# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 26 09:05:48 2020
#   Inital geometry file: a 160 line input string
#   Ligand name: 5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)c1oc(cc1)c2ccc(cc2)C(=S)NCc3ccc(cc3)c4cc(nn4c5ccc(Cl)c(Cl)c5)C(O)=O
#
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
 3J0  3J0  '5-{4-[({[4-(5-carboxyfuran-2-yl)phenyl]carbonothioyl}amino)methyl]phenyl}-1-(3,4-dichlorophenyl)-1H-pyrazole-3-carboxylic acid'  ligand  59  40  .  2022-11-17  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_3J0
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
 3J0  C10  C   CR16  0  -0.277   6.2784  -0.8969   0.3717
 3J0  C13  C   CR16  0  -0.265   3.9212   0.4278   0.9820
 3J0  C15  C   C     0   0.169   2.7924  -1.7419   1.5223
 3J0  C20  C   CR16  0  -0.265  -1.0448   0.1666   1.8991
 3J0  C21  C   CR16  0  -0.274  -2.0615   1.0504   1.5788
 3J0  C22  C   CR6   0   0.026  -2.8168   0.8676   0.4212
 3J0  C24  C   CR16  0  -0.270  -1.5115  -1.0945  -0.0835
 3J0  C26  C   CR15  0  -0.534  -3.8444   3.2008   0.1169
 3J0  O01  O   OH1   0  -0.593  10.8893  -0.2747  -1.1792
 3J0  C03  C   CR5   0   0.237   9.4350   1.4954  -0.8318
 3J0  O04  O   O     0  -0.437  11.6329   1.8069  -1.5689
 3J0  C05  C   CR15  0  -0.289   8.9215   2.7542  -0.7641
 3J0  C06  C   CR15  0  -0.365   7.5868   2.6095  -0.3251
 3J0  C07  C   CR5   0   0.424   7.3805   1.2671  -0.1557
 3J0  O08  O   O     0  -0.426   8.5011   0.5952  -0.4616
 3J0  C09  C   CR6   0  -0.003   6.2261   0.4963   0.2686
 3J0  C11  C   CR16  0  -0.256   5.1710  -1.6116   0.7867
 3J0  C12  C   CR6   0   0.047   3.9756  -0.9631   1.0885
 3J0  C14  C   CR16  0  -0.304   5.0328   1.1475   0.5860
 3J0  N16  N   NH1   0  -0.563   1.6255  -1.2903   1.0868
 3J0  S17  S   S1    0  -0.339   2.9426  -3.0734   2.5089
 3J0  C18  C   CH2   0  -0.327   0.3421  -1.8731   1.4282
 3J0  C19  C   CR6   0   0.053  -0.7646  -0.9206   1.0762
 3J0  C23  C   CR16  0  -0.261  -2.5257  -0.2101  -0.4132
 3J0  C25  C   CR5   0   0.434  -3.8728   1.8281   0.0971
 3J0  C27  C   CR5   0   0.149  -5.1099   3.5904  -0.3497
 3J0  N28  N   N     0  -0.260  -5.8673   2.5452  -0.6284
 3J0  N29  N   NR5   0  -0.452  -5.1177   1.4907  -0.3532
 3J0  C30  C   CR6   0   0.310  -5.6743   0.1989  -0.4955
 3J0  C31  C   CR16  0  -0.220  -5.5763  -0.7070   0.5484
 3J0  C32  C   CR6   0   0.009  -6.1078  -1.9767   0.3965
 3J0  C33  C   CR6   0  -0.002  -6.7537  -2.3283  -0.7847
 3J0  C34  C   CR16  0  -0.216  -6.8628  -1.4040  -1.8132
 3J0  C35  C   CR16  0  -0.264  -6.3184  -0.1398  -1.6757
 3J0  CL6  CL  CL    0  -0.083  -7.4226  -3.8988  -0.9813
 3J0  CL7  CL  CL    0  -0.082  -5.9724  -3.1002   1.6903
 3J0  C38  C   C     0   0.505  -5.5822   4.9715  -0.5273
 3J0  O39  O   O     0  -0.433  -4.8954   5.9307  -0.2731
 3J0  O40  O   OH1   0  -0.588  -6.8191   5.0379  -0.9889
 3J0  H1   H   HCR6  0   0.267   7.1843  -1.4354   0.1287
 3J0  H2   H   HCR6  0   0.271   3.0183   0.9664   1.2405
 3J0  H3   H   HCR6  0   0.264  -0.4757   0.3174   2.8083
 3J0  H4   H   HCR6  0   0.265  -2.2808   1.8763   2.2433
 3J0  H5   H   HCR6  0   0.264  -1.3009  -1.9279  -0.7423
 3J0  H6   H   HCR5  0   0.289  -3.0143   3.8286   0.3950
 3J0  H7   H   HOH1  0   0.493  11.7812  -0.5324  -1.4573
 3J0  H8   H   HCR5  0   0.286   9.4357   3.6711  -1.0012
 3J0  H9   H   HCR5  0   0.278   6.8747   3.4008  -0.1596
 3J0  H10  H   HCR6  0   0.265   5.2292  -2.6884   0.8703
 3J0  H11  H   HCR6  0   0.263   4.9628   2.2257   0.5286
 3J0  H12  H   HNH1  0   0.421   1.6223  -0.5658   0.3828
 3J0  H13  H   HCH2  0   0.272   0.2154  -2.8256   0.9062
 3J0  H14  H   HCH2  0   0.273   0.3401  -2.0954   2.4966
 3J0  H15  H   HCR6  0   0.266  -3.0769  -0.3594  -1.3326
 3J0  H16  H   HCR6  0   0.312  -5.1018  -0.4302   1.4797
 3J0  H17  H   HCR6  0   0.300  -7.3659  -1.6791  -2.7297
 3J0  H18  H   HCR6  0   0.294  -6.3911   0.5717  -2.4860
 3J0  H19  H   HOH1  0   0.490  -7.0840   5.9647  -1.0882
 3J0  C02  C   C     0   0.455  10.7615   1.0416  -1.2300

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
 3J0  O39  C38  double    1.207  0.020  1.207
 3J0  C38  O40  single    1.322  0.020  1.322
 3J0  C38  C27  single    1.470  0.020  1.470
 3J0  C27  C26  aromatic  1.404  0.020  1.404
 3J0  C27  N28  aromatic  1.320  0.020  1.320
 3J0  C26  C25  aromatic  1.373  0.020  1.373
 3J0  O04  C02  double    1.208  0.020  1.208
 3J0  O01  C02  single    1.324  0.020  1.324
 3J0  C02  C03  single    1.457  0.020  1.457
 3J0  N28  N29  aromatic  1.323  0.020  1.323
 3J0  C23  C24  aromatic  1.385  0.020  1.385
 3J0  C23  C22  aromatic  1.394  0.020  1.394
 3J0  C25  C22  single    1.464  0.020  1.464
 3J0  C25  N29  aromatic  1.366  0.020  1.366
 3J0  C24  C19  aromatic  1.390  0.020  1.390
 3J0  C22  C21  aromatic  1.394  0.020  1.394
 3J0  N29  C30  single    1.414  0.020  1.414
 3J0  C03  O08  aromatic  1.349  0.020  1.349
 3J0  C03  C05  aromatic  1.361  0.020  1.361
 3J0  O08  C07  aromatic  1.342  0.020  1.342
 3J0  C10  C11  aromatic  1.382  0.020  1.382
 3J0  C10  C09  aromatic  1.398  0.020  1.398
 3J0  C11  C12  aromatic  1.393  0.020  1.393
 3J0  C19  C18  single    1.502  0.020  1.502
 3J0  C19  C20  aromatic  1.392  0.020  1.392
 3J0  C05  C06  aromatic  1.412  0.020  1.412
 3J0  C07  C09  single    1.451  0.020  1.451
 3J0  C07  C06  aromatic  1.369  0.020  1.369
 3J0  C21  C20  aromatic  1.385  0.020  1.385
 3J0  C30  C31  aromatic  1.386  0.020  1.386
 3J0  C30  C35  aromatic  1.387  0.020  1.387
 3J0  N16  C18  single    1.450  0.020  1.450
 3J0  N16  C15  single    1.325  0.020  1.325
 3J0  C09  C14  aromatic  1.396  0.020  1.396
 3J0  C31  C32  aromatic  1.385  0.020  1.385
 3J0  C12  C15  single    1.481  0.020  1.481
 3J0  C12  C13  aromatic  1.396  0.020  1.396
 3J0  C35  C34  aromatic  1.383  0.020  1.383
 3J0  C15  S17  double    1.664  0.020  1.664
 3J0  C14  C13  aromatic  1.382  0.020  1.382
 3J0  C32  CL7  single    1.719  0.020  1.719
 3J0  C32  C33  aromatic  1.391  0.020  1.391
 3J0  C34  C33  aromatic  1.387  0.020  1.387
 3J0  C33  CL6  single    1.718  0.020  1.718
 3J0  C10  H1   single    0.930  0.020  1.080
 3J0  C13  H2   single    0.930  0.020  1.080
 3J0  C20  H3   single    0.930  0.020  1.080
 3J0  C21  H4   single    0.930  0.020  1.080
 3J0  C24  H5   single    0.930  0.020  1.080
 3J0  C26  H6   single    0.930  0.020  1.080
 3J0  O01  H7   single    0.850  0.020  0.980
 3J0  C05  H8   single    0.930  0.020  1.080
 3J0  C06  H9   single    0.930  0.020  1.080
 3J0  C11  H10  single    0.930  0.020  1.080
 3J0  C14  H11  single    0.930  0.020  1.080
 3J0  N16  H12  single    0.860  0.020  1.020
 3J0  C18  H13  single    0.970  0.020  1.090
 3J0  C18  H14  single    0.970  0.020  1.090
 3J0  C23  H15  single    0.930  0.020  1.080
 3J0  C31  H16  single    0.930  0.020  1.080
 3J0  C34  H17  single    0.930  0.020  1.080
 3J0  C35  H18  single    0.930  0.020  1.080
 3J0  O40  H19  single    0.850  0.020  0.980

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
 3J0  H1   C10  C11  118.76  3.000
 3J0  H1   C10  C09  120.73  3.000
 3J0  C11  C10  C09  120.51  3.000
 3J0  H2   C13  C14  118.69  3.000
 3J0  H2   C13  C12  120.66  3.000
 3J0  C14  C13  C12  120.62  3.000
 3J0  S17  C15  N16  123.17  3.000
 3J0  S17  C15  C12  121.48  3.000
 3J0  N16  C15  C12  115.34  3.000
 3J0  H3   C20  C19  119.95  3.000
 3J0  H3   C20  C21  119.41  3.000
 3J0  C19  C20  C21  120.64  3.000
 3J0  H4   C21  C22  119.99  3.000
 3J0  H4   C21  C20  119.59  3.000
 3J0  C22  C21  C20  120.40  3.000
 3J0  C25  C22  C23  121.70  3.000
 3J0  C25  C22  C21  119.25  3.000
 3J0  C23  C22  C21  119.03  3.000
 3J0  H5   C24  C23  119.27  3.000
 3J0  H5   C24  C19  119.94  3.000
 3J0  C23  C24  C19  120.79  3.000
 3J0  H6   C26  C27  128.22  3.000
 3J0  H6   C26  C25  127.03  3.000
 3J0  C27  C26  C25  104.71  3.000
 3J0  H7   O01  C02  110.02  3.000
 3J0  O08  C03  C05  110.02  3.000
 3J0  C05  C03  C02  130.16  3.000
 3J0  O08  C03  C02  119.82  3.000
 3J0  H8   C05  C06  127.34  3.000
 3J0  H8   C05  C03  126.57  3.000
 3J0  C06  C05  C03  106.09  3.000
 3J0  H9   C06  C07  127.00  3.000
 3J0  H9   C06  C05  126.66  3.000
 3J0  C07  C06  C05  106.34  3.000
 3J0  C09  C07  O08  117.71  3.000
 3J0  C09  C07  C06  132.60  3.000
 3J0  O08  C07  C06  109.69  3.000
 3J0  C07  O08  C03  107.85  3.000
 3J0  C14  C09  C07  119.91  3.000
 3J0  C14  C09  C10  118.69  3.000
 3J0  C07  C09  C10  121.40  3.000
 3J0  H10  C11  C12  119.53  3.000
 3J0  H10  C11  C10  119.67  3.000
 3J0  C12  C11  C10  120.80  3.000
 3J0  C11  C12  C15  120.27  3.000
 3J0  C15  C12  C13  121.00  3.000
 3J0  C11  C12  C13  118.73  3.000
 3J0  H11  C14  C09  120.53  3.000
 3J0  H11  C14  C13  118.82  3.000
 3J0  C09  C14  C13  120.64  3.000
 3J0  H12  N16  C18  116.71  3.000
 3J0  H12  N16  C15  118.44  3.000
 3J0  C18  N16  C15  124.41  3.000
 3J0  H14  C18  H13  106.84  3.000
 3J0  H14  C18  C19  110.93  3.000
 3J0  H13  C18  C19  110.80  3.000
 3J0  H14  C18  N16  108.30  3.000
 3J0  H13  C18  N16  109.89  3.000
 3J0  C19  C18  N16  110.00  3.000
 3J0  C18  C19  C24  120.80  3.000
 3J0  C18  C19  C20  120.34  3.000
 3J0  C24  C19  C20  118.86  3.000
 3J0  H15  C23  C24  119.13  3.000
 3J0  H15  C23  C22  120.59  3.000
 3J0  C24  C23  C22  120.27  3.000
 3J0  N29  C25  C26  105.69  3.000
 3J0  N29  C25  C22  124.63  3.000
 3J0  C26  C25  C22  129.63  3.000
 3J0  C38  C27  N28  122.26  3.000
 3J0  N28  C27  C26  111.57  3.000
 3J0  C38  C27  C26  126.18  3.000
 3J0  N29  N28  C27  105.19  3.000
 3J0  C30  N29  N28  118.97  3.000
 3J0  C30  N29  C25  128.14  3.000
 3J0  N28  N29  C25  112.84  3.000
 3J0  C35  C30  C31  120.96  3.000
 3J0  C35  C30  N29  119.45  3.000
 3J0  C31  C30  N29  119.59  3.000
 3J0  H16  C31  C32  119.84  3.000
 3J0  H16  C31  C30  120.84  3.000
 3J0  C32  C31  C30  119.32  3.000
 3J0  CL7  C32  C33  120.69  3.000
 3J0  C33  C32  C31  120.19  3.000
 3J0  CL7  C32  C31  119.11  3.000
 3J0  CL6  C33  C34  119.57  3.000
 3J0  CL6  C33  C32  120.58  3.000
 3J0  C34  C33  C32  119.84  3.000
 3J0  H17  C34  C35  120.00  3.000
 3J0  H17  C34  C33  119.71  3.000
 3J0  C35  C34  C33  120.28  3.000
 3J0  H18  C35  C34  120.05  3.000
 3J0  H18  C35  C30  120.57  3.000
 3J0  C34  C35  C30  119.39  3.000
 3J0  O40  C38  O39  124.49  3.000
 3J0  O40  C38  C27  112.94  3.000
 3J0  O39  C38  C27  122.57  3.000
 3J0  H19  O40  C38  109.85  3.000
 3J0  O04  C02  C03  122.41  3.000
 3J0  C03  C02  O01  112.78  3.000
 3J0  O04  C02  O01  124.82  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
 3J0  CONST_01  C13  C12  C11  C10     0.00   0.0  0
 3J0  CONST_02  O08  C07  C09  C10     0.00   0.0  0
 3J0  CONST_03  C06  C07  C09  C10   180.00   0.0  0
 3J0  CONST_04  C13  C14  C09  C10     0.00   0.0  0
 3J0  CONST_05  C07  C09  C14  C13   180.00   0.0  0
 3J0  CONST_06  C23  C24  C19  C20     0.00   0.0  0
 3J0  CONST_07  C23  C22  C21  C20     0.00   0.0  0
 3J0  CONST_08  C25  C22  C21  C20   180.00   0.0  0
 3J0  CONST_09  C24  C23  C22  C21     0.00   0.0  0
 3J0  CONST_12  C24  C19  C20  C21     0.00   0.0  0
 3J0  CONST_13  C19  C24  C23  C22     0.00   0.0  0
 3J0  CONST_14  C27  C26  C25  C22   180.00   0.0  0
 3J0  CONST_15  N28  N29  C25  C22   180.00   0.0  0
 3J0  CONST_16  C30  N29  C25  C22     0.00   0.0  0
 3J0  CONST_17  C19  C20  C21  C22     0.00   0.0  0
 3J0  CONST_18  C25  C22  C23  C24   180.00   0.0  0
 3J0  CONST_19  N29  N28  C27  C26     0.00   0.0  0
 3J0  CONST_21  N28  N29  C25  C26     0.00   0.0  0
 3J0  CONST_22  C30  N29  C25  C26   180.00   0.0  0
 3J0  CONST_23  C09  C07  O08  C03   180.00   0.0  0
 3J0  CONST_24  C06  C07  O08  C03     0.00   0.0  0
 3J0  CONST_25  C07  C06  C05  C03     0.00   0.0  0
 3J0  CONST_26  C07  O08  C03  C05     0.00   0.0  0
 3J0  CONST_27  O08  C07  C06  C05     0.00   0.0  0
 3J0  CONST_28  C09  C07  C06  C05   180.00   0.0  0
 3J0  CONST_29  O08  C03  C05  C06     0.00   0.0  0
 3J0  CONST_30  C14  C09  C07  C06     0.00   0.0  0
 3J0  CONST_31  C11  C10  C09  C07   180.00   0.0  0
 3J0  CONST_32  C14  C09  C07  O08   180.00   0.0  0
 3J0  CONST_33  C12  C11  C10  C09     0.00   0.0  0
 3J0  CONST_34  C12  C13  C14  C09     0.00   0.0  0
 3J0  CONST_35  C14  C09  C10  C11     0.00   0.0  0
 3J0  CONST_36  C14  C13  C12  C11     0.00   0.0  0
 3J0  CONST_38  N28  C27  C26  C25     0.00   0.0  0
 3J0  CONST_39  C27  N28  N29  C25     0.00   0.0  0
 3J0  CONST_42  N29  C25  C26  C27     0.00   0.0  0
 3J0  CONST_43  C30  N29  N28  C27   180.00   0.0  0
 3J0  CONST_46  C32  C31  C30  N29   180.00   0.0  0
 3J0  CONST_47  C34  C35  C30  N29   180.00   0.0  0
 3J0  CONST_48  C33  C32  C31  C30     0.00   0.0  0
 3J0  CONST_49  C33  C34  C35  C30     0.00   0.0  0
 3J0  CONST_50  C34  C35  C30  C31     0.00   0.0  0
 3J0  CONST_51  C34  C33  C32  C31     0.00   0.0  0
 3J0  CONST_52  C35  C30  C31  C32     0.00   0.0  0
 3J0  CONST_53  C35  C34  C33  C32     0.00   0.0  0
 3J0  CONST_54  C15  C12  C11  C10   180.00   0.0  0
 3J0  CONST_55  C14  C13  C12  C15   180.00   0.0  0
 3J0  CONST_56  C18  C19  C20  C21   180.00   0.0  0
 3J0  CONST_57  C07  O08  C03  C02   180.00   0.0  0
 3J0  CONST_58  C06  C05  C03  C02   180.00   0.0  0
 3J0  CONST_59  C23  C24  C19  C18   180.00   0.0  0
 3J0  CONST_60  C38  C27  C26  C25   180.00   0.0  0
 3J0  CONST_61  C38  C27  N28  N29   180.00   0.0  0
 3J0  CONST_62  CL7  C32  C31  C30   180.00   0.0  0
 3J0  CONST_63  CL6  C33  C32  C31   180.00   0.0  0
 3J0  CONST_64  CL7  C32  C33  C34   180.00   0.0  0
 3J0  CONST_65  CL6  C33  C34  C35   180.00   0.0  0
 3J0  CONST_66  H11  C14  C09  C10   180.00   0.0  0
 3J0  CONST_67  H10  C11  C12  C13   180.00   0.0  0
 3J0  CONST_68  H5   C24  C19  C20   180.00   0.0  0
 3J0  CONST_69  H15  C23  C22  C21   180.00   0.0  0
 3J0  CONST_70  H6   C26  C25  C22     0.00   0.0  0
 3J0  CONST_71  H3   C20  C21  C22   180.00   0.0  0
 3J0  CONST_72  H9   C06  C05  C03   180.00   0.0  0
 3J0  CONST_73  H1   C10  C09  C07     0.00   0.0  0
 3J0  CONST_74  H8   C05  C06  C07   180.00   0.0  0
 3J0  CONST_75  H2   C13  C14  C09   180.00   0.0  0
 3J0  CONST_76  H4   C21  C20  C19   180.00   0.0  0
 3J0  CONST_77  H16  C31  C30  N29     0.00   0.0  0
 3J0  CONST_78  H18  C35  C30  N29     0.00   0.0  0
 3J0  CONST_79  H17  C34  C35  C30   180.00   0.0  0
 3J0  CONST_80  H7   O01  C02  C03   180.00   0.0  0
 3J0  CONST_81  H19  O40  C38  C27   180.00   0.0  0
 3J0  Var_01    N16  C15  C12  C13    36.92  30.0  2
 3J0  Var_02    N16  C18  C19  C20   -77.95  30.0  2
 3J0  Var_03    O39  C38  C27  C26    -0.22  30.0  2
 3J0  Var_04    O08  C03  C02  O01     0.20  30.0  2
 3J0  Var_05    C19  C18  N16  C15   165.01  30.0  3
 3J0  Var_06    C18  N16  C15  C12  -177.80  30.0  1

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
 3J0  plan-1  C03  0.020
 3J0  plan-1  C05  0.020
 3J0  plan-1  C06  0.020
 3J0  plan-1  C07  0.020
 3J0  plan-1  O08  0.020
 3J0  plan-1  C09  0.020
 3J0  plan-1  H8   0.020
 3J0  plan-1  H9   0.020
 3J0  plan-1  C02  0.020
 3J0  plan-2  C15  0.020
 3J0  plan-2  C12  0.020
 3J0  plan-2  N16  0.020
 3J0  plan-2  S17  0.020
 3J0  plan-3  C22  0.020
 3J0  plan-3  C26  0.020
 3J0  plan-3  C25  0.020
 3J0  plan-3  C27  0.020
 3J0  plan-3  N28  0.020
 3J0  plan-3  N29  0.020
 3J0  plan-3  C30  0.020
 3J0  plan-3  C38  0.020
 3J0  plan-3  H6   0.020
 3J0  plan-4  C10  0.020
 3J0  plan-4  C13  0.020
 3J0  plan-4  C15  0.020
 3J0  plan-4  C07  0.020
 3J0  plan-4  C09  0.020
 3J0  plan-4  C11  0.020
 3J0  plan-4  C12  0.020
 3J0  plan-4  C14  0.020
 3J0  plan-4  H1   0.020
 3J0  plan-4  H2   0.020
 3J0  plan-4  H10  0.020
 3J0  plan-4  H11  0.020
 3J0  plan-5  C20  0.020
 3J0  plan-5  C21  0.020
 3J0  plan-5  C22  0.020
 3J0  plan-5  C24  0.020
 3J0  plan-5  C18  0.020
 3J0  plan-5  C19  0.020
 3J0  plan-5  C23  0.020
 3J0  plan-5  C25  0.020
 3J0  plan-5  H3   0.020
 3J0  plan-5  H4   0.020
 3J0  plan-5  H5   0.020
 3J0  plan-5  H15  0.020
 3J0  plan-6  N29  0.020
 3J0  plan-6  C30  0.020
 3J0  plan-6  C31  0.020
 3J0  plan-6  C32  0.020
 3J0  plan-6  C33  0.020
 3J0  plan-6  C34  0.020
 3J0  plan-6  C35  0.020
 3J0  plan-6  CL6  0.020
 3J0  plan-6  CL7  0.020
 3J0  plan-6  H16  0.020
 3J0  plan-6  H17  0.020
 3J0  plan-6  H18  0.020
 3J0  plan-7  C27  0.020
 3J0  plan-7  C38  0.020
 3J0  plan-7  O39  0.020
 3J0  plan-7  O40  0.020
 3J0  plan-7  H19  0.020
 3J0  plan-8  O01  0.020
 3J0  plan-8  C03  0.020
 3J0  plan-8  O04  0.020
 3J0  plan-8  H7   0.020
 3J0  plan-8  C02  0.020

