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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
0MA 0MA 'maslinic acid ' non-polymer 79 34 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_0MA
#
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
0MA O29 O OC -0.500 0.000 0.000 0.000
0MA C28 C C 0.000 -1.088 0.573 0.231
0MA O28 O OC -0.500 -1.508 0.667 1.406
0MA C17 C CT 0.000 -1.892 1.152 -0.907
0MA C16 C CH2 0.000 -2.254 0.054 -1.905
0MA H161 H H 0.000 -1.332 -0.358 -2.319
0MA H162 H H 0.000 -2.848 0.495 -2.708
0MA C15 C CH2 0.000 -3.053 -1.059 -1.231
0MA H152 H H 0.000 -2.433 -1.505 -0.452
0MA H151 H H 0.000 -3.292 -1.815 -1.982
0MA C18 C CH1 0.000 -3.160 1.796 -0.356
0MA H18 H H 0.000 -2.883 2.448 0.485
0MA C19 C CH2 0.000 -3.821 2.649 -1.433
0MA H191 H H 0.000 -4.773 3.031 -1.058
0MA H192 H H 0.000 -4.000 2.037 -2.319
0MA C20 C CT 0.000 -2.907 3.822 -1.797
0MA C30 C CH3 0.000 -3.396 4.443 -3.111
0MA H303 H H 0.000 -4.393 4.783 -2.994
0MA H302 H H 0.000 -2.774 5.260 -3.371
0MA H301 H H 0.000 -3.361 3.716 -3.882
0MA C29 C CH3 0.000 -2.955 4.882 -0.698
0MA H293 H H 0.000 -3.953 5.214 -0.571
0MA H292 H H 0.000 -2.604 4.465 0.211
0MA H291 H H 0.000 -2.342 5.702 -0.970
0MA C21 C C1 0.000 -1.497 3.346 -1.981
0MA H21 H H 0.000 -0.803 4.013 -2.464
0MA C22 C C1 0.000 -1.055 2.192 -1.602
0MA H22 H H 0.000 -0.021 1.960 -1.796
0MA C13 C C 0.000 -4.120 0.740 0.150
0MA C14 C CT 0.000 -4.341 -0.529 -0.616
0MA C27 C CH3 0.000 -5.301 -0.203 -1.768
0MA H273 H H 0.000 -4.866 0.531 -2.396
0MA H272 H H 0.000 -5.490 -1.080 -2.332
0MA H271 H H 0.000 -6.214 0.166 -1.376
0MA C12 C C1 0.000 -4.743 1.015 1.267
0MA H12 H H 0.000 -4.540 1.965 1.732
0MA C11 C CH2 0.000 -5.721 0.102 1.948
0MA H111 H H 0.000 -6.574 0.687 2.296
0MA H112 H H 0.000 -5.233 -0.373 2.802
0MA C9 C CH1 0.000 -6.201 -0.971 0.972
0MA H9 H H 0.000 -6.789 -0.456 0.199
0MA C8 C CT 0.000 -5.006 -1.595 0.269
0MA C26 C CH3 0.000 -3.955 -2.029 1.306
0MA H263 H H 0.000 -3.081 -2.367 0.809
0MA H262 H H 0.000 -3.707 -1.207 1.929
0MA H261 H H 0.000 -4.345 -2.815 1.902
0MA C7 C CH2 0.000 -5.378 -2.812 -0.568
0MA H71 H H 0.000 -4.459 -3.309 -0.887
0MA H72 H H 0.000 -5.932 -2.475 -1.446
0MA C6 C CH2 0.000 -6.240 -3.795 0.239
0MA H62 H H 0.000 -5.704 -4.133 1.129
0MA H61 H H 0.000 -6.510 -4.658 -0.372
0MA C10 C CT 0.000 -7.145 -1.960 1.658
0MA C25 C CH3 0.000 -6.532 -2.520 2.936
0MA H253 H H 0.000 -7.265 -3.068 3.469
0MA H252 H H 0.000 -5.724 -3.159 2.689
0MA H251 H H 0.000 -6.180 -1.722 3.537
0MA C5 C CH1 0.000 -7.507 -3.050 0.659
0MA H5 H H 0.000 -7.858 -2.526 -0.241
0MA C4 C CT 0.000 -8.633 -3.973 1.062
0MA C24 C CH3 0.000 -8.197 -5.040 2.067
0MA H243 H H 0.000 -7.294 -5.487 1.739
0MA H242 H H 0.000 -8.044 -4.592 3.015
0MA H241 H H 0.000 -8.949 -5.782 2.146
0MA C23 C CH3 0.000 -9.122 -4.719 -0.204
0MA H233 H H 0.000 -8.321 -5.272 -0.627
0MA H232 H H 0.000 -9.907 -5.385 0.052
0MA H231 H H 0.000 -9.477 -4.020 -0.918
0MA C1 C CH2 0.000 -8.425 -1.197 2.040
0MA H11 H H 0.000 -8.847 -0.729 1.148
0MA H12A H H 0.000 -8.181 -0.425 2.774
0MA C2 C CH1 0.000 -9.442 -2.166 2.639
0MA H2 H H 0.000 -9.009 -2.662 3.518
0MA O2 O OH1 0.000 -10.610 -1.425 3.024
0MA HO2 H H 0.000 -11.264 -2.027 3.406
0MA C3 C CH1 0.000 -9.841 -3.209 1.602
0MA H3 H H 0.000 -10.341 -2.702 0.765
0MA O3 O OH1 0.000 -10.758 -4.138 2.192
0MA HO3 H H 0.000 -11.537 -3.663 2.512
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
0MA O29 n/a C28 START
0MA C28 O29 C17 .
0MA O28 C28 . .
0MA C17 C28 C18 .
0MA C16 C17 C15 .
0MA H161 C16 . .
0MA H162 C16 . .
0MA C15 C16 H151 .
0MA H152 C15 . .
0MA H151 C15 . .
0MA C18 C17 C13 .
0MA H18 C18 . .
0MA C19 C18 C20 .
0MA H191 C19 . .
0MA H192 C19 . .
0MA C20 C19 C21 .
0MA C30 C20 H301 .
0MA H303 C30 . .
0MA H302 C30 . .
0MA H301 C30 . .
0MA C29 C20 H291 .
0MA H293 C29 . .
0MA H292 C29 . .
0MA H291 C29 . .
0MA C21 C20 C22 .
0MA H21 C21 . .
0MA C22 C21 H22 .
0MA H22 C22 . .
0MA C13 C18 C12 .
0MA C14 C13 C27 .
0MA C27 C14 H271 .
0MA H273 C27 . .
0MA H272 C27 . .
0MA H271 C27 . .
0MA C12 C13 C11 .
0MA H12 C12 . .
0MA C11 C12 C9 .
0MA H111 C11 . .
0MA H112 C11 . .
0MA C9 C11 C10 .
0MA H9 C9 . .
0MA C8 C9 C7 .
0MA C26 C8 H261 .
0MA H263 C26 . .
0MA H262 C26 . .
0MA H261 C26 . .
0MA C7 C8 C6 .
0MA H71 C7 . .
0MA H72 C7 . .
0MA C6 C7 H61 .
0MA H62 C6 . .
0MA H61 C6 . .
0MA C10 C9 C1 .
0MA C25 C10 H251 .
0MA H253 C25 . .
0MA H252 C25 . .
0MA H251 C25 . .
0MA C5 C10 C4 .
0MA H5 C5 . .
0MA C4 C5 C23 .
0MA C24 C4 H241 .
0MA H243 C24 . .
0MA H242 C24 . .
0MA H241 C24 . .
0MA C23 C4 H231 .
0MA H233 C23 . .
0MA H232 C23 . .
0MA H231 C23 . .
0MA C1 C10 C2 .
0MA H11 C1 . .
0MA H12A C1 . .
0MA C2 C1 C3 .
0MA H2 C2 . .
0MA O2 C2 HO2 .
0MA HO2 O2 . .
0MA C3 C2 O3 .
0MA H3 C3 . .
0MA O3 C3 HO3 .
0MA HO3 O3 . END
0MA C3 C4 . ADD
0MA C5 C6 . ADD
0MA C8 C14 . ADD
0MA C14 C15 . ADD
0MA C17 C22 . 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
0MA O28 C28 deloc 1.250 0.020
0MA C28 O29 deloc 1.250 0.020
0MA C26 C8 single 1.524 0.020
0MA C25 C10 single 1.524 0.020
0MA C17 C28 single 1.507 0.020
0MA C24 C4 single 1.524 0.020
0MA C11 C12 single 1.510 0.020
0MA C9 C11 single 1.524 0.020
0MA C6 C7 single 1.524 0.020
0MA C5 C6 single 1.524 0.020
0MA C8 C9 single 1.524 0.020
0MA C7 C8 single 1.524 0.020
0MA C8 C14 single 1.524 0.020
0MA C10 C9 single 1.524 0.020
0MA C5 C10 single 1.524 0.020
0MA C1 C10 single 1.524 0.020
0MA C17 C22 single 1.510 0.020
0MA C18 C17 single 1.524 0.020
0MA C16 C17 single 1.524 0.020
0MA C12 C13 double 1.340 0.020
0MA C22 C21 double 1.330 0.020
0MA C13 C18 single 1.500 0.020
0MA C14 C13 single 1.507 0.020
0MA C14 C15 single 1.524 0.020
0MA C15 C16 single 1.524 0.020
0MA C19 C18 single 1.524 0.020
0MA C4 C5 single 1.524 0.020
0MA C3 C4 single 1.524 0.020
0MA C23 C4 single 1.524 0.020
0MA C2 C1 single 1.524 0.020
0MA C3 C2 single 1.524 0.020
0MA O2 C2 single 1.432 0.020
0MA C27 C14 single 1.524 0.020
0MA C29 C20 single 1.524 0.020
0MA O3 C3 single 1.432 0.020
0MA C21 C20 single 1.510 0.020
0MA C20 C19 single 1.524 0.020
0MA C30 C20 single 1.524 0.020
0MA HO3 O3 single 0.967 0.020
0MA H3 C3 single 1.099 0.020
0MA H231 C23 single 1.059 0.020
0MA H232 C23 single 1.059 0.020
0MA H233 C23 single 1.059 0.020
0MA H241 C24 single 1.059 0.020
0MA H242 C24 single 1.059 0.020
0MA H243 C24 single 1.059 0.020
0MA H5 C5 single 1.099 0.020
0MA H61 C6 single 1.092 0.020
0MA H62 C6 single 1.092 0.020
0MA H71 C7 single 1.092 0.020
0MA H72 C7 single 1.092 0.020
0MA H261 C26 single 1.059 0.020
0MA H262 C26 single 1.059 0.020
0MA H263 C26 single 1.059 0.020
0MA H271 C27 single 1.059 0.020
0MA H272 C27 single 1.059 0.020
0MA H273 C27 single 1.059 0.020
0MA H151 C15 single 1.092 0.020
0MA H152 C15 single 1.092 0.020
0MA H161 C16 single 1.092 0.020
0MA H162 C16 single 1.092 0.020
0MA H22 C22 single 1.077 0.020
0MA H21 C21 single 1.077 0.020
0MA H291 C29 single 1.059 0.020
0MA H292 C29 single 1.059 0.020
0MA H293 C29 single 1.059 0.020
0MA H301 C30 single 1.059 0.020
0MA H302 C30 single 1.059 0.020
0MA H303 C30 single 1.059 0.020
0MA H191 C19 single 1.092 0.020
0MA H192 C19 single 1.092 0.020
0MA H18 C18 single 1.099 0.020
0MA H12 C12 single 1.077 0.020
0MA H111 C11 single 1.092 0.020
0MA H112 C11 single 1.092 0.020
0MA H9 C9 single 1.099 0.020
0MA H251 C25 single 1.059 0.020
0MA H252 C25 single 1.059 0.020
0MA H253 C25 single 1.059 0.020
0MA H11 C1 single 1.092 0.020
0MA H12A C1 single 1.092 0.020
0MA H2 C2 single 1.099 0.020
0MA 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
0MA O29 C28 O28 123.000 3.000
0MA O29 C28 C17 118.500 3.000
0MA O28 C28 C17 118.500 3.000
0MA C28 C17 C16 109.470 3.000
0MA C28 C17 C18 109.470 3.000
0MA C28 C17 C22 109.500 3.000
0MA C16 C17 C18 111.000 3.000
0MA C16 C17 C22 109.470 3.000
0MA C18 C17 C22 109.470 3.000
0MA C17 C16 H161 109.470 3.000
0MA C17 C16 H162 109.470 3.000
0MA C17 C16 C15 111.000 3.000
0MA H161 C16 H162 107.900 3.000
0MA H161 C16 C15 109.470 3.000
0MA H162 C16 C15 109.470 3.000
0MA C16 C15 H152 109.470 3.000
0MA C16 C15 H151 109.470 3.000
0MA C16 C15 C14 111.000 3.000
0MA H152 C15 H151 107.900 3.000
0MA H152 C15 C14 109.470 3.000
0MA H151 C15 C14 109.470 3.000
0MA C17 C18 H18 108.340 3.000
0MA C17 C18 C19 111.000 3.000
0MA C17 C18 C13 109.470 3.000
0MA H18 C18 C19 108.340 3.000
0MA H18 C18 C13 108.810 3.000
0MA C19 C18 C13 109.470 3.000
0MA C18 C19 H191 109.470 3.000
0MA C18 C19 H192 109.470 3.000
0MA C18 C19 C20 111.000 3.000
0MA H191 C19 H192 107.900 3.000
0MA H191 C19 C20 109.470 3.000
0MA H192 C19 C20 109.470 3.000
0MA C19 C20 C30 111.000 3.000
0MA C19 C20 C29 111.000 3.000
0MA C19 C20 C21 109.470 3.000
0MA C30 C20 C29 111.000 3.000
0MA C30 C20 C21 109.470 3.000
0MA C29 C20 C21 109.470 3.000
0MA C20 C30 H303 109.470 3.000
0MA C20 C30 H302 109.470 3.000
0MA C20 C30 H301 109.470 3.000
0MA H303 C30 H302 109.470 3.000
0MA H303 C30 H301 109.470 3.000
0MA H302 C30 H301 109.470 3.000
0MA C20 C29 H293 109.470 3.000
0MA C20 C29 H292 109.470 3.000
0MA C20 C29 H291 109.470 3.000
0MA H293 C29 H292 109.470 3.000
0MA H293 C29 H291 109.470 3.000
0MA H292 C29 H291 109.470 3.000
0MA C20 C21 H21 120.000 3.000
0MA C20 C21 C22 120.000 3.000
0MA H21 C21 C22 120.000 3.000
0MA C21 C22 H22 120.000 3.000
0MA C21 C22 C17 120.000 3.000
0MA H22 C22 C17 120.000 3.000
0MA C18 C13 C14 120.000 3.000
0MA C18 C13 C12 120.000 3.000
0MA C14 C13 C12 120.000 3.000
0MA C13 C14 C27 109.470 3.000
0MA C13 C14 C8 111.000 3.000
0MA C13 C14 C15 109.470 3.000
0MA C8 C14 C15 111.000 3.000
0MA C27 C14 C8 111.000 3.000
0MA C27 C14 C15 111.000 3.000
0MA C14 C27 H273 109.470 3.000
0MA C14 C27 H272 109.470 3.000
0MA C14 C27 H271 109.470 3.000
0MA H273 C27 H272 109.470 3.000
0MA H273 C27 H271 109.470 3.000
0MA H272 C27 H271 109.470 3.000
0MA C13 C12 H12 120.000 3.000
0MA C13 C12 C11 120.500 3.000
0MA H12 C12 C11 120.000 3.000
0MA C12 C11 H111 109.470 3.000
0MA C12 C11 H112 109.470 3.000
0MA C12 C11 C9 109.470 3.000
0MA H111 C11 H112 107.900 3.000
0MA H111 C11 C9 109.470 3.000
0MA H112 C11 C9 109.470 3.000
0MA C11 C9 H9 108.340 3.000
0MA C11 C9 C8 111.000 3.000
0MA C11 C9 C10 111.000 3.000
0MA H9 C9 C8 108.340 3.000
0MA H9 C9 C10 108.340 3.000
0MA C8 C9 C10 109.500 3.000
0MA C9 C8 C26 111.000 3.000
0MA C9 C8 C7 111.000 3.000
0MA C9 C8 C14 111.000 3.000
0MA C26 C8 C7 111.000 3.000
0MA C26 C8 C14 111.000 3.000
0MA C7 C8 C14 111.000 3.000
0MA C8 C26 H263 109.470 3.000
0MA C8 C26 H262 109.470 3.000
0MA C8 C26 H261 109.470 3.000
0MA H263 C26 H262 109.470 3.000
0MA H263 C26 H261 109.470 3.000
0MA H262 C26 H261 109.470 3.000
0MA C8 C7 H71 109.470 3.000
0MA C8 C7 H72 109.470 3.000
0MA C8 C7 C6 111.000 3.000
0MA H71 C7 H72 107.900 3.000
0MA H71 C7 C6 109.470 3.000
0MA H72 C7 C6 109.470 3.000
0MA C7 C6 H62 109.470 3.000
0MA C7 C6 H61 109.470 3.000
0MA C7 C6 C5 111.000 3.000
0MA H62 C6 H61 107.900 3.000
0MA H62 C6 C5 109.470 3.000
0MA H61 C6 C5 109.470 3.000
0MA C9 C10 C25 111.000 3.000
0MA C9 C10 C5 111.000 3.000
0MA C9 C10 C1 111.000 3.000
0MA C25 C10 C5 111.000 3.000
0MA C25 C10 C1 111.000 3.000
0MA C5 C10 C1 111.000 3.000
0MA C10 C25 H253 109.470 3.000
0MA C10 C25 H252 109.470 3.000
0MA C10 C25 H251 109.470 3.000
0MA H253 C25 H252 109.470 3.000
0MA H253 C25 H251 109.470 3.000
0MA H252 C25 H251 109.470 3.000
0MA C10 C5 H5 108.340 3.000
0MA C10 C5 C4 109.500 3.000
0MA C10 C5 C6 111.000 3.000
0MA H5 C5 C4 108.340 3.000
0MA H5 C5 C6 108.340 3.000
0MA C4 C5 C6 111.000 3.000
0MA C5 C4 C24 111.000 3.000
0MA C5 C4 C23 111.000 3.000
0MA C5 C4 C3 111.000 3.000
0MA C24 C4 C23 111.000 3.000
0MA C24 C4 C3 111.000 3.000
0MA C23 C4 C3 111.000 3.000
0MA C4 C24 H243 109.470 3.000
0MA C4 C24 H242 109.470 3.000
0MA C4 C24 H241 109.470 3.000
0MA H243 C24 H242 109.470 3.000
0MA H243 C24 H241 109.470 3.000
0MA H242 C24 H241 109.470 3.000
0MA C4 C23 H233 109.470 3.000
0MA C4 C23 H232 109.470 3.000
0MA C4 C23 H231 109.470 3.000
0MA H233 C23 H232 109.470 3.000
0MA H233 C23 H231 109.470 3.000
0MA H232 C23 H231 109.470 3.000
0MA C10 C1 H11 109.470 3.000
0MA C10 C1 H12A 109.470 3.000
0MA C10 C1 C2 111.000 3.000
0MA H11 C1 H12A 107.900 3.000
0MA H11 C1 C2 109.470 3.000
0MA H12A C1 C2 109.470 3.000
0MA C1 C2 H2 108.340 3.000
0MA C1 C2 O2 109.470 3.000
0MA C1 C2 C3 111.000 3.000
0MA H2 C2 O2 109.470 3.000
0MA H2 C2 C3 108.340 3.000
0MA O2 C2 C3 109.470 3.000
0MA C2 O2 HO2 109.470 3.000
0MA C2 C3 H3 108.340 3.000
0MA C2 C3 O3 109.470 3.000
0MA C2 C3 C4 111.000 3.000
0MA H3 C3 O3 109.470 3.000
0MA H3 C3 C4 108.340 3.000
0MA O3 C3 C4 109.470 3.000
0MA C3 O3 HO3 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
0MA var_1 O29 C28 C17 C18 -179.661 20.000 1
0MA var_2 C28 C17 C22 C21 -150.000 20.000 1
0MA var_3 C28 C17 C16 C15 60.000 20.000 1
0MA var_4 C17 C16 C15 C14 60.000 20.000 3
0MA var_5 C28 C17 C18 C13 -60.000 20.000 1
0MA var_6 C17 C18 C19 C20 -60.000 20.000 3
0MA var_7 C18 C19 C20 C21 60.000 20.000 1
0MA var_8 C19 C20 C30 H301 -60.320 20.000 1
0MA var_9 C19 C20 C29 H291 -178.391 20.000 1
0MA var_10 C19 C20 C21 C22 0.000 20.000 1
0MA var_11 C20 C21 C22 C17 0.000 20.000 1
0MA var_12 C17 C18 C13 C12 150.000 20.000 3
0MA var_13 C18 C13 C14 C27 -90.000 20.000 1
0MA var_14 C13 C14 C15 C16 -60.000 20.000 1
0MA var_15 C13 C14 C27 H271 -59.543 20.000 1
0MA var_16 C18 C13 C12 C11 180.000 20.000 1
0MA var_17 C13 C12 C11 C9 -30.000 20.000 1
0MA var_18 C12 C11 C9 C10 180.000 20.000 3
0MA var_19 C11 C9 C8 C7 180.000 20.000 1
0MA var_20 C9 C8 C14 C13 60.000 20.000 1
0MA var_21 C9 C8 C26 H261 66.044 20.000 1
0MA var_22 C9 C8 C7 C6 -60.000 20.000 1
0MA var_23 C8 C7 C6 C5 60.000 20.000 3
0MA var_24 C11 C9 C10 C1 60.000 20.000 1
0MA var_25 C9 C10 C25 H251 50.477 20.000 1
0MA var_26 C9 C10 C5 C4 180.000 20.000 1
0MA var_27 C10 C5 C6 C7 -60.000 20.000 3
0MA var_28 C10 C5 C4 C23 150.000 20.000 1
0MA var_29 C5 C4 C24 H241 -167.273 20.000 1
0MA var_30 C5 C4 C23 H231 -60.638 20.000 1
0MA var_31 C9 C10 C1 C2 180.000 20.000 1
0MA var_32 C10 C1 C2 C3 -60.000 20.000 3
0MA var_33 C1 C2 O2 HO2 -179.937 20.000 1
0MA var_34 C1 C2 C3 O3 180.000 20.000 3
0MA var_35 C2 C3 C4 C5 -60.000 20.000 1
0MA var_36 C2 C3 O3 HO3 58.804 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
0MA chir_01 C3 O3 C4 C2 positiv
0MA chir_02 C4 C3 C23 C24 positiv
0MA chir_03 C5 C4 C6 C10 positiv
0MA chir_04 C8 C7 C26 C14 negativ
0MA chir_05 C14 C8 C27 C15 positiv
0MA chir_06 C17 C16 C28 C22 negativ
0MA chir_07 C20 C21 C29 C30 negativ
0MA chir_08 C18 C17 C19 C13 negativ
0MA chir_09 C9 C8 C11 C10 positiv
0MA chir_10 C10 C5 C9 C25 positiv
0MA chir_11 C2 C3 C1 O2 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
0MA plan-1 C28 0.020
0MA plan-1 C17 0.020
0MA plan-1 O28 0.020
0MA plan-1 O29 0.020
0MA plan-2 C22 0.020
0MA plan-2 C17 0.020
0MA plan-2 C21 0.020
0MA plan-2 H22 0.020
0MA plan-2 H21 0.020
0MA plan-3 C21 0.020
0MA plan-3 C22 0.020
0MA plan-3 C20 0.020
0MA plan-3 H21 0.020
0MA plan-3 H22 0.020
0MA plan-4 C13 0.020
0MA plan-4 C14 0.020
0MA plan-4 C18 0.020
0MA plan-4 C12 0.020
0MA plan-4 H12 0.020
0MA plan-5 C12 0.020
0MA plan-5 C13 0.020
0MA plan-5 C11 0.020
0MA plan-5 H12 0.020
# ------------------------------------------------------
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