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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
2MV 2MV '(1S,2S,3R,5Z,7E,14beta,17alpha)-17-[' non-polymer 79 33 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_2MV
#
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
2MV O3 O OH1 0.000 0.000 0.000 0.000
2MV HO3 H H 0.000 0.103 -0.716 0.642
2MV C3 C CH1 0.000 -1.384 0.159 -0.317
2MV H3 H H 0.000 -1.943 0.400 0.599
2MV C2 C CH1 0.000 -1.545 1.295 -1.323
2MV H2 H H 0.000 -1.081 1.009 -2.277
2MV C29 C CH3 0.000 -0.862 2.552 -0.780
2MV H29B H H 0.000 0.168 2.357 -0.627
2MV H29A H H 0.000 -0.970 3.343 -1.476
2MV H29 H H 0.000 -1.309 2.828 0.140
2MV C1 C CH1 0.000 -3.034 1.581 -1.544
2MV H1 H H 0.000 -3.152 2.371 -2.299
2MV O1 O OH1 0.000 -3.632 1.997 -0.315
2MV HO1 H H 0.000 -4.575 2.160 -0.455
2MV C10 C C 0.000 -3.698 0.307 -2.029
2MV C19 C C2 0.000 -4.532 0.306 -3.068
2MV H19A H H 0.000 -4.751 1.225 -3.590
2MV H19 H H 0.000 -4.992 -0.614 -3.395
2MV C4 C CH2 0.000 -1.923 -1.144 -0.915
2MV H4 H H 0.000 -1.850 -1.950 -0.181
2MV H4A H H 0.000 -1.349 -1.412 -1.804
2MV C5 C C 0.000 -3.375 -0.933 -1.293
2MV C6 C C1 0.000 -4.328 -1.830 -0.968
2MV H6 H H 0.000 -4.064 -2.726 -0.432
2MV C7 C C1 0.000 -5.722 -1.587 -1.345
2MV H7 H H 0.000 -5.987 -0.692 -1.882
2MV C8 C C 0.000 -6.664 -2.475 -1.025
2MV C9 C CH2 0.000 -6.352 -3.757 -0.268
2MV H9 H H 0.000 -5.319 -3.716 0.084
2MV H9A H H 0.000 -6.471 -4.605 -0.946
2MV C11 C CH2 0.000 -7.291 -3.923 0.926
2MV H11 H H 0.000 -7.008 -3.194 1.688
2MV H11A H H 0.000 -7.165 -4.932 1.323
2MV C12 C CH2 0.000 -8.761 -3.706 0.529
2MV H12A H H 0.000 -9.409 -3.804 1.402
2MV H12 H H 0.000 -9.061 -4.433 -0.229
2MV C14 C CH1 0.000 -8.112 -2.295 -1.387
2MV H14 H H 0.000 -8.459 -3.102 -2.048
2MV C13 C CT 0.000 -8.880 -2.309 -0.035
2MV C18 C CH3 0.000 -8.222 -1.318 0.927
2MV H18B H H 0.000 -7.218 -1.609 1.103
2MV H18A H H 0.000 -8.237 -0.348 0.501
2MV H18 H H 0.000 -8.752 -1.309 1.844
2MV C15 C CH2 0.000 -8.504 -0.923 -1.939
2MV H15 H H 0.000 -8.358 -0.846 -3.018
2MV H15A H H 0.000 -7.979 -0.104 -1.443
2MV C16 C CH2 0.000 -10.022 -0.842 -1.612
2MV H16 H H 0.000 -10.624 -1.166 -2.463
2MV H16A H H 0.000 -10.308 0.174 -1.331
2MV C17 C CH1 0.000 -10.261 -1.798 -0.414
2MV H17 H H 0.000 -10.908 -2.634 -0.715
2MV C20 C CT 0.000 -10.886 -1.038 0.758
2MV C22 C CH2 0.000 -12.305 -0.563 0.376
2MV H22A H H 0.000 -13.092 -1.190 0.799
2MV H22 H H 0.000 -12.449 -0.478 -0.703
2MV C21 C CH3 0.000 -10.956 -1.943 1.988
2MV H21B H H 0.000 -9.995 -2.340 2.191
2MV H21A H H 0.000 -11.289 -1.382 2.823
2MV H21 H H 0.000 -11.633 -2.737 1.806
2MV O20 O O2 0.000 -10.105 0.126 1.053
2MV C24 C CH2 0.000 -10.894 1.310 0.855
2MV H24 H H 0.000 -10.751 1.724 -0.146
2MV H24A H H 0.000 -10.665 2.074 1.600
2MV C23 C CH1 0.000 -12.364 0.849 1.020
2MV H23 H H 0.000 -12.642 0.788 2.081
2MV C25 C CH2 0.000 -13.319 1.766 0.253
2MV H25 H H 0.000 -14.301 1.293 0.185
2MV H25A H H 0.000 -12.929 1.938 -0.752
2MV C26 C CT 0.000 -13.444 3.102 0.988
2MV C28 C CH3 0.000 -14.492 3.971 0.290
2MV H28B H H 0.000 -15.428 3.475 0.300
2MV H28A H H 0.000 -14.580 4.897 0.799
2MV H28 H H 0.000 -14.197 4.147 -0.712
2MV C27 C CH3 0.000 -13.872 2.849 2.435
2MV H27B H H 0.000 -14.807 2.352 2.446
2MV H27A H H 0.000 -13.147 2.247 2.918
2MV H27 H H 0.000 -13.959 3.774 2.945
2MV O26 O OH1 0.000 -12.183 3.773 0.974
2MV HO26 H H 0.000 -12.263 4.618 1.438
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
2MV O3 n/a C3 START
2MV HO3 O3 . .
2MV C3 O3 C4 .
2MV H3 C3 . .
2MV C2 C3 C1 .
2MV H2 C2 . .
2MV C29 C2 H29 .
2MV H29B C29 . .
2MV H29A C29 . .
2MV H29 C29 . .
2MV C1 C2 C10 .
2MV H1 C1 . .
2MV O1 C1 HO1 .
2MV HO1 O1 . .
2MV C10 C1 C19 .
2MV C19 C10 H19 .
2MV H19A C19 . .
2MV H19 C19 . .
2MV C4 C3 C5 .
2MV H4 C4 . .
2MV H4A C4 . .
2MV C5 C4 C6 .
2MV C6 C5 C7 .
2MV H6 C6 . .
2MV C7 C6 C8 .
2MV H7 C7 . .
2MV C8 C7 C14 .
2MV C9 C8 C11 .
2MV H9 C9 . .
2MV H9A C9 . .
2MV C11 C9 C12 .
2MV H11 C11 . .
2MV H11A C11 . .
2MV C12 C11 H12 .
2MV H12A C12 . .
2MV H12 C12 . .
2MV C14 C8 C15 .
2MV H14 C14 . .
2MV C13 C14 C18 .
2MV C18 C13 H18 .
2MV H18B C18 . .
2MV H18A C18 . .
2MV H18 C18 . .
2MV C15 C14 C16 .
2MV H15 C15 . .
2MV H15A C15 . .
2MV C16 C15 C17 .
2MV H16 C16 . .
2MV H16A C16 . .
2MV C17 C16 C20 .
2MV H17 C17 . .
2MV C20 C17 O20 .
2MV C22 C20 H22 .
2MV H22A C22 . .
2MV H22 C22 . .
2MV C21 C20 H21 .
2MV H21B C21 . .
2MV H21A C21 . .
2MV H21 C21 . .
2MV O20 C20 C24 .
2MV C24 O20 C23 .
2MV H24 C24 . .
2MV H24A C24 . .
2MV C23 C24 C25 .
2MV H23 C23 . .
2MV C25 C23 C26 .
2MV H25 C25 . .
2MV H25A C25 . .
2MV C26 C25 O26 .
2MV C28 C26 H28 .
2MV H28B C28 . .
2MV H28A C28 . .
2MV H28 C28 . .
2MV C27 C26 H27 .
2MV H27B C27 . .
2MV H27A C27 . .
2MV H27 C27 . .
2MV O26 C26 HO26 .
2MV HO26 O26 . END
2MV C23 C22 . ADD
2MV C17 C13 . ADD
2MV C13 C12 . ADD
2MV C5 C10 . 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
2MV O26 C26 single 1.432 0.020
2MV C27 C26 single 1.524 0.020
2MV C28 C26 single 1.524 0.020
2MV C26 C25 single 1.524 0.020
2MV C25 C23 single 1.524 0.020
2MV C23 C22 single 1.524 0.020
2MV C23 C24 single 1.524 0.020
2MV C22 C20 single 1.524 0.020
2MV C24 O20 single 1.426 0.020
2MV O20 C20 single 1.426 0.020
2MV C21 C20 single 1.524 0.020
2MV C20 C17 single 1.524 0.020
2MV C17 C13 single 1.524 0.020
2MV C17 C16 single 1.524 0.020
2MV C18 C13 single 1.524 0.020
2MV C13 C12 single 1.524 0.020
2MV C13 C14 single 1.524 0.020
2MV C12 C11 single 1.524 0.020
2MV C11 C9 single 1.524 0.020
2MV C9 C8 single 1.510 0.020
2MV C16 C15 single 1.524 0.020
2MV C15 C14 single 1.524 0.020
2MV C14 C8 single 1.500 0.020
2MV C8 C7 double 1.340 0.020
2MV C7 C6 single 1.460 0.020
2MV C6 C5 double 1.340 0.020
2MV C5 C10 single 1.460 0.020
2MV C5 C4 single 1.510 0.020
2MV C19 C10 double 1.320 0.020
2MV C10 C1 single 1.500 0.020
2MV O1 C1 single 1.432 0.020
2MV C1 C2 single 1.524 0.020
2MV C4 C3 single 1.524 0.020
2MV C3 O3 single 1.432 0.020
2MV C2 C3 single 1.524 0.020
2MV C29 C2 single 1.524 0.020
2MV HO26 O26 single 0.967 0.020
2MV H27 C27 single 1.059 0.020
2MV H27A C27 single 1.059 0.020
2MV H27B C27 single 1.059 0.020
2MV H28 C28 single 1.059 0.020
2MV H28A C28 single 1.059 0.020
2MV H28B C28 single 1.059 0.020
2MV H25 C25 single 1.092 0.020
2MV H25A C25 single 1.092 0.020
2MV H23 C23 single 1.099 0.020
2MV H22 C22 single 1.092 0.020
2MV H22A C22 single 1.092 0.020
2MV H24 C24 single 1.092 0.020
2MV H24A C24 single 1.092 0.020
2MV H21 C21 single 1.059 0.020
2MV H21A C21 single 1.059 0.020
2MV H21B C21 single 1.059 0.020
2MV H17 C17 single 1.099 0.020
2MV H18 C18 single 1.059 0.020
2MV H18A C18 single 1.059 0.020
2MV H18B C18 single 1.059 0.020
2MV H12 C12 single 1.092 0.020
2MV H12A C12 single 1.092 0.020
2MV H11 C11 single 1.092 0.020
2MV H11A C11 single 1.092 0.020
2MV H9 C9 single 1.092 0.020
2MV H9A C9 single 1.092 0.020
2MV H16 C16 single 1.092 0.020
2MV H16A C16 single 1.092 0.020
2MV H15 C15 single 1.092 0.020
2MV H15A C15 single 1.092 0.020
2MV H14 C14 single 1.099 0.020
2MV H7 C7 single 1.077 0.020
2MV H6 C6 single 1.077 0.020
2MV H19 C19 single 1.077 0.020
2MV H19A C19 single 1.077 0.020
2MV H1 C1 single 1.099 0.020
2MV HO1 O1 single 0.967 0.020
2MV H4 C4 single 1.092 0.020
2MV H4A C4 single 1.092 0.020
2MV H3 C3 single 1.099 0.020
2MV HO3 O3 single 0.967 0.020
2MV H2 C2 single 1.099 0.020
2MV H29 C29 single 1.059 0.020
2MV H29A C29 single 1.059 0.020
2MV H29B 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
2MV HO3 O3 C3 109.470 3.000
2MV O3 C3 H3 109.470 3.000
2MV O3 C3 C2 109.470 3.000
2MV O3 C3 C4 109.470 3.000
2MV H3 C3 C2 108.340 3.000
2MV H3 C3 C4 108.340 3.000
2MV C2 C3 C4 111.000 3.000
2MV C3 C2 H2 108.340 3.000
2MV C3 C2 C29 111.000 3.000
2MV C3 C2 C1 111.000 3.000
2MV H2 C2 C29 108.340 3.000
2MV H2 C2 C1 108.340 3.000
2MV C29 C2 C1 111.000 3.000
2MV C2 C29 H29B 109.470 3.000
2MV C2 C29 H29A 109.470 3.000
2MV C2 C29 H29 109.470 3.000
2MV H29B C29 H29A 109.470 3.000
2MV H29B C29 H29 109.470 3.000
2MV H29A C29 H29 109.470 3.000
2MV C2 C1 H1 108.340 3.000
2MV C2 C1 O1 109.470 3.000
2MV C2 C1 C10 109.470 3.000
2MV H1 C1 O1 109.470 3.000
2MV H1 C1 C10 108.810 3.000
2MV O1 C1 C10 109.470 3.000
2MV C1 O1 HO1 109.470 3.000
2MV C1 C10 C19 120.000 3.000
2MV C1 C10 C5 120.000 3.000
2MV C19 C10 C5 120.000 3.000
2MV C10 C19 H19A 120.000 3.000
2MV C10 C19 H19 120.000 3.000
2MV H19A C19 H19 120.000 3.000
2MV C3 C4 H4 109.470 3.000
2MV C3 C4 H4A 109.470 3.000
2MV C3 C4 C5 109.470 3.000
2MV H4 C4 H4A 107.900 3.000
2MV H4 C4 C5 109.470 3.000
2MV H4A C4 C5 109.470 3.000
2MV C4 C5 C6 120.000 3.000
2MV C4 C5 C10 120.000 3.000
2MV C6 C5 C10 120.000 3.000
2MV C5 C6 H6 120.000 3.000
2MV C5 C6 C7 120.000 3.000
2MV H6 C6 C7 120.000 3.000
2MV C6 C7 H7 120.000 3.000
2MV C6 C7 C8 120.000 3.000
2MV H7 C7 C8 120.000 3.000
2MV C7 C8 C9 120.000 3.000
2MV C7 C8 C14 120.000 3.000
2MV C9 C8 C14 120.000 3.000
2MV C8 C9 H9 109.470 3.000
2MV C8 C9 H9A 109.470 3.000
2MV C8 C9 C11 109.470 3.000
2MV H9 C9 H9A 107.900 3.000
2MV H9 C9 C11 109.470 3.000
2MV H9A C9 C11 109.470 3.000
2MV C9 C11 H11 109.470 3.000
2MV C9 C11 H11A 109.470 3.000
2MV C9 C11 C12 111.000 3.000
2MV H11 C11 H11A 107.900 3.000
2MV H11 C11 C12 109.470 3.000
2MV H11A C11 C12 109.470 3.000
2MV C11 C12 H12A 109.470 3.000
2MV C11 C12 H12 109.470 3.000
2MV C11 C12 C13 111.000 3.000
2MV H12A C12 H12 107.900 3.000
2MV H12A C12 C13 109.470 3.000
2MV H12 C12 C13 109.470 3.000
2MV C8 C14 H14 108.810 3.000
2MV C8 C14 C13 109.470 3.000
2MV C8 C14 C15 109.470 3.000
2MV H14 C14 C13 108.340 3.000
2MV H14 C14 C15 108.340 3.000
2MV C13 C14 C15 111.000 3.000
2MV C14 C13 C18 111.000 3.000
2MV C14 C13 C17 111.000 3.000
2MV C14 C13 C12 111.000 3.000
2MV C17 C13 C12 111.000 3.000
2MV C18 C13 C17 111.000 3.000
2MV C18 C13 C12 111.000 3.000
2MV C13 C18 H18B 109.470 3.000
2MV C13 C18 H18A 109.470 3.000
2MV C13 C18 H18 109.470 3.000
2MV H18B C18 H18A 109.470 3.000
2MV H18B C18 H18 109.470 3.000
2MV H18A C18 H18 109.470 3.000
2MV C14 C15 H15 109.470 3.000
2MV C14 C15 H15A 109.470 3.000
2MV C14 C15 C16 111.000 3.000
2MV H15 C15 H15A 107.900 3.000
2MV H15 C15 C16 109.470 3.000
2MV H15A C15 C16 109.470 3.000
2MV C15 C16 H16 109.470 3.000
2MV C15 C16 H16A 109.470 3.000
2MV C15 C16 C17 111.000 3.000
2MV H16 C16 H16A 107.900 3.000
2MV H16 C16 C17 109.470 3.000
2MV H16A C16 C17 109.470 3.000
2MV C16 C17 H17 108.340 3.000
2MV C16 C17 C20 111.000 3.000
2MV C16 C17 C13 111.000 3.000
2MV H17 C17 C20 108.340 3.000
2MV H17 C17 C13 108.340 3.000
2MV C20 C17 C13 109.500 3.000
2MV C17 C20 C22 111.000 3.000
2MV C17 C20 C21 111.000 3.000
2MV C17 C20 O20 109.470 3.000
2MV C22 C20 C21 111.000 3.000
2MV C22 C20 O20 109.470 3.000
2MV C21 C20 O20 109.470 3.000
2MV C20 C22 H22A 109.470 3.000
2MV C20 C22 H22 109.470 3.000
2MV C20 C22 C23 111.000 3.000
2MV H22A C22 H22 107.900 3.000
2MV H22A C22 C23 109.470 3.000
2MV H22 C22 C23 109.470 3.000
2MV C20 C21 H21B 109.470 3.000
2MV C20 C21 H21A 109.470 3.000
2MV C20 C21 H21 109.470 3.000
2MV H21B C21 H21A 109.470 3.000
2MV H21B C21 H21 109.470 3.000
2MV H21A C21 H21 109.470 3.000
2MV C20 O20 C24 111.800 3.000
2MV O20 C24 H24 109.470 3.000
2MV O20 C24 H24A 109.470 3.000
2MV O20 C24 C23 109.470 3.000
2MV H24 C24 H24A 107.900 3.000
2MV H24 C24 C23 109.470 3.000
2MV H24A C24 C23 109.470 3.000
2MV C24 C23 H23 108.340 3.000
2MV C24 C23 C25 109.470 3.000
2MV C24 C23 C22 109.470 3.000
2MV H23 C23 C25 108.340 3.000
2MV H23 C23 C22 108.340 3.000
2MV C25 C23 C22 109.470 3.000
2MV C23 C25 H25 109.470 3.000
2MV C23 C25 H25A 109.470 3.000
2MV C23 C25 C26 111.000 3.000
2MV H25 C25 H25A 107.900 3.000
2MV H25 C25 C26 109.470 3.000
2MV H25A C25 C26 109.470 3.000
2MV C25 C26 C28 111.000 3.000
2MV C25 C26 C27 111.000 3.000
2MV C25 C26 O26 109.470 3.000
2MV C28 C26 C27 111.000 3.000
2MV C28 C26 O26 109.470 3.000
2MV C27 C26 O26 109.470 3.000
2MV C26 C28 H28B 109.470 3.000
2MV C26 C28 H28A 109.470 3.000
2MV C26 C28 H28 109.470 3.000
2MV H28B C28 H28A 109.470 3.000
2MV H28B C28 H28 109.470 3.000
2MV H28A C28 H28 109.470 3.000
2MV C26 C27 H27B 109.470 3.000
2MV C26 C27 H27A 109.470 3.000
2MV C26 C27 H27 109.470 3.000
2MV H27B C27 H27A 109.470 3.000
2MV H27B C27 H27 109.470 3.000
2MV H27A C27 H27 109.470 3.000
2MV C26 O26 HO26 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
2MV var_1 HO3 O3 C3 C4 -60.062 20.000 1
2MV var_2 O3 C3 C2 C1 180.000 20.000 3
2MV var_3 C3 C2 C29 H29 -60.025 20.000 3
2MV var_4 C3 C2 C1 C10 -60.000 20.000 3
2MV var_5 C2 C1 O1 HO1 -178.936 20.000 1
2MV var_6 C2 C1 C10 C19 -120.000 20.000 3
2MV CONST_1 C1 C10 C19 H19 -179.973 0.000 0
2MV var_7 O3 C3 C4 C5 180.000 20.000 3
2MV var_8 C3 C4 C5 C6 -120.000 20.000 3
2MV var_9 C4 C5 C10 C1 -30.000 20.000 1
2MV CONST_2 C4 C5 C6 C7 179.665 0.000 0
2MV var_10 C5 C6 C7 C8 179.969 20.000 1
2MV CONST_3 C6 C7 C8 C14 -179.572 0.000 0
2MV var_11 C7 C8 C9 C11 120.000 20.000 3
2MV var_12 C8 C9 C11 C12 60.000 20.000 3
2MV var_13 C9 C11 C12 C13 -60.000 20.000 3
2MV var_14 C7 C8 C14 C15 0.000 20.000 3
2MV var_15 C8 C14 C13 C18 60.000 20.000 1
2MV var_16 C14 C13 C12 C11 60.000 20.000 1
2MV var_17 C14 C13 C18 H18 178.895 20.000 1
2MV var_18 C8 C14 C15 C16 -150.000 20.000 3
2MV var_19 C14 C15 C16 C17 30.000 20.000 3
2MV var_20 C15 C16 C17 C20 120.000 20.000 3
2MV var_21 C16 C17 C13 C14 -30.000 20.000 1
2MV var_22 C16 C17 C20 O20 -51.964 20.000 1
2MV var_23 C17 C20 C22 C23 -150.000 20.000 1
2MV var_24 C17 C20 C21 H21 -66.223 20.000 1
2MV var_25 C17 C20 O20 C24 120.000 20.000 1
2MV var_26 C20 O20 C24 C23 30.000 20.000 1
2MV var_27 O20 C24 C23 C25 -150.000 20.000 3
2MV var_28 C24 C23 C22 C20 30.000 20.000 3
2MV var_29 C24 C23 C25 C26 -73.418 20.000 3
2MV var_30 C23 C25 C26 O26 65.007 20.000 1
2MV var_31 C25 C26 C28 H28 -59.999 20.000 1
2MV var_32 C25 C26 C27 H27 179.988 20.000 1
2MV var_33 C25 C26 O26 HO26 179.961 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
2MV chir_01 C26 O26 C27 C28 negativ
2MV chir_02 C23 C25 C22 C24 negativ
2MV chir_03 C20 C22 O20 C21 negativ
2MV chir_04 C17 C20 C13 C16 positiv
2MV chir_05 C13 C17 C18 C12 negativ
2MV chir_06 C14 C13 C15 C8 negativ
2MV chir_07 C1 C10 O1 C2 negativ
2MV chir_08 C3 C4 O3 C2 negativ
2MV chir_09 C2 C1 C3 C29 positiv
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
2MV plan-1 C8 0.020
2MV plan-1 C9 0.020
2MV plan-1 C14 0.020
2MV plan-1 C7 0.020
2MV plan-1 C6 0.020
2MV plan-1 H7 0.020
2MV plan-1 H6 0.020
2MV plan-2 C6 0.020
2MV plan-2 C7 0.020
2MV plan-2 C5 0.020
2MV plan-2 H6 0.020
2MV plan-2 C10 0.020
2MV plan-2 C4 0.020
2MV plan-2 H7 0.020
2MV plan-3 C10 0.020
2MV plan-3 C5 0.020
2MV plan-3 C19 0.020
2MV plan-3 C1 0.020
2MV plan-3 H19 0.020
2MV plan-3 H19A 0.020
# ------------------------------------------------------
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