# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr  6 04:22:42 2020
#   Inital geometry file: a 156 line input string
#   Ligand name: (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1nc(nc(NC[C@H](NCCCCc2ccccc2)c3ccccc3)c1Cl)c4ccc(Cl)cn4
#
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
 1AY  1AY  (1R)-N~2~-[5-chloro-2-(5-chloropyridin-2-yl)-6-methylpyrimidin-4-yl]-1-phenyl-N~1~-(4-phenylbutyl)ethane-1,2-diamine  ligand  64  35  .  2022-07-22  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_1AY
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
 1AY  C3   C   CR6   0   0.152  -5.3062   0.6830  -0.0047
 1AY  C5   C   CR16  0  -0.295  -6.5077   1.3831  -0.0819
 1AY  C6   C   CR16  0  -0.098  -7.6993   0.6806  -0.0682
 1AY  C4   C   CR6   0   0.360  -4.0074   1.4076  -0.0165
 1AY  N2   N   N     0  -0.400  -5.2678  -0.6429   0.0818
 1AY  C7   C   CR6   0  -0.101  -7.6397  -0.6987   0.0232
 1AY  C1   C   CR16  0  -0.053  -6.4000  -1.3216   0.0956
 1AY  N25  N   N     0  -0.483  -4.0742   2.7241  -0.1208
 1AY  C23  C   CR6   0   0.333  -2.9216   3.4028  -0.1333
 1AY  C24  C   CH3   0  -0.737  -2.9932   4.8898  -0.2536
 1AY  N9   N   N     0  -0.464  -2.9075   0.6811   0.0722
 1AY  C10  C   CR6   0   0.637  -1.7380   1.3214   0.0685
 1AY  C21  C   CR6   0  -0.248  -1.7235   2.7307  -0.0359
 1AY  CL2  CL  CL    0  -0.110  -0.2191   3.5778  -0.0392
 1AY  N11  N   NH1   0  -0.672  -0.6152   0.6087   0.1760
 1AY  C12  C   CH2   0  -0.242  -0.5709  -0.8335   0.1752
 1AY  C13  C   CH1   0  -0.221   0.8316  -1.2754   0.5978
 1AY  C14  C   CR6   0   0.165   0.9298  -2.7878   0.5737
 1AY  C26  C   CR16  0  -0.319   0.9794  -3.4823  -0.6332
 1AY  C27  C   CR16  0  -0.239   1.0567  -4.8676  -0.6502
 1AY  C28  C   CR16  0  -0.270   1.0838  -5.5798   0.5429
 1AY  C29  C   CR16  0  -0.239   1.0346  -4.8974   1.7504
 1AY  C30  C   CR16  0  -0.320   0.9591  -3.5101   1.7619
 1AY  N15  N   NH1   0  -0.600   1.8060  -0.5679  -0.2111
 1AY  C16  C   CH2   0  -0.246   3.1881  -0.7520   0.1912
 1AY  C17  C   CH2   0  -0.441   4.1057   0.1711  -0.5946
 1AY  C18  C   CH2   0  -0.416   5.5678   0.0160  -0.2000
 1AY  C19  C   CH2   0  -0.505   6.4887   0.9549  -0.9815
 1AY  C31  C   CR6   0   0.139   7.9289   0.7958  -0.5826
 1AY  C36  C   CR16  0  -0.311   8.4308   1.4541   0.5393
 1AY  C35  C   CR16  0  -0.240   9.7476   1.2781   0.9416
 1AY  C34  C   CR16  0  -0.275  10.5889   0.4359   0.2248
 1AY  C33  C   CR16  0  -0.239  10.1016  -0.2255  -0.8946
 1AY  C32  C   CR16  0  -0.317   8.7829  -0.0451  -1.2927
 1AY  H1   H   HCR6  0   0.283  -6.5100   2.4607  -0.1509
 1AY  H2   H   HCR6  0   0.297  -8.6471   1.1980  -0.1277
 1AY  H3   H   HCR6  0   0.285  -6.3316  -2.4014   0.1660
 1AY  H4   H   HCH3  0   0.263  -2.5918   5.3753   0.6375
 1AY  H5   H   HCH3  0   0.260  -2.4113   5.2475  -1.1037
 1AY  H6   H   HCH3  0   0.261  -4.0266   5.2018  -0.3816
 1AY  H7   H   HNH1  0   0.389   0.2801   1.0539   0.0227
 1AY  H8   H   HCH2  0   0.259  -1.3083  -1.2371   0.8687
 1AY  H9   H   HCH2  0   0.236  -0.8108  -1.2358  -0.8169
 1AY  H10  H   HCH1  0   0.258   0.9823  -0.9463   1.6322
 1AY  H11  H   HCR6  0   0.245   0.9617  -2.9430  -1.5744
 1AY  H12  H   HCR6  0   0.255   1.0971  -5.3931  -1.5957
 1AY  H13  H   HCR6  0   0.256   1.1450  -6.6602   0.5298
 1AY  H14  H   HCR6  0   0.255   1.0590  -5.4444   2.6844
 1AY  H15  H   HCR6  0   0.250   0.9237  -2.9812   2.7079
 1AY  H16  H   HNH1  0   0.349   1.6992  -0.8161  -1.1892
 1AY  H18  H   HCH2  0   0.221   3.2631  -0.5190   1.2578
 1AY  H19  H   HCH2  0   0.198   3.5278  -1.7920   0.0780
 1AY  H20  H   HCH2  0   0.218   3.9952  -0.0327  -1.6654
 1AY  H21  H   HCH2  0   0.219   3.7855   1.2059  -0.4398
 1AY  H22  H   HCH2  0   0.223   5.6830   0.2111   0.8710
 1AY  H23  H   HCH2  0   0.223   5.8879  -1.0184  -0.3607
 1AY  H24  H   HCH2  0   0.237   6.3763   0.7621  -2.0518
 1AY  H25  H   HCH2  0   0.237   6.1705   1.9879  -0.8136
 1AY  H26  H   HCR6  0   0.244   7.7816   2.1154   1.1018
 1AY  H27  H   HCR6  0   0.252  10.1189   1.8008   1.8142
 1AY  H28  H   HCR6  0   0.252  11.6170   0.2995   0.5345
 1AY  H29  H   HCR6  0   0.252  10.7493  -0.8828  -1.4606
 1AY  H30  H   HCR6  0   0.244   8.4140  -0.5623  -2.1713
 1AY  CL8  CL  CL    0  -0.107  -9.0784  -1.6464   0.0483

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
 1AY  CL8  C7   single    1.723  0.020  1.723
 1AY  C1   C7   aromatic  1.389  0.020  1.389
 1AY  C1   N2   aromatic  1.320  0.020  1.320
 1AY  C7   C6   aromatic  1.384  0.020  1.384
 1AY  N2   C3   aromatic  1.329  0.020  1.329
 1AY  C6   C5   aromatic  1.383  0.020  1.383
 1AY  C3   C5   aromatic  1.393  0.020  1.393
 1AY  C3   C4   single    1.487  0.020  1.487
 1AY  N25  C4   aromatic  1.322  0.020  1.322
 1AY  N25  C23  aromatic  1.338  0.020  1.338
 1AY  C24  C23  single    1.494  0.020  1.494
 1AY  C4   N9   aromatic  1.321  0.020  1.321
 1AY  C23  C21  aromatic  1.377  0.020  1.377
 1AY  N9   C10  aromatic  1.333  0.020  1.333
 1AY  C21  C10  aromatic  1.413  0.020  1.413
 1AY  C21  CL2  single    1.726  0.020  1.726
 1AY  C10  N11  single    1.334  0.020  1.334
 1AY  N11  C12  single    1.443  0.020  1.443
 1AY  C12  C13  single    1.530  0.020  1.530
 1AY  C13  C14  single    1.516  0.020  1.516
 1AY  C13  N15  single    1.451  0.020  1.451
 1AY  C26  C14  aromatic  1.393  0.020  1.393
 1AY  C26  C27  aromatic  1.388  0.020  1.388
 1AY  C14  C30  aromatic  1.391  0.020  1.391
 1AY  N15  C16  single    1.451  0.020  1.451
 1AY  C27  C28  aromatic  1.390  0.020  1.390
 1AY  C30  C29  aromatic  1.389  0.020  1.389
 1AY  C16  C17  single    1.520  0.020  1.520
 1AY  C28  C29  aromatic  1.388  0.020  1.388
 1AY  C17  C18  single    1.522  0.020  1.522
 1AY  C36  C35  aromatic  1.388  0.020  1.388
 1AY  C36  C31  aromatic  1.394  0.020  1.394
 1AY  C18  C19  single    1.530  0.020  1.530
 1AY  C35  C34  aromatic  1.390  0.020  1.390
 1AY  C19  C31  single    1.503  0.020  1.503
 1AY  C31  C32  aromatic  1.393  0.020  1.393
 1AY  C34  C33  aromatic  1.389  0.020  1.389
 1AY  C32  C33  aromatic  1.389  0.020  1.389
 1AY  C5   H1   single    0.930  0.020  1.080
 1AY  C6   H2   single    0.930  0.020  1.080
 1AY  C1   H3   single    0.930  0.020  1.080
 1AY  C24  H4   single    0.970  0.020  1.090
 1AY  C24  H5   single    0.970  0.020  1.090
 1AY  C24  H6   single    0.970  0.020  1.090
 1AY  N11  H7   single    0.860  0.020  1.020
 1AY  C12  H8   single    0.970  0.020  1.090
 1AY  C12  H9   single    0.970  0.020  1.090
 1AY  C13  H10  single    0.970  0.020  1.090
 1AY  C26  H11  single    0.930  0.020  1.080
 1AY  C27  H12  single    0.930  0.020  1.080
 1AY  C28  H13  single    0.930  0.020  1.080
 1AY  C29  H14  single    0.930  0.020  1.080
 1AY  C30  H15  single    0.930  0.020  1.080
 1AY  N15  H16  single    0.890  0.020  1.040
 1AY  C16  H18  single    0.970  0.020  1.090
 1AY  C16  H19  single    0.970  0.020  1.090
 1AY  C17  H20  single    0.970  0.020  1.090
 1AY  C17  H21  single    0.970  0.020  1.090
 1AY  C18  H22  single    0.970  0.020  1.090
 1AY  C18  H23  single    0.970  0.020  1.090
 1AY  C19  H24  single    0.970  0.020  1.090
 1AY  C19  H25  single    0.970  0.020  1.090
 1AY  C36  H26  single    0.930  0.020  1.080
 1AY  C35  H27  single    0.930  0.020  1.080
 1AY  C34  H28  single    0.930  0.020  1.080
 1AY  C33  H29  single    0.930  0.020  1.080
 1AY  C32  H30  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
 1AY  N2   C3   C4   117.47  3.000
 1AY  C4   C3   C5   120.53  3.000
 1AY  N2   C3   C5   122.01  3.000
 1AY  H1   C5   C6   120.37  3.000
 1AY  H1   C5   C3   120.47  3.000
 1AY  C6   C5   C3   119.16  3.000
 1AY  H2   C6   C7   121.22  3.000
 1AY  H2   C6   C5   120.76  3.000
 1AY  C7   C6   C5   118.02  3.000
 1AY  N9   C4   N25  126.50  3.000
 1AY  N9   C4   C3   117.29  3.000
 1AY  N25  C4   C3   116.20  3.000
 1AY  C1   N2   C3   119.26  3.000
 1AY  C1   C7   CL8  119.85  3.000
 1AY  C1   C7   C6   119.26  3.000
 1AY  CL8  C7   C6   120.89  3.000
 1AY  H3   C1   C7   120.41  3.000
 1AY  H3   C1   N2   117.30  3.000
 1AY  C7   C1   N2   122.29  3.000
 1AY  C23  N25  C4   117.54  3.000
 1AY  C21  C23  C24  122.22  3.000
 1AY  C21  C23  N25  120.09  3.000
 1AY  C24  C23  N25  117.68  3.000
 1AY  H6   C24  H5   108.74  3.000
 1AY  H6   C24  H4   108.55  3.000
 1AY  H5   C24  H4   107.12  3.000
 1AY  H6   C24  C23  109.92  3.000
 1AY  H5   C24  C23  111.33  3.000
 1AY  H4   C24  C23  111.07  3.000
 1AY  C10  N9   C4   117.77  3.000
 1AY  N11  C10  C21  122.00  3.000
 1AY  N11  C10  N9   118.78  3.000
 1AY  C21  C10  N9   119.21  3.000
 1AY  CL2  C21  C10  119.89  3.000
 1AY  CL2  C21  C23  121.23  3.000
 1AY  C10  C21  C23  118.88  3.000
 1AY  H7   N11  C12  114.37  3.000
 1AY  H7   N11  C10  119.84  3.000
 1AY  C12  N11  C10  124.03  3.000
 1AY  H9   C12  H8   106.96  3.000
 1AY  H9   C12  C13  110.14  3.000
 1AY  H8   C12  C13  109.73  3.000
 1AY  H9   C12  N11  111.12  3.000
 1AY  H8   C12  N11  110.43  3.000
 1AY  C13  C12  N11  108.46  3.000
 1AY  H10  C13  N15  106.71  3.000
 1AY  H10  C13  C14  107.80  3.000
 1AY  N15  C13  C14  115.74  3.000
 1AY  H10  C13  C12  107.46  3.000
 1AY  N15  C13  C12  108.71  3.000
 1AY  C14  C13  C12  110.07  3.000
 1AY  C30  C14  C26  118.71  3.000
 1AY  C30  C14  C13  120.40  3.000
 1AY  C26  C14  C13  120.89  3.000
 1AY  H11  C26  C27  119.12  3.000
 1AY  H11  C26  C14  120.20  3.000
 1AY  C27  C26  C14  120.68  3.000
 1AY  H12  C27  C28  120.02  3.000
 1AY  H12  C27  C26  119.84  3.000
 1AY  C28  C27  C26  120.14  3.000
 1AY  H13  C28  C29  120.23  3.000
 1AY  H13  C28  C27  120.15  3.000
 1AY  C29  C28  C27  119.62  3.000
 1AY  H14  C29  C30  119.90  3.000
 1AY  H14  C29  C28  120.09  3.000
 1AY  C30  C29  C28  120.00  3.000
 1AY  H15  C30  C29  119.74  3.000
 1AY  H15  C30  C14  119.42  3.000
 1AY  C29  C30  C14  120.84  3.000
 1AY  H16  N15  C16  109.66  3.000
 1AY  H16  N15  C13  110.33  3.000
 1AY  C16  N15  C13  115.04  3.000
 1AY  H19  C16  H18  106.29  3.000
 1AY  H19  C16  C17  109.54  3.000
 1AY  H18  C16  C17  109.46  3.000
 1AY  H19  C16  N15  112.67  3.000
 1AY  H18  C16  N15  107.97  3.000
 1AY  C17  C16  N15  110.76  3.000
 1AY  H21  C17  H20  106.54  3.000
 1AY  H21  C17  C18  109.92  3.000
 1AY  H20  C17  C18  109.34  3.000
 1AY  H21  C17  C16  108.93  3.000
 1AY  H20  C17  C16  109.35  3.000
 1AY  C18  C17  C16  112.57  3.000
 1AY  H23  C18  H22  106.34  3.000
 1AY  H23  C18  C19  109.20  3.000
 1AY  H22  C18  C19  109.09  3.000
 1AY  H23  C18  C17  109.82  3.000
 1AY  H22  C18  C17  109.66  3.000
 1AY  C19  C18  C17  112.53  3.000
 1AY  H25  C19  H24  106.67  3.000
 1AY  H25  C19  C31  109.75  3.000
 1AY  H24  C19  C31  109.86  3.000
 1AY  H25  C19  C18  109.03  3.000
 1AY  H24  C19  C18  109.27  3.000
 1AY  C31  C19  C18  112.11  3.000
 1AY  C32  C31  C36  118.33  3.000
 1AY  C32  C31  C19  121.07  3.000
 1AY  C36  C31  C19  120.57  3.000
 1AY  H26  C36  C35  119.67  3.000
 1AY  H26  C36  C31  119.34  3.000
 1AY  C35  C36  C31  120.99  3.000
 1AY  H27  C35  C34  120.05  3.000
 1AY  H27  C35  C36  119.84  3.000
 1AY  C34  C35  C36  120.11  3.000
 1AY  H28  C34  C33  120.27  3.000
 1AY  H28  C34  C35  120.26  3.000
 1AY  C33  C34  C35  119.48  3.000
 1AY  H29  C33  C32  119.80  3.000
 1AY  H29  C33  C34  120.05  3.000
 1AY  C32  C33  C34  120.16  3.000
 1AY  H30  C32  C33  119.56  3.000
 1AY  H30  C32  C31  119.50  3.000
 1AY  C33  C32  C31  120.94  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
 1AY  CONST_01  C7   C1   N2   C3      0.00   0.0  0
 1AY  CONST_02  C7   C6   C5   C3      0.00   0.0  0
 1AY  CONST_03  C23  N25  C4   C3    180.00   0.0  0
 1AY  CONST_04  C10  N9   C4   C3    180.00   0.0  0
 1AY  CONST_05  C1   C7   C6   C5      0.00   0.0  0
 1AY  CONST_06  C1   N2   C3   C5      0.00   0.0  0
 1AY  CONST_07  N25  C4   C3   C5      0.00   0.0  0
 1AY  CONST_08  N9   C4   C3   C5    180.00   0.0  0
 1AY  CONST_09  N2   C1   C7   C6      0.00   0.0  0
 1AY  CONST_10  N2   C3   C5   C6      0.00   0.0  0
 1AY  CONST_11  C4   C3   C5   C6    180.00   0.0  0
 1AY  CONST_12  C1   N2   C3   C4    180.00   0.0  0
 1AY  CONST_13  C21  C23  N25  C4      0.00   0.0  0
 1AY  CONST_14  C21  C10  N9   C4      0.00   0.0  0
 1AY  CONST_15  N25  C4   C3   N2    180.00   0.0  0
 1AY  CONST_16  N9   C4   C3   N2      0.00   0.0  0
 1AY  CONST_17  C10  N9   C4   N25     0.00   0.0  0
 1AY  CONST_18  C10  C21  C23  N25     0.00   0.0  0
 1AY  CONST_19  N9   C4   N25  C23     0.00   0.0  0
 1AY  CONST_20  N9   C10  C21  C23     0.00   0.0  0
 1AY  CONST_21  C28  C27  C26  C14     0.00   0.0  0
 1AY  CONST_22  C28  C29  C30  C14     0.00   0.0  0
 1AY  CONST_23  C29  C30  C14  C26     0.00   0.0  0
 1AY  CONST_24  C29  C28  C27  C26     0.00   0.0  0
 1AY  CONST_25  C30  C14  C26  C27     0.00   0.0  0
 1AY  CONST_26  C30  C29  C28  C27     0.00   0.0  0
 1AY  CONST_27  C34  C35  C36  C31     0.00   0.0  0
 1AY  CONST_28  C34  C33  C32  C31     0.00   0.0  0
 1AY  CONST_29  C33  C34  C35  C36     0.00   0.0  0
 1AY  CONST_30  C33  C32  C31  C36     0.00   0.0  0
 1AY  CONST_31  C32  C31  C36  C35     0.00   0.0  0
 1AY  CONST_32  C32  C33  C34  C35     0.00   0.0  0
 1AY  CONST_33  CL8  C7   C6   C5    180.00   0.0  0
 1AY  CONST_34  C24  C23  N25  C4    180.00   0.0  0
 1AY  CONST_35  N11  C10  N9   C4    180.00   0.0  0
 1AY  CONST_36  CL8  C7   C1   N2    180.00   0.0  0
 1AY  CONST_37  CL2  C21  C23  N25   180.00   0.0  0
 1AY  CONST_38  N11  C10  C21  C23   180.00   0.0  0
 1AY  CONST_39  C10  C21  C23  C24   180.00   0.0  0
 1AY  CONST_40  CL2  C21  C10  N9    180.00   0.0  0
 1AY  CONST_41  C27  C26  C14  C13   180.00   0.0  0
 1AY  CONST_42  C29  C30  C14  C13   180.00   0.0  0
 1AY  CONST_43  C35  C36  C31  C19   180.00   0.0  0
 1AY  CONST_44  C33  C32  C31  C19   180.00   0.0  0
 1AY  CONST_45  H3   C1   N2   C3    180.00   0.0  0
 1AY  CONST_46  H2   C6   C5   C3    180.00   0.0  0
 1AY  CONST_47  H1   C5   C3   C4      0.00   0.0  0
 1AY  CONST_48  H12  C27  C26  C14   180.00   0.0  0
 1AY  CONST_49  H14  C29  C30  C14   180.00   0.0  0
 1AY  CONST_50  H15  C30  C14  C26   180.00   0.0  0
 1AY  CONST_51  H13  C28  C27  C26   180.00   0.0  0
 1AY  CONST_52  H11  C26  C27  C28   180.00   0.0  0
 1AY  CONST_53  H27  C35  C36  C31   180.00   0.0  0
 1AY  CONST_54  H29  C33  C32  C31   180.00   0.0  0
 1AY  CONST_55  H28  C34  C35  C36   180.00   0.0  0
 1AY  CONST_56  H30  C32  C31  C36   180.00   0.0  0
 1AY  CONST_57  H26  C36  C35  C34   180.00   0.0  0
 1AY  CONST_58  C12  N11  C10  N9      0.00   0.0  0
 1AY  CONST_59  C12  N11  C10  C21   180.00   0.0  0
 1AY  CONST_60  H7   N11  C10  N9    180.00   0.0  0
 1AY  Var_01    C36  C31  C19  C18   -83.09  30.0  2
 1AY  Var_02    H4   C24  C23  N25   116.45  30.0  2
 1AY  Var_03    C13  C12  N11  C10  -168.66  30.0  3
 1AY  Var_04    C31  C19  C18  C17   179.88  30.0  3
 1AY  Var_05    C17  C16  N15  C13  -172.37  30.0  3
 1AY  Var_06    C18  C17  C16  N15   179.75  30.0  3
 1AY  Var_07    C19  C18  C17  C16  -179.44  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
 1AY  chir_01  C13  C12  C14  N15  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
 1AY  plan-1  C3   0.020
 1AY  plan-1  C5   0.020
 1AY  plan-1  C6   0.020
 1AY  plan-1  C4   0.020
 1AY  plan-1  N2   0.020
 1AY  plan-1  C7   0.020
 1AY  plan-1  C1   0.020
 1AY  plan-1  H1   0.020
 1AY  plan-1  H2   0.020
 1AY  plan-1  H3   0.020
 1AY  plan-1  CL8  0.020
 1AY  plan-2  C3   0.020
 1AY  plan-2  C4   0.020
 1AY  plan-2  N25  0.020
 1AY  plan-2  C23  0.020
 1AY  plan-2  C24  0.020
 1AY  plan-2  N9   0.020
 1AY  plan-2  C10  0.020
 1AY  plan-2  C21  0.020
 1AY  plan-2  CL2  0.020
 1AY  plan-2  N11  0.020
 1AY  plan-3  C13  0.020
 1AY  plan-3  C14  0.020
 1AY  plan-3  C26  0.020
 1AY  plan-3  C27  0.020
 1AY  plan-3  C28  0.020
 1AY  plan-3  C29  0.020
 1AY  plan-3  C30  0.020
 1AY  plan-3  H11  0.020
 1AY  plan-3  H12  0.020
 1AY  plan-3  H13  0.020
 1AY  plan-3  H14  0.020
 1AY  plan-3  H15  0.020
 1AY  plan-4  C19  0.020
 1AY  plan-4  C31  0.020
 1AY  plan-4  C36  0.020
 1AY  plan-4  C35  0.020
 1AY  plan-4  C34  0.020
 1AY  plan-4  C33  0.020
 1AY  plan-4  C32  0.020
 1AY  plan-4  H26  0.020
 1AY  plan-4  H27  0.020
 1AY  plan-4  H28  0.020
 1AY  plan-4  H29  0.020
 1AY  plan-4  H30  0.020
 1AY  plan-5  C10  0.020
 1AY  plan-5  N11  0.020
 1AY  plan-5  C12  0.020
 1AY  plan-5  H7   0.020

