# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Mon Jun  1 03:08:24 2020
#   Inital geometry file: a 180 line input string
#   Ligand name: N,beta,beta-trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](\C=C(C)/C(O)=O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1
#
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
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 4SL  4SL  N,beta,beta-trimethyl-L-phenylalanyl-N-[(3S,4Z)-5-carboxy-2-methylhex-4-en-3-yl]-N,3-dimethyl-L-valinamide  peptide  76  34  .  2022-07-23  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND (side chain)
;

data_comp_4SL
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 4SL  C4   C  CR16   0  -0.312   5.2207   2.4083  -0.6899
 4SL  C5   C  CR6    0   0.190   4.5963   1.3013  -0.1070
 4SL  C6   C  CR16   0  -0.335   4.9734   0.9763   1.1967
 4SL  C7   C  CT     0  -0.192   3.5096   0.5545  -0.8960
 4SL  C8   C  CH1    0  -0.180   3.1486  -0.7804  -0.1909
 4SL  C9   C  C      0   0.563   1.8750  -1.4057  -0.7700
 4SL  C3   C  CR16   0  -0.239   6.1809   3.1456  -0.0144
 4SL  O19  O  O      0  -0.480   1.8488  -1.9751  -1.8499
 4SL  N17  N  NH1    0  -0.595   4.2231  -1.7394  -0.2772
 4SL  C18  C  CH3    0  -0.537   4.1246  -2.7974   0.7060
 4SL  C15  C  CH3    0  -0.649   2.2722   1.4651  -0.9432
 4SL  C16  C  CH3    0  -0.641   3.9899   0.2915  -2.3311
 4SL  C2   C  CR16   0  -0.276   6.5508   2.7974   1.2778
 4SL  C1   C  CR16   0  -0.239   5.9382   1.7099   1.8786
 4SL  N10  N  NH1    0  -0.628   0.7993  -1.2725   0.0245
 4SL  C11  C  CH1    0  -0.167  -0.5536  -1.5933  -0.3688
 4SL  C20  C  CT     0  -0.079  -1.0893  -2.8869   0.3137
 4SL  C22  C  CH3    0  -0.668  -2.5020  -3.1886  -0.1901
 4SL  C23  C  CH3    0  -0.649  -0.1675  -4.0429  -0.0812
 4SL  C21  C  CH3    0  -0.657  -1.1259  -2.7777   1.8384
 4SL  C12  C  C      0   0.597  -1.3960  -0.3597  -0.0321
 4SL  O24  O  O      0  -0.507  -1.2065   0.1820   1.0528
 4SL  C14  C  CH1    0  -0.146  -3.2613   1.1192  -0.4965
 4SL  O30  O  O      0  -0.591  -4.7751  -1.2973   2.1256
 4SL  C29  C  C      0   0.362  -4.9005  -0.1240   1.7248
 4SL  O31  O  OC    -1  -0.604  -4.7084   0.9194   2.3787
 4SL  C28  C  CH3    0  -0.716  -6.7374  -0.5587   0.0119
 4SL  C26  C  C1     0  -0.231  -4.6586   0.5914  -0.6710
 4SL  C32  C  CH1    0  -0.239  -3.0409   2.4579  -1.2173
 4SL  C34  C  CH3    0  -0.643  -3.9663   3.5098  -0.6124
 4SL  C33  C  CH3    0  -0.654  -1.5861   2.9061  -1.1350
 4SL  N13  N  NT     0  -0.450  -2.2995   0.0903  -0.9211
 4SL  C25  C  CH3    0  -0.554  -2.4768  -0.4391  -2.2592
 4SL  H1   H  HCR6   0   0.248   4.9551   2.7160  -1.6928
 4SL  H3   H  HCR6   0   0.251   4.5217   0.1449   1.7214
 4SL  H5   H  HCH1   0   0.225   2.9157  -0.5322   0.8592
 4SL  H6   H  HCR6   0   0.253   6.6398   3.9959  -0.5027
 4SL  H32  H  HNH1   0   0.360   5.1130  -1.2701  -0.1755
 4SL  H34  H  HCH3   0   0.231   3.2677  -3.4416   0.4967
 4SL  H35  H  HCH3   0   0.242   5.0152  -3.4225   0.6609
 4SL  H36  H  HCH3   0   0.199   4.0148  -2.4352   1.7382
 4SL  H37  H  HCH3   0   0.235   1.4819   1.0441  -1.5673
 4SL  H38  H  HCH3   0   0.235   1.8591   1.6457   0.0508
 4SL  H39  H  HCH3   0   0.243   2.5333   2.4340  -1.3698
 4SL  H40  H  HCH3   0   0.227   4.1881   1.2253  -2.8551
 4SL  H41  H  HCH3   0   0.231   4.9038  -0.3010  -2.3532
 4SL  H42  H  HCH3   0   0.246   3.2318  -0.2412  -2.9003
 4SL  H43  H  HCR6   0   0.254   7.3022   3.3674   1.8084
 4SL  H44  H  HCR6   0   0.255   6.2062   1.4227   2.8872
 4SL  H31  H  HNH1   0   0.394   0.8976  -0.7619   0.8887
 4SL  H4   H  HCH1   0   0.261  -0.5345  -1.7924  -1.4385
 4SL  H22  H  HCH3   0   0.218  -2.5281  -3.3034  -1.2761
 4SL  H23  H  HCH3   0   0.230  -2.8527  -4.1280   0.2417
 4SL  H24  H  HCH3   0   0.259  -3.2180  -2.4173   0.1001
 4SL  H25  H  HCH3   0   0.224  -0.1092  -4.1611  -1.1645
 4SL  H26  H  HCH3   0   0.232   0.8467  -3.9027   0.2953
 4SL  H27  H  HCH3   0   0.229  -0.5438  -4.9779   0.3382
 4SL  H28  H  HCH3   0   0.220  -1.3767  -3.7535   2.2608
 4SL  H29  H  HCH3   0   0.218  -0.1606  -2.4862   2.2570
 4SL  H30  H  HCH3   0   0.244  -1.8826  -2.0722   2.1785
 4SL  H2   H  HCH1   0   0.268  -3.0769   1.2877   0.5613
 4SL  H8   H  HCH3   0   0.229  -7.5043  -0.1109   0.6493
 4SL  H9   H  HCH3   0   0.228  -7.0373  -0.4123  -1.0264
 4SL  H10  H  HCH3   0   0.235  -6.7445  -1.6298   0.2210
 4SL  H11  H  H      0   0.219  -5.0686   0.6344  -1.6793
 4SL  H12  H  HCH1   0   0.210  -3.3089   2.3456  -2.2753
 4SL  H13  H  HCH3   0   0.214  -3.7720   3.6285   0.4564
 4SL  H14  H  HCH3   0   0.224  -3.8180   4.4797  -1.0895
 4SL  H15  H  HCH3   0   0.230  -5.0166   3.2413  -0.7271
 4SL  H16  H  HCH3   0   0.228  -0.9139   2.2120  -1.6405
 4SL  H17  H  HCH3   0   0.226  -1.4555   3.8845  -1.6001
 4SL  H18  H  HCH3   0   0.215  -1.2580   2.9833  -0.0962
 4SL  H19  H  HCH3   0   0.250  -3.1632  -1.2856  -2.2874
 4SL  H20  H  HCH3   0   0.261  -2.8863   0.3414  -2.8974
 4SL  H21  H  HCH3   0   0.257  -1.5323  -0.7379  -2.7055
 4SL  C27  C  C      0  -0.014  -5.3848   0.0249   0.2923

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
_chem_comp_bond.value_dist_neutron
 4SL  C21  C20  single    1.529  0.020  1.529
 4SL  C23  C20  single    1.530  0.020  1.530
 4SL  O30  C29  deloc     1.246  0.020  1.246
 4SL  C20  C22  single    1.530  0.020  1.530
 4SL  C20  C11  single    1.558  0.020  1.558
 4SL  C29  O31  deloc     1.246  0.020  1.246
 4SL  C29  C27  single    1.519  0.020  1.519
 4SL  C28  C27  single    1.500  0.020  1.500
 4SL  C11  C12  single    1.531  0.020  1.531
 4SL  C11  N10  single    1.445  0.020  1.445
 4SL  C27  C26  double    1.333  0.020  1.333
 4SL  C25  N13  single    1.450  0.020  1.450
 4SL  C12  N13  single    1.345  0.020  1.345
 4SL  C12  O24  double    1.227  0.020  1.227
 4SL  C18  N17  single    1.448  0.020  1.448
 4SL  N10  C9   single    1.344  0.020  1.344
 4SL  N13  C14  single    1.471  0.020  1.471
 4SL  C26  C14  single    1.504  0.020  1.504
 4SL  O19  C9   double    1.221  0.020  1.221
 4SL  C9   C8   single    1.532  0.020  1.532
 4SL  C14  C32  single    1.536  0.020  1.536
 4SL  N17  C8   single    1.443  0.020  1.443
 4SL  C8   C7   single    1.552  0.020  1.552
 4SL  C32  C34  single    1.526  0.020  1.526
 4SL  C32  C33  single    1.525  0.020  1.525
 4SL  C7   C15  single    1.537  0.020  1.537
 4SL  C7   C16  single    1.536  0.020  1.536
 4SL  C7   C5   single    1.537  0.020  1.537
 4SL  C4   C5   aromatic  1.398  0.020  1.398
 4SL  C4   C3   aromatic  1.386  0.020  1.386
 4SL  C5   C6   aromatic  1.395  0.020  1.395
 4SL  C3   C2   aromatic  1.389  0.020  1.389
 4SL  C6   C1   aromatic  1.391  0.020  1.391
 4SL  C2   C1   aromatic  1.385  0.020  1.385
 4SL  C4   H1   single    0.930  0.020  1.080
 4SL  C14  H2   single    0.970  0.020  1.090
 4SL  C6   H3   single    0.930  0.020  1.080
 4SL  C11  H4   single    0.970  0.020  1.090
 4SL  C8   H5   single    0.970  0.020  1.090
 4SL  C3   H6   single    0.930  0.020  1.080
 4SL  C28  H8   single    0.970  0.020  1.090
 4SL  C28  H9   single    0.970  0.020  1.090
 4SL  C28  H10  single    0.970  0.020  1.090
 4SL  C26  H11  single    0.930  0.020  1.080
 4SL  C32  H12  single    0.970  0.020  1.090
 4SL  C34  H13  single    0.970  0.020  1.090
 4SL  C34  H14  single    0.970  0.020  1.090
 4SL  C34  H15  single    0.970  0.020  1.090
 4SL  C33  H16  single    0.970  0.020  1.090
 4SL  C33  H17  single    0.970  0.020  1.090
 4SL  C33  H18  single    0.970  0.020  1.090
 4SL  C25  H19  single    0.970  0.020  1.090
 4SL  C25  H20  single    0.970  0.020  1.090
 4SL  C25  H21  single    0.970  0.020  1.090
 4SL  C22  H22  single    0.970  0.020  1.090
 4SL  C22  H23  single    0.970  0.020  1.090
 4SL  C22  H24  single    0.970  0.020  1.090
 4SL  C23  H25  single    0.970  0.020  1.090
 4SL  C23  H26  single    0.970  0.020  1.090
 4SL  C23  H27  single    0.970  0.020  1.090
 4SL  C21  H28  single    0.970  0.020  1.090
 4SL  C21  H29  single    0.970  0.020  1.090
 4SL  C21  H30  single    0.970  0.020  1.090
 4SL  N10  H31  single    0.860  0.020  1.020
 4SL  N17  H32  single    0.890  0.020  1.040
 4SL  C18  H34  single    0.970  0.020  1.090
 4SL  C18  H35  single    0.970  0.020  1.090
 4SL  C18  H36  single    0.970  0.020  1.090
 4SL  C15  H37  single    0.970  0.020  1.090
 4SL  C15  H38  single    0.970  0.020  1.090
 4SL  C15  H39  single    0.970  0.020  1.090
 4SL  C16  H40  single    0.970  0.020  1.090
 4SL  C16  H41  single    0.970  0.020  1.090
 4SL  C16  H42  single    0.970  0.020  1.090
 4SL  C2   H43  single    0.930  0.020  1.080
 4SL  C1   H44  single    0.930  0.020  1.080

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
 4SL  H1   C4   C3   118.05  3.000
 4SL  H1   C4   C5   120.13  3.000
 4SL  C3   C4   C5   121.82  3.000
 4SL  C7   C5   C6   123.89  3.000
 4SL  C6   C5   C4   116.95  3.000
 4SL  C7   C5   C4   119.11  3.000
 4SL  H3   C6   C1   117.21  3.000
 4SL  H3   C6   C5   121.28  3.000
 4SL  C1   C6   C5   121.51  3.000
 4SL  C16  C7   C15  108.93  3.000
 4SL  C16  C7   C8   110.48  3.000
 4SL  C15  C7   C8   109.65  3.000
 4SL  C16  C7   C5   109.99  3.000
 4SL  C15  C7   C5   107.29  3.000
 4SL  C8   C7   C5   110.44  3.000
 4SL  H5   C8   N17  111.31  3.000
 4SL  H5   C8   C9   106.02  3.000
 4SL  N17  C8   C9   108.97  3.000
 4SL  H5   C8   C7   106.72  3.000
 4SL  N17  C8   C7   111.79  3.000
 4SL  C9   C8   C7   111.87  3.000
 4SL  N10  C9   O19  123.50  3.000
 4SL  O19  C9   C8   122.84  3.000
 4SL  N10  C9   C8   113.66  3.000
 4SL  H6   C3   C2   120.25  3.000
 4SL  H6   C3   C4   119.45  3.000
 4SL  C2   C3   C4   120.31  3.000
 4SL  H32  N17  C18  109.31  3.000
 4SL  H32  N17  C8   109.93  3.000
 4SL  C18  N17  C8   113.23  3.000
 4SL  H36  C18  H35  108.04  3.000
 4SL  H36  C18  H34  107.20  3.000
 4SL  H35  C18  H34  107.17  3.000
 4SL  H36  C18  N17  113.81  3.000
 4SL  H35  C18  N17  109.62  3.000
 4SL  H34  C18  N17  110.75  3.000
 4SL  H39  C15  H38  107.46  3.000
 4SL  H39  C15  H37  107.00  3.000
 4SL  H38  C15  H37  108.08  3.000
 4SL  H39  C15  C7   110.22  3.000
 4SL  H38  C15  C7   112.00  3.000
 4SL  H37  C15  C7   111.84  3.000
 4SL  H42  C16  H41  107.93  3.000
 4SL  H42  C16  H40  107.16  3.000
 4SL  H41  C16  H40  107.69  3.000
 4SL  H42  C16  C7   110.79  3.000
 4SL  H41  C16  C7   111.99  3.000
 4SL  H40  C16  C7   111.08  3.000
 4SL  H43  C2   C1   120.53  3.000
 4SL  H43  C2   C3   120.61  3.000
 4SL  C1   C2   C3   118.86  3.000
 4SL  H44  C1   C2   120.19  3.000
 4SL  H44  C1   C6   119.25  3.000
 4SL  C2   C1   C6   120.55  3.000
 4SL  H31  N10  C11  115.91  3.000
 4SL  H31  N10  C9   118.60  3.000
 4SL  C11  N10  C9   124.50  3.000
 4SL  H4   C11  C12  111.91  3.000
 4SL  H4   C11  C20  106.55  3.000
 4SL  C12  C11  C20  112.55  3.000
 4SL  H4   C11  N10  106.96  3.000
 4SL  C12  C11  N10  106.04  3.000
 4SL  C20  C11  N10  112.78  3.000
 4SL  C21  C20  C23  109.01  3.000
 4SL  C23  C20  C22  108.80  3.000
 4SL  C21  C20  C22  108.69  3.000
 4SL  C22  C20  C11  109.70  3.000
 4SL  C23  C20  C11  107.88  3.000
 4SL  C21  C20  C11  112.70  3.000
 4SL  H24  C22  H23  106.98  3.000
 4SL  H24  C22  H22  108.84  3.000
 4SL  H23  C22  H22  107.16  3.000
 4SL  H24  C22  C20  112.26  3.000
 4SL  H23  C22  C20  109.64  3.000
 4SL  H22  C22  C20  111.73  3.000
 4SL  H27  C23  H26  107.34  3.000
 4SL  H27  C23  H25  107.88  3.000
 4SL  H26  C23  H25  107.87  3.000
 4SL  H27  C23  C20  109.89  3.000
 4SL  H26  C23  C20  111.95  3.000
 4SL  H25  C23  C20  111.72  3.000
 4SL  H30  C21  H29  108.76  3.000
 4SL  H30  C21  H28  107.36  3.000
 4SL  H29  C21  H28  107.05  3.000
 4SL  H30  C21  C20  111.98  3.000
 4SL  H29  C21  C20  112.34  3.000
 4SL  H28  C21  C20  109.10  3.000
 4SL  N13  C12  O24  122.71  3.000
 4SL  O24  C12  C11  117.71  3.000
 4SL  N13  C12  C11  119.59  3.000
 4SL  H2   C14  N13  106.17  3.000
 4SL  H2   C14  C32  107.29  3.000
 4SL  N13  C14  C32  112.35  3.000
 4SL  H2   C14  C26  108.97  3.000
 4SL  C32  C14  C26  112.62  3.000
 4SL  N13  C14  C26  109.18  3.000
 4SL  C27  C29  O31  117.50  3.000
 4SL  C27  C29  O30  115.31  3.000
 4SL  O31  C29  O30  127.15  3.000
 4SL  H10  C28  H9   108.21  3.000
 4SL  H10  C28  H8   106.60  3.000
 4SL  H9   C28  H8   107.89  3.000
 4SL  H10  C28  C27  110.61  3.000
 4SL  H9   C28  C27  111.95  3.000
 4SL  H8   C28  C27  111.37  3.000
 4SL  H11  C26  C27  118.74  3.000
 4SL  H11  C26  C14  116.31  3.000
 4SL  C27  C26  C14  124.86  3.000
 4SL  H12  C32  C33  108.38  3.000
 4SL  H12  C32  C34  107.74  3.000
 4SL  C33  C32  C34  110.77  3.000
 4SL  H12  C32  C14  109.16  3.000
 4SL  C33  C32  C14  111.58  3.000
 4SL  C34  C32  C14  109.13  3.000
 4SL  H15  C34  H14  107.69  3.000
 4SL  H15  C34  H13  107.52  3.000
 4SL  H14  C34  H13  107.88  3.000
 4SL  H15  C34  C32  111.89  3.000
 4SL  H14  C34  C32  110.92  3.000
 4SL  H13  C34  C32  110.77  3.000
 4SL  H18  C33  H17  107.82  3.000
 4SL  H18  C33  H16  107.51  3.000
 4SL  H17  C33  H16  107.42  3.000
 4SL  H18  C33  C32  111.02  3.000
 4SL  H17  C33  C32  110.78  3.000
 4SL  H16  C33  C32  112.09  3.000
 4SL  C25  N13  C14  116.22  3.000
 4SL  C14  N13  C12  118.84  3.000
 4SL  C25  N13  C12  124.75  3.000
 4SL  H21  C25  H20  106.47  3.000
 4SL  H21  C25  H19  108.85  3.000
 4SL  H20  C25  H19  107.75  3.000
 4SL  H21  C25  N13  111.91  3.000
 4SL  H20  C25  N13  108.99  3.000
 4SL  H19  C25  N13  112.61  3.000
 4SL  C26  C27  C28  121.45  3.000
 4SL  C26  C27  C29  123.33  3.000
 4SL  C28  C27  C29  115.19  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
 4SL  CONST_01  C1   C6   C5   C4      0.00   0.0  0
 4SL  CONST_02  C1   C2   C3   C4      0.00   0.0  0
 4SL  CONST_03  C2   C3   C4   C5      0.00   0.0  0
 4SL  CONST_04  C2   C1   C6   C5      0.00   0.0  0
 4SL  CONST_05  C3   C4   C5   C6      0.00   0.0  0
 4SL  CONST_06  C3   C2   C1   C6      0.00   0.0  0
 4SL  CONST_07  C3   C4   C5   C7    180.00   0.0  0
 4SL  CONST_08  C1   C6   C5   C7    180.00   0.0  0
 4SL  CONST_09  H3   C6   C5   C4    180.00   0.0  0
 4SL  CONST_10  H43  C2   C3   C4    180.00   0.0  0
 4SL  CONST_11  H6   C3   C4   C5    180.00   0.0  0
 4SL  CONST_12  H44  C1   C6   C5    180.00   0.0  0
 4SL  CONST_13  H1   C4   C5   C6    180.00   0.0  0
 4SL  CONST_14  C11  N10  C9   C8    180.00   0.0  0
 4SL  CONST_15  C11  N10  C9   O19     0.00   0.0  0
 4SL  CONST_16  C25  N13  C12  C11     0.00   0.0  0
 4SL  CONST_17  C14  N13  C12  C11   180.00   0.0  0
 4SL  CONST_18  C25  N13  C12  O24   180.00   0.0  0
 4SL  CONST_19  C14  N13  C12  O24     0.00   0.0  0
 4SL  CONST_20  H31  N10  C9   C8      0.00   0.0  0
 4SL  Var_01    C8   C7   C5   C4    169.20  30.0  3
 4SL  Var_02    H37  C15  C7   C5    174.75  30.0  3
 4SL  Var_03    H40  C16  C7   C5    -61.28  30.0  3
 4SL  Var_04    C29  C27  C26  C14     1.95   0.0  2
 4SL  Var_05    H34  C18  N17  C8     68.09  30.0  3
 4SL  Var_06    H28  C21  C20  C11  -172.30  30.0  3
 4SL  Var_07    H25  C23  C20  C11   -57.34  30.0  3
 4SL  Var_08    H22  C22  C20  C11    57.89  30.0  3
 4SL  Var_09    H19  C25  N13  C12    87.07  30.0  3
 4SL  Var_10    H13  C34  C32  C14    59.00  30.0  3
 4SL  Var_11    H16  C33  C32  C14    63.32  30.0  3
 4SL  Var_12    H8   C28  C27  C29    58.45  30.0  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
 4SL  chir_01  C8   C9   N17  C7   negativ
 4SL  chir_02  C11  N10  C12  C20  positiv
 4SL  chir_03  C14  N13  C26  C32  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
 4SL  plan-1  C4   0.020
 4SL  plan-1  C5   0.020
 4SL  plan-1  C6   0.020
 4SL  plan-1  C7   0.020
 4SL  plan-1  C3   0.020
 4SL  plan-1  C2   0.020
 4SL  plan-1  C1   0.020
 4SL  plan-1  H1   0.020
 4SL  plan-1  H3   0.020
 4SL  plan-1  H6   0.020
 4SL  plan-1  H43  0.020
 4SL  plan-1  H44  0.020
 4SL  plan-2  C8   0.020
 4SL  plan-2  C9   0.020
 4SL  plan-2  O19  0.020
 4SL  plan-2  N10  0.020
 4SL  plan-2  C11  0.020
 4SL  plan-2  H31  0.020
 4SL  plan-3  C11  0.020
 4SL  plan-3  C12  0.020
 4SL  plan-3  O24  0.020
 4SL  plan-3  C14  0.020
 4SL  plan-3  N13  0.020
 4SL  plan-3  C25  0.020
 4SL  plan-4  O30  0.020
 4SL  plan-4  C29  0.020
 4SL  plan-4  O31  0.020
 4SL  plan-4  C27  0.020
 4SL  plan-5  C14  0.020
 4SL  plan-5  C29  0.020
 4SL  plan-5  C28  0.020
 4SL  plan-5  C26  0.020
 4SL  plan-5  H11  0.020
 4SL  plan-5  C27  0.020

