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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
HC3 HC3 '25-HYDROXYCHOLESTEROL ' non-polymer 75 29 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_HC3
#
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
HC3 O2 O OH1 0.000 0.000 0.000 0.000
HC3 HO2 H H 0.000 0.088 -0.962 0.029
HC3 C25 C CT 0.000 -0.247 0.415 -1.345
HC3 C26 C CH3 0.000 0.921 -0.018 -2.235
HC3 H263 H H 0.000 1.816 0.428 -1.887
HC3 H262 H H 0.000 1.018 -1.073 -2.204
HC3 H261 H H 0.000 0.739 0.289 -3.233
HC3 C27 C CH3 0.000 -0.386 1.938 -1.393
HC3 H273 H H 0.000 0.508 2.387 -1.044
HC3 H272 H H 0.000 -0.569 2.247 -2.390
HC3 H271 H H 0.000 -1.195 2.240 -0.777
HC3 C24 C CH2 0.000 -1.539 -0.231 -1.850
HC3 H241 H H 0.000 -1.473 -1.315 -1.734
HC3 H242 H H 0.000 -1.680 0.013 -2.905
HC3 C23 C CH2 0.000 -2.724 0.298 -1.040
HC3 H231 H H 0.000 -2.788 1.382 -1.156
HC3 H232 H H 0.000 -2.581 0.054 0.015
HC3 C22 C CH2 0.000 -4.016 -0.347 -1.543
HC3 H221 H H 0.000 -3.950 -1.431 -1.428
HC3 H222 H H 0.000 -4.157 -0.103 -2.598
HC3 C20 C CH1 0.000 -5.201 0.182 -0.733
HC3 H20 H H 0.000 -5.016 0.015 0.337
HC3 C21 C CH3 0.000 -5.368 1.680 -0.994
HC3 H213 H H 0.000 -4.487 2.190 -0.704
HC3 H212 H H 0.000 -5.546 1.842 -2.026
HC3 H211 H H 0.000 -6.189 2.047 -0.434
HC3 C17 C CH1 0.000 -6.474 -0.554 -1.151
HC3 H17 H H 0.000 -6.664 -0.407 -2.224
HC3 C13 C CT 0.000 -7.663 -0.063 -0.332
HC3 C18 C CH3 0.000 -7.210 0.298 1.085
HC3 H183 H H 0.000 -6.711 -0.530 1.519
HC3 H182 H H 0.000 -6.550 1.126 1.046
HC3 H181 H H 0.000 -8.055 0.548 1.674
HC3 C16 C CH2 0.000 -6.351 -2.066 -0.832
HC3 H161 H H 0.000 -5.409 -2.282 -0.323
HC3 H162 H H 0.000 -6.416 -2.664 -1.743
HC3 C15 C CH2 0.000 -7.539 -2.414 0.105
HC3 H151 H H 0.000 -7.270 -2.357 1.162
HC3 H152 H H 0.000 -7.968 -3.395 -0.109
HC3 C14 C CH1 0.000 -8.564 -1.323 -0.222
HC3 H14 H H 0.000 -9.048 -1.531 -1.187
HC3 C8 C CH1 0.000 -9.610 -1.058 0.846
HC3 H8 H H 0.000 -9.124 -0.802 1.798
HC3 C9 C CH1 0.000 -10.479 0.111 0.363
HC3 H9 H H 0.000 -10.978 -0.198 -0.566
HC3 C11 C CH2 0.000 -9.661 1.364 0.062
HC3 H111 H H 0.000 -9.257 1.743 1.003
HC3 H112 H H 0.000 -10.327 2.111 -0.375
HC3 C12 C CH2 0.000 -8.508 1.072 -0.911
HC3 H122 H H 0.000 -7.888 1.963 -1.032
HC3 H121 H H 0.000 -8.907 0.772 -1.882
HC3 C7 C CH2 0.000 -10.493 -2.298 1.019
HC3 H71 H H 0.000 -9.899 -3.114 1.436
HC3 H72 H H 0.000 -10.894 -2.600 0.049
HC3 C6 C C1 0.000 -11.624 -1.974 1.950
HC3 H6 H H 0.000 -12.070 -2.775 2.515
HC3 C5 C C 0.000 -12.091 -0.769 2.105
HC3 C10 C CT 0.000 -11.554 0.434 1.387
HC3 C19 C CH3 0.000 -10.912 1.359 2.423
HC3 H193 H H 0.000 -10.033 0.908 2.804
HC3 H192 H H 0.000 -10.664 2.283 1.967
HC3 H191 H H 0.000 -11.593 1.529 3.216
HC3 C4 C CH2 0.000 -13.245 -0.563 3.071
HC3 H41 H H 0.000 -12.908 0.008 3.939
HC3 H42 H H 0.000 -13.633 -1.529 3.401
HC3 C3 C CH1 0.000 -14.349 0.211 2.346
HC3 H3 H H 0.000 -14.747 -0.401 1.525
HC3 O1 O OH1 0.000 -15.400 0.517 3.266
HC3 HO1 H H 0.000 -15.763 -0.305 3.623
HC3 C2 C CH2 0.000 -13.773 1.511 1.779
HC3 H21 H H 0.000 -13.322 2.089 2.589
HC3 H22 H H 0.000 -14.576 2.093 1.322
HC3 C1 C CH2 0.000 -12.711 1.189 0.727
HC3 H12 H H 0.000 -12.338 2.118 0.289
HC3 H11 H H 0.000 -13.151 0.569 -0.057
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
HC3 O2 n/a C25 START
HC3 HO2 O2 . .
HC3 C25 O2 C24 .
HC3 C26 C25 H261 .
HC3 H263 C26 . .
HC3 H262 C26 . .
HC3 H261 C26 . .
HC3 C27 C25 H271 .
HC3 H273 C27 . .
HC3 H272 C27 . .
HC3 H271 C27 . .
HC3 C24 C25 C23 .
HC3 H241 C24 . .
HC3 H242 C24 . .
HC3 C23 C24 C22 .
HC3 H231 C23 . .
HC3 H232 C23 . .
HC3 C22 C23 C20 .
HC3 H221 C22 . .
HC3 H222 C22 . .
HC3 C20 C22 C17 .
HC3 H20 C20 . .
HC3 C21 C20 H211 .
HC3 H213 C21 . .
HC3 H212 C21 . .
HC3 H211 C21 . .
HC3 C17 C20 C16 .
HC3 H17 C17 . .
HC3 C13 C17 C18 .
HC3 C18 C13 H181 .
HC3 H183 C18 . .
HC3 H182 C18 . .
HC3 H181 C18 . .
HC3 C16 C17 C15 .
HC3 H161 C16 . .
HC3 H162 C16 . .
HC3 C15 C16 C14 .
HC3 H151 C15 . .
HC3 H152 C15 . .
HC3 C14 C15 C8 .
HC3 H14 C14 . .
HC3 C8 C14 C7 .
HC3 H8 C8 . .
HC3 C9 C8 C11 .
HC3 H9 C9 . .
HC3 C11 C9 C12 .
HC3 H111 C11 . .
HC3 H112 C11 . .
HC3 C12 C11 H121 .
HC3 H122 C12 . .
HC3 H121 C12 . .
HC3 C7 C8 C6 .
HC3 H71 C7 . .
HC3 H72 C7 . .
HC3 C6 C7 C5 .
HC3 H6 C6 . .
HC3 C5 C6 C4 .
HC3 C10 C5 C19 .
HC3 C19 C10 H191 .
HC3 H193 C19 . .
HC3 H192 C19 . .
HC3 H191 C19 . .
HC3 C4 C5 C3 .
HC3 H41 C4 . .
HC3 H42 C4 . .
HC3 C3 C4 C2 .
HC3 H3 C3 . .
HC3 O1 C3 HO1 .
HC3 HO1 O1 . .
HC3 C2 C3 C1 .
HC3 H21 C2 . .
HC3 H22 C2 . .
HC3 C1 C2 H11 .
HC3 H12 C1 . .
HC3 H11 C1 . END
HC3 C13 C12 . ADD
HC3 C13 C14 . ADD
HC3 C9 C10 . ADD
HC3 C10 C1 . 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
HC3 C18 C13 single 1.524 0.020
HC3 H181 C18 single 1.059 0.020
HC3 H182 C18 single 1.059 0.020
HC3 H183 C18 single 1.059 0.020
HC3 C13 C12 single 1.524 0.020
HC3 C13 C14 single 1.524 0.020
HC3 C13 C17 single 1.524 0.020
HC3 C12 C11 single 1.524 0.020
HC3 H121 C12 single 1.092 0.020
HC3 H122 C12 single 1.092 0.020
HC3 C11 C9 single 1.524 0.020
HC3 H111 C11 single 1.092 0.020
HC3 H112 C11 single 1.092 0.020
HC3 C9 C10 single 1.524 0.020
HC3 C9 C8 single 1.524 0.020
HC3 H9 C9 single 1.099 0.020
HC3 C19 C10 single 1.524 0.020
HC3 C10 C1 single 1.524 0.020
HC3 C10 C5 single 1.507 0.020
HC3 H191 C19 single 1.059 0.020
HC3 H192 C19 single 1.059 0.020
HC3 H193 C19 single 1.059 0.020
HC3 C1 C2 single 1.524 0.020
HC3 H11 C1 single 1.092 0.020
HC3 H12 C1 single 1.092 0.020
HC3 C2 C3 single 1.524 0.020
HC3 H21 C2 single 1.092 0.020
HC3 H22 C2 single 1.092 0.020
HC3 O1 C3 single 1.432 0.020
HC3 C3 C4 single 1.524 0.020
HC3 H3 C3 single 1.099 0.020
HC3 HO1 O1 single 0.967 0.020
HC3 C4 C5 single 1.510 0.020
HC3 H41 C4 single 1.092 0.020
HC3 H42 C4 single 1.092 0.020
HC3 C5 C6 double 1.340 0.020
HC3 C6 C7 single 1.510 0.020
HC3 H6 C6 single 1.077 0.020
HC3 C7 C8 single 1.524 0.020
HC3 H71 C7 single 1.092 0.020
HC3 H72 C7 single 1.092 0.020
HC3 C8 C14 single 1.524 0.020
HC3 H8 C8 single 1.099 0.020
HC3 C14 C15 single 1.524 0.020
HC3 H14 C14 single 1.099 0.020
HC3 C15 C16 single 1.524 0.020
HC3 H151 C15 single 1.092 0.020
HC3 H152 C15 single 1.092 0.020
HC3 C16 C17 single 1.524 0.020
HC3 H161 C16 single 1.092 0.020
HC3 H162 C16 single 1.092 0.020
HC3 C17 C20 single 1.524 0.020
HC3 H17 C17 single 1.099 0.020
HC3 C21 C20 single 1.524 0.020
HC3 C20 C22 single 1.524 0.020
HC3 H20 C20 single 1.099 0.020
HC3 H211 C21 single 1.059 0.020
HC3 H212 C21 single 1.059 0.020
HC3 H213 C21 single 1.059 0.020
HC3 C22 C23 single 1.524 0.020
HC3 H221 C22 single 1.092 0.020
HC3 H222 C22 single 1.092 0.020
HC3 C23 C24 single 1.524 0.020
HC3 H231 C23 single 1.092 0.020
HC3 H232 C23 single 1.092 0.020
HC3 C24 C25 single 1.524 0.020
HC3 H241 C24 single 1.092 0.020
HC3 H242 C24 single 1.092 0.020
HC3 C26 C25 single 1.524 0.020
HC3 C27 C25 single 1.524 0.020
HC3 C25 O2 single 1.432 0.020
HC3 H261 C26 single 1.059 0.020
HC3 H262 C26 single 1.059 0.020
HC3 H263 C26 single 1.059 0.020
HC3 H271 C27 single 1.059 0.020
HC3 H272 C27 single 1.059 0.020
HC3 H273 C27 single 1.059 0.020
HC3 HO2 O2 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
HC3 HO2 O2 C25 109.470 3.000
HC3 O2 C25 C26 109.470 3.000
HC3 O2 C25 C27 109.470 3.000
HC3 O2 C25 C24 109.470 3.000
HC3 C26 C25 C27 111.000 3.000
HC3 C26 C25 C24 111.000 3.000
HC3 C27 C25 C24 111.000 3.000
HC3 C25 C26 H263 109.470 3.000
HC3 C25 C26 H262 109.470 3.000
HC3 C25 C26 H261 109.470 3.000
HC3 H263 C26 H262 109.470 3.000
HC3 H263 C26 H261 109.470 3.000
HC3 H262 C26 H261 109.470 3.000
HC3 C25 C27 H273 109.470 3.000
HC3 C25 C27 H272 109.470 3.000
HC3 C25 C27 H271 109.470 3.000
HC3 H273 C27 H272 109.470 3.000
HC3 H273 C27 H271 109.470 3.000
HC3 H272 C27 H271 109.470 3.000
HC3 C25 C24 H241 109.470 3.000
HC3 C25 C24 H242 109.470 3.000
HC3 C25 C24 C23 111.000 3.000
HC3 H241 C24 H242 107.900 3.000
HC3 H241 C24 C23 109.470 3.000
HC3 H242 C24 C23 109.470 3.000
HC3 C24 C23 H231 109.470 3.000
HC3 C24 C23 H232 109.470 3.000
HC3 C24 C23 C22 111.000 3.000
HC3 H231 C23 H232 107.900 3.000
HC3 H231 C23 C22 109.470 3.000
HC3 H232 C23 C22 109.470 3.000
HC3 C23 C22 H221 109.470 3.000
HC3 C23 C22 H222 109.470 3.000
HC3 C23 C22 C20 111.000 3.000
HC3 H221 C22 H222 107.900 3.000
HC3 H221 C22 C20 109.470 3.000
HC3 H222 C22 C20 109.470 3.000
HC3 C22 C20 H20 108.340 3.000
HC3 C22 C20 C21 111.000 3.000
HC3 C22 C20 C17 111.000 3.000
HC3 H20 C20 C21 108.340 3.000
HC3 H20 C20 C17 108.340 3.000
HC3 C21 C20 C17 111.000 3.000
HC3 C20 C21 H213 109.470 3.000
HC3 C20 C21 H212 109.470 3.000
HC3 C20 C21 H211 109.470 3.000
HC3 H213 C21 H212 109.470 3.000
HC3 H213 C21 H211 109.470 3.000
HC3 H212 C21 H211 109.470 3.000
HC3 C20 C17 H17 108.340 3.000
HC3 C20 C17 C13 111.000 3.000
HC3 C20 C17 C16 111.000 3.000
HC3 H17 C17 C13 108.340 3.000
HC3 H17 C17 C16 108.340 3.000
HC3 C13 C17 C16 111.000 3.000
HC3 C17 C13 C18 111.000 3.000
HC3 C17 C13 C12 111.000 3.000
HC3 C17 C13 C14 111.000 3.000
HC3 C12 C13 C14 111.000 3.000
HC3 C18 C13 C12 111.000 3.000
HC3 C18 C13 C14 111.000 3.000
HC3 C13 C18 H183 109.470 3.000
HC3 C13 C18 H182 109.470 3.000
HC3 C13 C18 H181 109.470 3.000
HC3 H183 C18 H182 109.470 3.000
HC3 H183 C18 H181 109.470 3.000
HC3 H182 C18 H181 109.470 3.000
HC3 C17 C16 H161 109.470 3.000
HC3 C17 C16 H162 109.470 3.000
HC3 C17 C16 C15 111.000 3.000
HC3 H161 C16 H162 107.900 3.000
HC3 H161 C16 C15 109.470 3.000
HC3 H162 C16 C15 109.470 3.000
HC3 C16 C15 H151 109.470 3.000
HC3 C16 C15 H152 109.470 3.000
HC3 C16 C15 C14 111.000 3.000
HC3 H151 C15 H152 107.900 3.000
HC3 H151 C15 C14 109.470 3.000
HC3 H152 C15 C14 109.470 3.000
HC3 C15 C14 H14 108.340 3.000
HC3 C15 C14 C8 111.000 3.000
HC3 C15 C14 C13 111.000 3.000
HC3 H14 C14 C8 108.340 3.000
HC3 H14 C14 C13 108.340 3.000
HC3 C8 C14 C13 111.000 3.000
HC3 C14 C8 H8 108.340 3.000
HC3 C14 C8 C9 111.000 3.000
HC3 C14 C8 C7 111.000 3.000
HC3 H8 C8 C9 108.340 3.000
HC3 H8 C8 C7 108.340 3.000
HC3 C9 C8 C7 111.000 3.000
HC3 C8 C9 H9 108.340 3.000
HC3 C8 C9 C11 111.000 3.000
HC3 C8 C9 C10 111.000 3.000
HC3 H9 C9 C11 108.340 3.000
HC3 H9 C9 C10 108.340 3.000
HC3 C11 C9 C10 111.000 3.000
HC3 C9 C11 H111 109.470 3.000
HC3 C9 C11 H112 109.470 3.000
HC3 C9 C11 C12 111.000 3.000
HC3 H111 C11 H112 107.900 3.000
HC3 H111 C11 C12 109.470 3.000
HC3 H112 C11 C12 109.470 3.000
HC3 C11 C12 H122 109.470 3.000
HC3 C11 C12 H121 109.470 3.000
HC3 C11 C12 C13 111.000 3.000
HC3 H122 C12 H121 107.900 3.000
HC3 H122 C12 C13 109.470 3.000
HC3 H121 C12 C13 109.470 3.000
HC3 C8 C7 H71 109.470 3.000
HC3 C8 C7 H72 109.470 3.000
HC3 C8 C7 C6 109.470 3.000
HC3 H71 C7 H72 107.900 3.000
HC3 H71 C7 C6 109.470 3.000
HC3 H72 C7 C6 109.470 3.000
HC3 C7 C6 H6 120.000 3.000
HC3 C7 C6 C5 120.500 3.000
HC3 H6 C6 C5 120.000 3.000
HC3 C6 C5 C10 120.000 3.000
HC3 C6 C5 C4 120.000 3.000
HC3 C10 C5 C4 120.000 3.000
HC3 C5 C10 C19 109.470 3.000
HC3 C5 C10 C9 109.470 3.000
HC3 C5 C10 C1 109.470 3.000
HC3 C9 C10 C1 111.000 3.000
HC3 C19 C10 C9 111.000 3.000
HC3 C19 C10 C1 111.000 3.000
HC3 C10 C19 H193 109.470 3.000
HC3 C10 C19 H192 109.470 3.000
HC3 C10 C19 H191 109.470 3.000
HC3 H193 C19 H192 109.470 3.000
HC3 H193 C19 H191 109.470 3.000
HC3 H192 C19 H191 109.470 3.000
HC3 C5 C4 H41 109.470 3.000
HC3 C5 C4 H42 109.470 3.000
HC3 C5 C4 C3 109.470 3.000
HC3 H41 C4 H42 107.900 3.000
HC3 H41 C4 C3 109.470 3.000
HC3 H42 C4 C3 109.470 3.000
HC3 C4 C3 H3 108.340 3.000
HC3 C4 C3 O1 109.470 3.000
HC3 C4 C3 C2 109.470 3.000
HC3 H3 C3 O1 109.470 3.000
HC3 H3 C3 C2 108.340 3.000
HC3 O1 C3 C2 109.470 3.000
HC3 C3 O1 HO1 109.470 3.000
HC3 C3 C2 H21 109.470 3.000
HC3 C3 C2 H22 109.470 3.000
HC3 C3 C2 C1 111.000 3.000
HC3 H21 C2 H22 107.900 3.000
HC3 H21 C2 C1 109.470 3.000
HC3 H22 C2 C1 109.470 3.000
HC3 C2 C1 H12 109.470 3.000
HC3 C2 C1 H11 109.470 3.000
HC3 C2 C1 C10 111.000 3.000
HC3 H12 C1 H11 107.900 3.000
HC3 H12 C1 C10 109.470 3.000
HC3 H11 C1 C10 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
HC3 var_1 HO2 O2 C25 C24 59.966 20.000 1
HC3 var_2 O2 C25 C26 H261 179.997 20.000 1
HC3 var_3 O2 C25 C27 H271 -60.009 20.000 1
HC3 var_4 O2 C25 C24 C23 65.033 20.000 1
HC3 var_5 C25 C24 C23 C22 179.997 20.000 3
HC3 var_6 C24 C23 C22 C20 180.000 20.000 3
HC3 var_7 C23 C22 C20 C17 -174.988 20.000 3
HC3 var_8 C22 C20 C21 H211 179.988 20.000 3
HC3 var_9 C22 C20 C17 C16 62.702 20.000 3
HC3 var_10 C20 C17 C13 C18 -30.000 20.000 1
HC3 var_11 C17 C13 C12 C11 180.000 20.000 1
HC3 var_12 C17 C13 C14 C15 30.000 20.000 1
HC3 var_13 C17 C13 C18 H181 -174.559 20.000 1
HC3 var_14 C20 C17 C16 C15 120.000 20.000 3
HC3 var_15 C17 C16 C15 C14 30.000 20.000 3
HC3 var_16 C16 C15 C14 C8 -150.000 20.000 3
HC3 var_17 C15 C14 C8 C7 -60.000 20.000 3
HC3 var_18 C14 C8 C9 C11 -60.000 20.000 3
HC3 var_19 C8 C9 C10 C5 -30.000 20.000 1
HC3 var_20 C8 C9 C11 C12 60.000 20.000 3
HC3 var_21 C9 C11 C12 C13 -60.000 20.000 3
HC3 var_22 C14 C8 C7 C6 180.000 20.000 3
HC3 var_23 C8 C7 C6 C5 30.000 20.000 1
HC3 var_24 C7 C6 C5 C4 180.000 20.000 1
HC3 var_25 C6 C5 C10 C19 -120.000 20.000 1
HC3 var_26 C5 C10 C1 C2 60.000 20.000 1
HC3 var_27 C5 C10 C19 H191 -51.018 20.000 1
HC3 var_28 C6 C5 C4 C3 -120.000 20.000 3
HC3 var_29 C5 C4 C3 C2 -60.000 20.000 3
HC3 var_30 C4 C3 O1 HO1 -60.019 20.000 1
HC3 var_31 C4 C3 C2 C1 60.000 20.000 3
HC3 var_32 C3 C2 C1 C10 -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
HC3 chir_01 C13 C18 C12 C14 positiv
HC3 chir_02 C9 C11 C10 C8 positiv
HC3 chir_03 C10 C9 C19 C1 negativ
HC3 chir_04 C3 C2 O1 C4 positiv
HC3 chir_05 C8 C9 C7 C14 negativ
HC3 chir_06 C14 C13 C8 C15 positiv
HC3 chir_07 C17 C13 C16 C20 positiv
HC3 chir_08 C20 C17 C21 C22 positiv
HC3 chir_09 C25 C24 C26 C27 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
HC3 plan-1 C5 0.020
HC3 plan-1 C10 0.020
HC3 plan-1 C4 0.020
HC3 plan-1 C6 0.020
HC3 plan-1 H6 0.020
HC3 plan-2 C6 0.020
HC3 plan-2 C5 0.020
HC3 plan-2 C7 0.020
HC3 plan-2 H6 0.020
# ------------------------------------------------------
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