.340 3.000
VTQ H23 C23 C24 108.340 3.000
VTQ C1 C23 C24 111.000 3.000
VTQ C23 C1 H1C3 109.470 3.000
VTQ C23 C1 H1C2 109.470 3.000
VTQ C23 C1 H1C1 109.470 3.000
VTQ H1C3 C1 H1C2 109.470 3.000
VTQ H1C3 C1 H1C1 109.470 3.000
VTQ H1C2 C1 H1C1 109.470 3.000
VTQ C23 C24 H241 109.470 3.000
VTQ C23 C24 H242 109.470 3.000
VTQ C23 C24 C25 111.000 3.000
VTQ H241 C24 H242 107.900 3.000
VTQ H241 C24 C25 109.470 3.000
VTQ H242 C24 C25 109.470 3.000
VTQ C24 C25 H251 109.470 3.000
VTQ C24 C25 H252 109.470 3.000
VTQ C24 C25 C26 111.000 3.000
VTQ H251 C25 H252 107.900 3.000
VTQ H251 C25 C26 109.470 3.000
VTQ H252 C25 C26 109.470 3.000
VTQ C25 C26 H261 109.470 3.000
VTQ C25 C26 H262 109.470 3.000
VTQ C25 C26 C27 111.000 3.000
VTQ H261 C26 H262 107.900 3.000
VTQ H261 C26 C27 109.470 3.000
VTQ H262 C26 C27 109.470 3.000
VTQ C26 C27 H27 108.340 3.000
VTQ C26 C27 C29 111.000 3.000
VTQ C26 C27 C28 111.000 3.000
VTQ H27 C27 C29 108.340 3.000
VTQ H27 C27 C28 108.340 3.000
VTQ C29 C27 C28 111.000 3.000
VTQ C27 C29 H293 109.470 3.000
VTQ C27 C29 H292 109.470 3.000
VTQ C27 C29 H291 109.470 3.000
VTQ H293 C29 H292 109.470 3.000
VTQ H293 C29 H291 109.470 3.000
VTQ H292 C29 H291 109.470 3.000
VTQ C27 C28 H283 109.470 3.000
VTQ C27 C28 H282 109.470 3.000
VTQ C27 C28 H281 109.470 3.000
VTQ H283 C28 H282 109.470 3.000
VTQ H283 C28 H281 109.470 3.000
VTQ H282 C28 H281 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
VTQ CONST_1 O2 C7 C2 C8 0.000 0.000 0
VTQ var_1 C7 C2 C8 H8C1 0.064 20.000 1
VTQ CONST_2 O2 C7 C6 C5 180.000 0.000 0
VTQ var_2 C7 C6 C13 H131 0.033 20.000 1
VTQ CONST_3 C7 C6 C5 C4 0.000 0.000 0
VTQ var_3 C6 C5 C12 H121 179.997 20.000 1
VTQ CONST_4 C6 C5 C4 C3 0.000 0.000 0
VTQ CONST_5 C5 C4 C3 C10 180.000 0.000 0
VTQ CONST_6 C4 C3 C2 C7 0.000 0.000 0
VTQ var_4 C4 C3 C10 C11 -90.304 20.000 2
VTQ var_5 C3 C10 C11 C9 -179.956 20.000 3
VTQ var_6 C10 C11 C9 C15 -179.969 20.000 1
VTQ var_7 C11 C9 O3 H3 -59.978 20.000 1
VTQ var_8 C11 C9 C14 H141 59.992 20.000 1
VTQ var_9 C11 C9 C15 C16 179.985 20.000 1
VTQ var_10 C9 C15 C16 C17 179.953 20.000 3
VTQ var_11 C15 C16 C17 C18 179.960 20.000 3
VTQ var_12 C16 C17 C18 C20 -179.999 20.000 3
VTQ var_13 C17 C18 C19 H191 -60.014 20.000 3
VTQ var_14 C17 C18 C20 C21 -179.961 20.000 3
VTQ var_15 C18 C20 C21 C22 -179.992 20.000 3
VTQ var_16 C20 C21 C22 C23 179.969 20.000 3
VTQ var_17 C21 C22 C23 C24 180.000 20.000 3
VTQ var_18 C22 C23 C1 H1C1 -60.015 20.000 3
VTQ var_19 C22 C23 C24 C25 -179.962 20.000 3
VTQ var_20 C23 C24 C25 C26 180.000 20.000 3
VTQ var_21 C24 C25 C26 C27 179.961 20.000 3
VTQ var_22 C25 C26 C27 C28 180.000 20.000 3
VTQ var_23 C26 C27 C29 H291 -60.039 20.000 3
VTQ var_24 C26 C27 C28 H281 -179.982 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
VTQ chir_01 C9 O3 C14 C11 negativ
VTQ chir_02 C18 C17 C19 C20 positiv
VTQ chir_03 C23 C22 C1 C24 positiv
VTQ chir_04 C27 C26 C28 C29 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
VTQ plan-1 C3 0.020
VTQ plan-1 C10 0.020
VTQ plan-1 C2 0.020
VTQ plan-1 C4 0.020
VTQ plan-1 C5 0.020
VTQ plan-1 C6 0.020
VTQ plan-1 C7 0.020
VTQ plan-1 C8 0.020
VTQ plan-1 O1 0.020
VTQ plan-1 C12 0.020
VTQ plan-1 C13 0.020
VTQ plan-1 O2 0.020
# ------------------------------------------------------
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