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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
318 318 '"N'-[(1S,2S)-2-[(4S)-1-benzyl-5-oxoi' non-polymer 84 44 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_318
#
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
318 O4 O O 0.000 0.000 0.000 0.000
318 C28 C C 0.000 -0.384 -1.152 0.061
318 N4 N N 0.000 0.420 -2.104 0.575
318 C32 C CH2 0.000 0.012 -3.510 0.531
318 H32 H H 0.000 -1.074 -3.570 0.425
318 H32A H H 0.000 0.314 -4.005 1.455
318 C33 C CH2 0.000 0.680 -4.198 -0.661
318 H33 H H 0.000 1.761 -4.222 -0.508
318 H33A H H 0.000 0.455 -3.643 -1.574
318 C34 C CH3 0.000 0.150 -5.627 -0.787
318 H34B H H 0.000 -0.899 -5.607 -0.937
318 H34A H H 0.000 0.612 -6.107 -1.613
318 H34 H H 0.000 0.367 -6.168 0.098
318 C29 C CH2 0.000 1.704 -1.732 1.176
318 H29 H H 0.000 2.088 -0.835 0.686
318 H29A H H 0.000 2.416 -2.549 1.047
318 C30 C CH2 0.000 1.506 -1.456 2.668
318 H30 H H 0.000 1.120 -2.353 3.156
318 H30A H H 0.000 0.793 -0.639 2.795
318 C31 C CH3 0.000 2.846 -1.068 3.296
318 H31B H H 0.000 2.713 -0.876 4.330
318 H31A H H 0.000 3.540 -1.860 3.173
318 H31 H H 0.000 3.223 -0.196 2.824
318 C23 C CR6 0.000 -1.733 -1.508 -0.427
318 C22 C CR16 0.000 -2.831 -0.723 -0.083
318 H22 H H 0.000 -2.700 0.150 0.544
318 C24 C CR16 0.000 -1.910 -2.634 -1.235
318 H24 H H 0.000 -1.057 -3.245 -1.503
318 C25 C CR6 0.000 -3.169 -2.968 -1.693
318 C27 C CH3 0.000 -3.353 -4.184 -2.565
318 H27B H H 0.000 -4.171 -4.030 -3.219
318 H27A H H 0.000 -2.474 -4.348 -3.133
318 H27 H H 0.000 -3.542 -5.030 -1.956
318 C26 C CR16 0.000 -4.262 -2.198 -1.351
318 H26 H H 0.000 -5.248 -2.470 -1.706
318 C21 C CR6 0.000 -4.098 -1.066 -0.548
318 C7 C C 0.000 -5.269 -0.237 -0.187
318 O3 O O 0.000 -5.126 0.744 0.516
318 N1 N NH1 0.000 -6.494 -0.571 -0.638
318 HN1 H H 0.000 -6.613 -1.387 -1.222
318 C1 C CH1 0.000 -7.654 0.250 -0.281
318 H1 H H 0.000 -7.528 0.638 0.739
318 C6 C CH2 0.000 -7.773 1.419 -1.260
318 H6 H H 0.000 -8.687 1.979 -1.049
318 H6A H H 0.000 -7.810 1.036 -2.282
318 C15 C CR6 0.000 -6.580 2.326 -1.106
318 C20 C CR16 0.000 -6.624 3.380 -0.212
318 H20 H H 0.000 -7.518 3.556 0.373
318 C19 C CR6 0.000 -5.526 4.211 -0.064
318 C18 C CR16 0.000 -4.388 3.994 -0.823
318 H18 H H 0.000 -3.531 4.646 -0.712
318 C17 C CR6 0.000 -4.346 2.942 -1.721
318 C16 C CR16 0.000 -5.444 2.109 -1.863
318 H16 H H 0.000 -5.412 1.286 -2.566
318 F2 F F 0.000 -3.237 2.729 -2.461
318 F1 F F 0.000 -5.567 5.237 0.814
318 C2 C CH1 0.000 -8.922 -0.603 -0.349
318 H2 H H 0.000 -8.801 -1.491 0.287
318 O1 O OH1 0.000 -9.150 -1.011 -1.699
318 HO1 H H 0.000 -9.257 -0.229 -2.258
318 C3 C CH1 0.000 -10.117 0.219 0.143
318 H3 H H 0.000 -10.261 1.104 -0.492
318 C5 C C 0.000 -11.370 -0.630 0.159
318 O2 O O 0.000 -11.724 -1.387 -0.721
318 N3 N N 0.000 -12.025 -0.404 1.315
318 C4 C CH2 0.000 -11.288 0.582 2.114
318 H4 H H 0.000 -11.245 0.284 3.164
318 H4A H H 0.000 -11.744 1.572 2.036
318 N2 N NH1 0.000 -9.917 0.623 1.555
318 HN2 H H 0.000 -9.056 0.868 2.022
318 C8 C CH2 0.000 -13.282 -1.044 1.713
318 H8 H H 0.000 -13.319 -1.126 2.801
318 H8A H H 0.000 -13.337 -2.041 1.272
318 C9 C CR6 0.000 -14.443 -0.214 1.230
318 C14 C CR16 0.000 -14.967 0.778 2.038
318 H14 H H 0.000 -14.545 0.957 3.019
318 C13 C CR16 0.000 -16.031 1.541 1.593
318 H13 H H 0.000 -16.437 2.322 2.223
318 C12 C CR16 0.000 -16.575 1.307 0.344
318 H12 H H 0.000 -17.409 1.904 -0.004
318 C11 C CR16 0.000 -16.054 0.312 -0.461
318 H11 H H 0.000 -16.481 0.128 -1.440
318 C10 C CR16 0.000 -14.988 -0.449 -0.019
318 H10 H H 0.000 -14.580 -1.228 -0.650
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
318 O4 n/a C28 START
318 C28 O4 C23 .
318 N4 C28 C29 .
318 C32 N4 C33 .
318 H32 C32 . .
318 H32A C32 . .
318 C33 C32 C34 .
318 H33 C33 . .
318 H33A C33 . .
318 C34 C33 H34 .
318 H34B C34 . .
318 H34A C34 . .
318 H34 C34 . .
318 C29 N4 C30 .
318 H29 C29 . .
318 H29A C29 . .
318 C30 C29 C31 .
318 H30 C30 . .
318 H30A C30 . .
318 C31 C30 H31 .
318 H31B C31 . .
318 H31A C31 . .
318 H31 C31 . .
318 C23 C28 C24 .
318 C22 C23 H22 .
318 H22 C22 . .
318 C24 C23 C25 .
318 H24 C24 . .
318 C25 C24 C26 .
318 C27 C25 H27 .
318 H27B C27 . .
318 H27A C27 . .
318 H27 C27 . .
318 C26 C25 C21 .
318 H26 C26 . .
318 C21 C26 C7 .
318 C7 C21 N1 .
318 O3 C7 . .
318 N1 C7 C1 .
318 HN1 N1 . .
318 C1 N1 C2 .
318 H1 C1 . .
318 C6 C1 C15 .
318 H6 C6 . .
318 H6A C6 . .
318 C15 C6 C20 .
318 C20 C15 C19 .
318 H20 C20 . .
318 C19 C20 F1 .
318 C18 C19 C17 .
318 H18 C18 . .
318 C17 C18 F2 .
318 C16 C17 H16 .
318 H16 C16 . .
318 F2 C17 . .
318 F1 C19 . .
318 C2 C1 C3 .
318 H2 C2 . .
318 O1 C2 HO1 .
318 HO1 O1 . .
318 C3 C2 C5 .
318 H3 C3 . .
318 C5 C3 N3 .
318 O2 C5 . .
318 N3 C5 C8 .
318 C4 N3 N2 .
318 H4 C4 . .
318 H4A C4 . .
318 N2 C4 HN2 .
318 HN2 N2 . .
318 C8 N3 C9 .
318 H8 C8 . .
318 H8A C8 . .
318 C9 C8 C14 .
318 C14 C9 C13 .
318 H14 C14 . .
318 C13 C14 C12 .
318 H13 C13 . .
318 C12 C13 C11 .
318 H12 C12 . .
318 C11 C12 C10 .
318 H11 C11 . .
318 C10 C11 H10 .
318 H10 C10 . END
318 C3 N2 . ADD
318 C9 C10 . ADD
318 C15 C16 . ADD
318 C21 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
318 F1 C19 single 1.345 0.020
318 F2 C17 single 1.345 0.020
318 C1 N1 single 1.450 0.020
318 N1 C7 single 1.330 0.020
318 C2 C1 single 1.524 0.020
318 C6 C1 single 1.524 0.020
318 O1 C2 single 1.432 0.020
318 C3 C2 single 1.524 0.020
318 C3 N2 single 1.450 0.020
318 C5 C3 single 1.500 0.020
318 N2 C4 single 1.450 0.020
318 C4 N3 single 1.455 0.020
318 N3 C5 single 1.330 0.020
318 C8 N3 single 1.455 0.020
318 O2 C5 double 1.220 0.020
318 C15 C6 single 1.511 0.020
318 O3 C7 double 1.220 0.020
318 C7 C21 single 1.500 0.020
318 C9 C8 single 1.511 0.020
318 C9 C10 double 1.390 0.020
318 C14 C9 single 1.390 0.020
318 C10 C11 single 1.390 0.020
318 C11 C12 double 1.390 0.020
318 C12 C13 single 1.390 0.020
318 C13 C14 double 1.390 0.020
318 C15 C16 double 1.390 0.020
318 C20 C15 single 1.390 0.020
318 C16 C17 single 1.390 0.020
318 C17 C18 double 1.390 0.020
318 C18 C19 single 1.390 0.020
318 C19 C20 double 1.390 0.020
318 C21 C22 double 1.390 0.020
318 C21 C26 single 1.390 0.020
318 C22 C23 single 1.390 0.020
318 C24 C23 double 1.390 0.020
318 C23 C28 single 1.500 0.020
318 C25 C24 single 1.390 0.020
318 C26 C25 double 1.390 0.020
318 C27 C25 single 1.506 0.020
318 C28 O4 double 1.220 0.020
318 N4 C28 single 1.330 0.020
318 C29 N4 single 1.455 0.020
318 C32 N4 single 1.455 0.020
318 C30 C29 single 1.524 0.020
318 C31 C30 single 1.513 0.020
318 C33 C32 single 1.524 0.020
318 C34 C33 single 1.513 0.020
318 HN1 N1 single 1.010 0.020
318 H1 C1 single 1.099 0.020
318 H2 C2 single 1.099 0.020
318 HO1 O1 single 0.967 0.020
318 H3 C3 single 1.099 0.020
318 HN2 N2 single 1.010 0.020
318 H4 C4 single 1.092 0.020
318 H4A C4 single 1.092 0.020
318 H6 C6 single 1.092 0.020
318 H6A C6 single 1.092 0.020
318 H8 C8 single 1.092 0.020
318 H8A C8 single 1.092 0.020
318 H10 C10 single 1.083 0.020
318 H11 C11 single 1.083 0.020
318 H12 C12 single 1.083 0.020
318 H13 C13 single 1.083 0.020
318 H14 C14 single 1.083 0.020
318 H16 C16 single 1.083 0.020
318 H18 C18 single 1.083 0.020
318 H20 C20 single 1.083 0.020
318 H22 C22 single 1.083 0.020
318 H24 C24 single 1.083 0.020
318 H26 C26 single 1.083 0.020
318 H27 C27 single 1.059 0.020
318 H27A C27 single 1.059 0.020
318 H27B C27 single 1.059 0.020
318 H29 C29 single 1.092 0.020
318 H29A C29 single 1.092 0.020
318 H30 C30 single 1.092 0.020
318 H30A C30 single 1.092 0.020
318 H31 C31 single 1.059 0.020
318 H31A C31 single 1.059 0.020
318 H31B C31 single 1.059 0.020
318 H32 C32 single 1.092 0.020
318 H32A C32 single 1.092 0.020
318 H33 C33 single 1.092 0.020
318 H33A C33 single 1.092 0.020
318 H34 C34 single 1.059 0.020
318 H34A C34 single 1.059 0.020
318 H34B C34 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
318 O4 C28 N4 123.000 3.000
318 O4 C28 C23 120.500 3.000
318 N4 C28 C23 120.000 3.000
318 C28 N4 C32 127.000 3.000
318 C28 N4 C29 127.000 3.000
318 C32 N4 C29 120.000 3.000
318 N4 C32 H32 109.470 3.000
318 N4 C32 H32A 109.470 3.000
318 N4 C32 C33 105.000 3.000
318 H32 C32 H32A 107.900 3.000
318 H32 C32 C33 109.470 3.000
318 H32A C32 C33 109.470 3.000
318 C32 C33 H33 109.470 3.000
318 C32 C33 H33A 109.470 3.000
318 C32 C33 C34 111.000 3.000
318 H33 C33 H33A 107.900 3.000
318 H33 C33 C34 109.470 3.000
318 H33A C33 C34 109.470 3.000
318 C33 C34 H34B 109.470 3.000
318 C33 C34 H34A 109.470 3.000
318 C33 C34 H34 109.470 3.000
318 H34B C34 H34A 109.470 3.000
318 H34B C34 H34 109.470 3.000
318 H34A C34 H34 109.470 3.000
318 N4 C29 H29 109.470 3.000
318 N4 C29 H29A 109.470 3.000
318 N4 C29 C30 105.000 3.000
318 H29 C29 H29A 107.900 3.000
318 H29 C29 C30 109.470 3.000
318 H29A C29 C30 109.470 3.000
318 C29 C30 H30 109.470 3.000
318 C29 C30 H30A 109.470 3.000
318 C29 C30 C31 111.000 3.000
318 H30 C30 H30A 107.900 3.000
318 H30 C30 C31 109.470 3.000
318 H30A C30 C31 109.470 3.000
318 C30 C31 H31B 109.470 3.000
318 C30 C31 H31A 109.470 3.000
318 C30 C31 H31 109.470 3.000
318 H31B C31 H31A 109.470 3.000
318 H31B C31 H31 109.470 3.000
318 H31A C31 H31 109.470 3.000
318 C28 C23 C22 120.000 3.000
318 C28 C23 C24 120.000 3.000
318 C22 C23 C24 120.000 3.000
318 C23 C22 H22 120.000 3.000
318 C23 C22 C21 120.000 3.000
318 H22 C22 C21 120.000 3.000
318 C23 C24 H24 120.000 3.000
318 C23 C24 C25 120.000 3.000
318 H24 C24 C25 120.000 3.000
318 C24 C25 C27 120.000 3.000
318 C24 C25 C26 120.000 3.000
318 C27 C25 C26 120.000 3.000
318 C25 C27 H27B 109.470 3.000
318 C25 C27 H27A 109.470 3.000
318 C25 C27 H27 109.470 3.000
318 H27B C27 H27A 109.470 3.000
318 H27B C27 H27 109.470 3.000
318 H27A C27 H27 109.470 3.000
318 C25 C26 H26 120.000 3.000
318 C25 C26 C21 120.000 3.000
318 H26 C26 C21 120.000 3.000
318 C26 C21 C7 120.000 3.000
318 C26 C21 C22 120.000 3.000
318 C7 C21 C22 120.000 3.000
318 C21 C7 O3 120.500 3.000
318 C21 C7 N1 120.000 3.000
318 O3 C7 N1 123.000 3.000
318 C7 N1 HN1 120.000 3.000
318 C7 N1 C1 121.500 3.000
318 HN1 N1 C1 118.500 3.000
318 N1 C1 H1 108.550 3.000
318 N1 C1 C6 110.000 3.000
318 N1 C1 C2 110.000 3.000
318 H1 C1 C6 108.340 3.000
318 H1 C1 C2 108.340 3.000
318 C6 C1 C2 111.000 3.000
318 C1 C6 H6 109.470 3.000
318 C1 C6 H6A 109.470 3.000
318 C1 C6 C15 109.470 3.000
318 H6 C6 H6A 107.900 3.000
318 H6 C6 C15 109.470 3.000
318 H6A C6 C15 109.470 3.000
318 C6 C15 C20 120.000 3.000
318 C6 C15 C16 120.000 3.000
318 C20 C15 C16 120.000 3.000
318 C15 C20 H20 120.000 3.000
318 C15 C20 C19 120.000 3.000
318 H20 C20 C19 120.000 3.000
318 C20 C19 C18 120.000 3.000
318 C20 C19 F1 120.000 3.000
318 C18 C19 F1 120.000 3.000
318 C19 C18 H18 120.000 3.000
318 C19 C18 C17 120.000 3.000
318 H18 C18 C17 120.000 3.000
318 C18 C17 C16 120.000 3.000
318 C18 C17 F2 120.000 3.000
318 C16 C17 F2 120.000 3.000
318 C17 C16 H16 120.000 3.000
318 C17 C16 C15 120.000 3.000
318 H16 C16 C15 120.000 3.000
318 C1 C2 H2 108.340 3.000
318 C1 C2 O1 109.470 3.000
318 C1 C2 C3 111.000 3.000
318 H2 C2 O1 109.470 3.000
318 H2 C2 C3 108.340 3.000
318 O1 C2 C3 109.470 3.000
318 C2 O1 HO1 109.470 3.000
318 C2 C3 H3 108.340 3.000
318 C2 C3 C5 109.470 3.000
318 C2 C3 N2 110.000 3.000
318 H3 C3 C5 108.810 3.000
318 H3 C3 N2 108.550 3.000
318 C5 C3 N2 111.600 3.000
318 C3 C5 O2 120.500 3.000
318 C3 C5 N3 116.500 3.000
318 O2 C5 N3 123.000 3.000
318 C5 N3 C4 127.000 3.000
318 C5 N3 C8 127.000 3.000
318 C4 N3 C8 120.000 3.000
318 N3 C4 H4 109.470 3.000
318 N3 C4 H4A 109.470 3.000
318 N3 C4 N2 109.500 3.000
318 H4 C4 H4A 107.900 3.000
318 H4 C4 N2 109.470 3.000
318 H4A C4 N2 109.470 3.000
318 C4 N2 HN2 118.500 3.000
318 C4 N2 C3 120.000 3.000
318 HN2 N2 C3 118.500 3.000
318 N3 C8 H8 109.470 3.000
318 N3 C8 H8A 109.470 3.000
318 N3 C8 C9 109.470 3.000
318 H8 C8 H8A 107.900 3.000
318 H8 C8 C9 109.470 3.000
318 H8A C8 C9 109.470 3.000
318 C8 C9 C14 120.000 3.000
318 C8 C9 C10 120.000 3.000
318 C14 C9 C10 120.000 3.000
318 C9 C14 H14 120.000 3.000
318 C9 C14 C13 120.000 3.000
318 H14 C14 C13 120.000 3.000
318 C14 C13 H13 120.000 3.000
318 C14 C13 C12 120.000 3.000
318 H13 C13 C12 120.000 3.000
318 C13 C12 H12 120.000 3.000
318 C13 C12 C11 120.000 3.000
318 H12 C12 C11 120.000 3.000
318 C12 C11 H11 120.000 3.000
318 C12 C11 C10 120.000 3.000
318 H11 C11 C10 120.000 3.000
318 C11 C10 H10 120.000 3.000
318 C11 C10 C9 120.000 3.000
318 H10 C10 C9 120.000 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
318 CONST_1 O4 C28 N4 C29 0.000 0.000 0
318 var_1 C28 N4 C32 C33 98.091 20.000 1
318 var_2 N4 C32 C33 C34 -174.579 20.000 3
318 var_3 C32 C33 C34 H34 -59.993 20.000 3
318 var_4 C28 N4 C29 C30 90.052 20.000 1
318 var_5 N4 C29 C30 C31 179.979 20.000 3
318 var_6 C29 C30 C31 H31 60.022 20.000 3
318 var_7 O4 C28 C23 C24 134.327 20.000 1
318 CONST_2 C28 C23 C22 C21 180.000 0.000 0
318 CONST_3 C28 C23 C24 C25 180.000 0.000 0
318 CONST_4 C23 C24 C25 C26 0.000 0.000 0
318 var_8 C24 C25 C27 H27 89.990 20.000 1
318 CONST_5 C24 C25 C26 C21 0.000 0.000 0
318 CONST_6 C25 C26 C21 C7 180.000 0.000 0
318 CONST_7 C26 C21 C22 C23 0.000 0.000 0
318 var_9 C26 C21 C7 N1 -0.227 20.000 1
318 CONST_8 C21 C7 N1 C1 180.000 0.000 0
318 var_10 C7 N1 C1 C2 -155.015 20.000 3
318 var_11 N1 C1 C6 C15 -65.001 20.000 3
318 var_12 C1 C6 C15 C20 -90.356 20.000 2
318 CONST_9 C6 C15 C16 C17 180.000 0.000 0
318 CONST_10 C6 C15 C20 C19 180.000 0.000 0
318 CONST_11 C15 C20 C19 F1 180.000 0.000 0
318 CONST_12 C20 C19 C18 C17 0.000 0.000 0
318 CONST_13 C19 C18 C17 F2 180.000 0.000 0
318 CONST_14 C18 C17 C16 C15 0.000 0.000 0
318 var_13 N1 C1 C2 C3 175.007 20.000 3
318 var_14 C1 C2 O1 HO1 -60.024 20.000 1
318 var_15 C1 C2 C3 C5 -176.802 20.000 3
318 var_16 C2 C3 N2 C4 -150.000 20.000 3
318 var_17 C2 C3 C5 N3 150.000 20.000 3
318 CONST_15 C3 C5 N3 C8 180.000 0.000 0
318 var_18 C5 N3 C4 N2 -30.000 20.000 1
318 var_19 N3 C4 N2 C3 30.000 20.000 3
318 var_20 C5 N3 C8 C9 -90.014 20.000 1
318 var_21 N3 C8 C9 C14 -90.257 20.000 2
318 CONST_16 C8 C9 C10 C11 180.000 0.000 0
318 CONST_17 C8 C9 C14 C13 180.000 0.000 0
318 CONST_18 C9 C14 C13 C12 0.000 0.000 0
318 CONST_19 C14 C13 C12 C11 0.000 0.000 0
318 CONST_20 C13 C12 C11 C10 0.000 0.000 0
318 CONST_21 C12 C11 C10 C9 0.000 0.000 0
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
318 chir_01 C1 N1 C2 C6 positiv
318 chir_02 C2 C1 O1 C3 positiv
318 chir_03 C3 C2 N2 C5 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
318 plan-1 N1 0.020
318 plan-1 C1 0.020
318 plan-1 C7 0.020
318 plan-1 HN1 0.020
318 plan-2 N2 0.020
318 plan-2 C3 0.020
318 plan-2 C4 0.020
318 plan-2 HN2 0.020
318 plan-3 N3 0.020
318 plan-3 C4 0.020
318 plan-3 C5 0.020
318 plan-3 C8 0.020
318 plan-4 C5 0.020
318 plan-4 C3 0.020
318 plan-4 N3 0.020
318 plan-4 O2 0.020
318 plan-5 C7 0.020
318 plan-5 N1 0.020
318 plan-5 O3 0.020
318 plan-5 C21 0.020
318 plan-5 HN1 0.020
318 plan-6 C9 0.020
318 plan-6 C8 0.020
318 plan-6 C10 0.020
318 plan-6 C14 0.020
318 plan-6 C11 0.020
318 plan-6 C12 0.020
318 plan-6 C13 0.020
318 plan-6 H10 0.020
318 plan-6 H11 0.020
318 plan-6 H12 0.020
318 plan-6 H13 0.020
318 plan-6 H14 0.020
318 plan-7 C15 0.020
318 plan-7 C6 0.020
318 plan-7 C16 0.020
318 plan-7 C20 0.020
318 plan-7 C17 0.020
318 plan-7 C18 0.020
318 plan-7 C19 0.020
318 plan-7 H16 0.020
318 plan-7 F2 0.020
318 plan-7 H18 0.020
318 plan-7 F1 0.020
318 plan-7 H20 0.020
318 plan-8 C21 0.020
318 plan-8 C7 0.020
318 plan-8 C22 0.020
318 plan-8 C26 0.020
318 plan-8 C23 0.020
318 plan-8 C24 0.020
318 plan-8 C25 0.020
318 plan-8 H22 0.020
318 plan-8 C28 0.020
318 plan-8 H24 0.020
318 plan-8 C27 0.020
318 plan-8 H26 0.020
318 plan-9 C28 0.020
318 plan-9 C23 0.020
318 plan-9 O4 0.020
318 plan-9 N4 0.020
318 plan-10 N4 0.020
318 plan-10 C28 0.020
318 plan-10 C29 0.020
318 plan-10 C32 0.020
# ------------------------------------------------------
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