# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat May  9 16:51:54 2020
#   Inital geometry file: a 148 line input string
#   Ligand name: 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1ncnc2n(cnc12)[C@@H]3O[C@@H](CSCCNC[C@@H]4Cc5ccc(cc5CN4)[N+]([O-])=O)[C@@H](O)[C@H]3O
#
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
 JIL  JIL  9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine  ligand  64  36  .  2021-08-12  2021-08-12  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_JIL
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
 JIL  O01   O  OH1    0  -0.668    4.3626   3.6707   0.5665
 JIL  C02   C  CR15   0  -0.011    4.2810   2.9249  -0.6169
 JIL  C03   C  CR15   0  -0.062    5.6190   2.2588  -0.9402
 JIL  C04   C  CR15   0   0.206    5.6271   1.0857   0.0505
 JIL  O05   O  O      0  -0.493    4.2865   0.7706   0.2970
 JIL  C06   C  CR15   0   0.033    3.4316   1.6829  -0.3989
 JIL  C07   C  CH2    0  -0.571    2.1551   1.8766   0.3818
 JIL  S08   S  S2     0  -0.031    1.3239   0.2728   0.6027
 JIL  C09   C  CH2    0  -0.564   -0.3968   0.8373   0.7229
 JIL  C10   C  CH2    0  -0.249   -1.3153  -0.3571   0.9309
 JIL  N11   N  NH1    0  -0.604   -2.6927   0.0907   0.9628
 JIL  C12   C  CH2    0  -0.261   -3.6635  -0.9840   1.0195
 JIL  C13   C  CH1    0  -0.111   -5.0658  -0.4432   0.7927
 JIL  N14   N  NH1    0  -0.604   -5.1492   0.1643  -0.5219
 JIL  C15   C  CH2    0  -0.339   -6.3706   0.9203  -0.6763
 JIL  C16   C  CR6    0   0.060   -7.5696   0.0492  -0.4137
 JIL  C17   C  CR16   0  -0.311   -8.8155   0.4254  -0.8956
 JIL  C18   C  CR6    0   0.249   -9.9214  -0.3663  -0.6343
 JIL  N19   N  N      1   0.327  -11.2174   0.0341  -1.1507
 JIL  O20   O  O      0  -0.384  -11.2876   1.0570  -1.7926
 JIL  O21   O  O     -1  -0.383  -12.1688  -0.6746  -0.9147
 JIL  C22   C  CR16   0  -0.270   -9.8170  -1.5356   0.1081
 JIL  C23   C  CR16   0  -0.293   -8.5738  -1.8970   0.5867
 JIL  C24   C  CR6    0   0.096   -7.4414  -1.1210   0.3381
 JIL  C25   C  CH2    0  -0.474   -6.1025  -1.5540   0.8657
 JIL  N26   N  NR5    0  -0.538    6.3218  -0.0761  -0.4521
 JIL  C27   C  CR56   0   0.492    7.4469  -0.6484   0.0685
 JIL  C28   C  CR56   0  -0.012    7.7071  -1.7401  -0.7449
 JIL  N29   N  N      0  -0.449    6.7658  -1.8459  -1.7364
 JIL  C30   C  CR15   0   0.111    5.9652  -0.8442  -1.5282
 JIL  C31   C  CR6    0   0.458    8.8361  -2.5101  -0.4132
 JIL  N32   N  NH2    0  -0.816    9.2132  -3.5796  -1.1167
 JIL  N33   N  N      0  -0.474    9.5602  -2.1363   0.6476
 JIL  C34   C  CR16   0   0.047    9.1884  -1.0627   1.3398
 JIL  N35   N  N      0  -0.457    8.1571  -0.2638   1.1261
 JIL  O36   O  OH1    0  -0.652    6.7465   3.0552  -0.7330
 JIL  H011  H  HOH1   0   0.452    5.1853   4.1741   0.5458
 JIL  H021  H  HCR5   0   0.251    3.8996   3.5191  -1.4569
 JIL  H031  H  HCR5   0   0.259    5.5768   1.8742  -1.9675
 JIL  H041  H  HCR5   0   0.270    6.1383   1.3683   0.9759
 JIL  H061  H  HCR5   0   0.245    3.1758   1.2693  -1.3838
 JIL  H071  H  HCH2   0   0.277    2.3399   2.3405   1.3502
 JIL  H072  H  HCH2   0   0.280    1.4950   2.5278  -0.1939
 JIL  H091  H  HCH2   0   0.263   -0.4908   1.5372   1.5562
 JIL  H092  H  HCH2   0   0.263   -0.6731   1.3580  -0.1952
 JIL  H101  H  HCH2   0   0.232   -1.2009  -1.0526   0.0951
 JIL  H102  H  HCH2   0   0.206   -1.0147  -0.9006   1.8387
 JIL  H111  H  HNH1   0   0.346   -2.8251   0.6986   1.7632
 JIL  H121  H  HCH2   0   0.223   -3.4353  -1.6984   0.2225
 JIL  H122  H  HCH2   0   0.209   -3.6392  -1.5463   1.9651
 JIL  H131  H  HCH1   0   0.208   -5.2861   0.2904   1.5908
 JIL  H141  H  HNH1   0   0.354   -4.3517   0.7769  -0.6455
 JIL  H151  H  HCH2   0   0.224   -6.4237   1.7856   0.0051
 JIL  H152  H  HCH2   0   0.255   -6.4236   1.3211  -1.6908
 JIL  H171  H  HCR6   0   0.286   -8.9089   1.3331  -1.4770
 JIL  H221  H  HCR6   0   0.292  -10.6787  -2.1534   0.3142
 JIL  H231  H  HCR6   0   0.265   -8.4783  -2.8039   1.1709
 JIL  H251  H  HCH2   0   0.255   -5.7575  -2.4116   0.2771
 JIL  H252  H  HCH2   0   0.256   -6.2097  -1.9090   1.8935
 JIL  H301  H  HCR5   0   0.297    5.0921  -0.6184  -2.1230
 JIL  H321  H  HNH2   0   0.411    8.6439  -3.9318  -1.8660
 JIL  H322  H  HNH2   0   0.403    9.9775  -4.1477  -0.7945
 JIL  H341  H  HCR6   0   0.252    9.8168  -0.8146   2.1887
 JIL  H361  H  HOH1   0   0.470    6.8907   3.5986  -1.5144

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
 JIL  O01  C02   single    1.401  0.020  1.401
 JIL  C02  C03   single    1.529  0.020  1.529
 JIL  C02  C06   single    1.520  0.020  1.520
 JIL  C03  C04   single    1.536  0.020  1.536
 JIL  C03  O36   single    1.396  0.020  1.396
 JIL  C04  O05   single    1.399  0.020  1.399
 JIL  C04  N26   single    1.444  0.020  1.444
 JIL  O05  C06   single    1.431  0.020  1.431
 JIL  C06  C07   single    1.509  0.020  1.509
 JIL  C07  S08   single    1.820  0.020  1.820
 JIL  S08  C09   single    1.815  0.020  1.815
 JIL  C09  C10   single    1.521  0.020  1.521
 JIL  C10  N11   single    1.449  0.020  1.449
 JIL  N11  C12   single    1.449  0.020  1.449
 JIL  C12  C13   single    1.520  0.020  1.520
 JIL  C13  N14   single    1.451  0.020  1.451
 JIL  C13  C25   single    1.521  0.020  1.521
 JIL  N14  C15   single    1.445  0.020  1.445
 JIL  C15  C16   single    1.505  0.020  1.505
 JIL  C16  C17   aromatic  1.388  0.020  1.388
 JIL  C16  C24   aromatic  1.397  0.020  1.397
 JIL  C17  C18   aromatic  1.385  0.020  1.385
 JIL  C18  N19   single    1.451  0.020  1.451
 JIL  C18  C22   aromatic  1.389  0.020  1.389
 JIL  N19  O20   double    1.210  0.020  1.210
 JIL  N19  O21   single    1.210  0.020  1.210
 JIL  C22  C23   aromatic  1.380  0.020  1.380
 JIL  C23  C24   aromatic  1.395  0.020  1.395
 JIL  C24  C25   single    1.503  0.020  1.503
 JIL  N26  C27   aromatic  1.365  0.020  1.365
 JIL  N26  C30   aromatic  1.369  0.020  1.369
 JIL  C27  C28   aromatic  1.386  0.020  1.386
 JIL  C27  N35   aromatic  1.331  0.020  1.331
 JIL  C28  N29   aromatic  1.371  0.020  1.371
 JIL  C28  C31   aromatic  1.406  0.020  1.406
 JIL  N29  C30   aromatic  1.299  0.020  1.299
 JIL  C31  N32   single    1.335  0.020  1.335
 JIL  C31  N33   aromatic  1.338  0.020  1.338
 JIL  N33  C34   aromatic  1.330  0.020  1.330
 JIL  C34  N35   aromatic  1.322  0.020  1.322
 JIL  O01  H011  single    0.850  0.020  0.980
 JIL  C02  H021  single    0.970  0.020  1.090
 JIL  C03  H031  single    0.970  0.020  1.090
 JIL  C04  H041  single    0.970  0.020  1.090
 JIL  C06  H061  single    0.970  0.020  1.090
 JIL  C07  H071  single    0.970  0.020  1.090
 JIL  C07  H072  single    0.970  0.020  1.090
 JIL  C09  H091  single    0.970  0.020  1.090
 JIL  C09  H092  single    0.970  0.020  1.090
 JIL  C10  H101  single    0.970  0.020  1.090
 JIL  C10  H102  single    0.970  0.020  1.090
 JIL  N11  H111  single    0.890  0.020  1.040
 JIL  C12  H121  single    0.970  0.020  1.090
 JIL  C12  H122  single    0.970  0.020  1.090
 JIL  C13  H131  single    0.970  0.020  1.090
 JIL  N14  H141  single    0.890  0.020  1.040
 JIL  C15  H151  single    0.970  0.020  1.090
 JIL  C15  H152  single    0.970  0.020  1.090
 JIL  C17  H171  single    0.930  0.020  1.080
 JIL  C22  H221  single    0.930  0.020  1.080
 JIL  C23  H231  single    0.930  0.020  1.080
 JIL  C25  H251  single    0.970  0.020  1.090
 JIL  C25  H252  single    0.970  0.020  1.090
 JIL  C30  H301  single    0.930  0.020  1.080
 JIL  N32  H321  single    0.860  0.020  1.020
 JIL  N32  H322  single    0.860  0.020  1.020
 JIL  C34  H341  single    0.930  0.020  1.080
 JIL  O36  H361  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
 JIL  H011  O01  C02   108.01  3.000
 JIL  H021  C02  C06   110.97  3.000
 JIL  H021  C02  C03   112.22  3.000
 JIL  C06   C02  C03    99.40  3.000
 JIL  H021  C02  O01   112.25  3.000
 JIL  C06   C02  O01   110.26  3.000
 JIL  C03   C02  O01   111.06  3.000
 JIL  H031  C03  O36   111.71  3.000
 JIL  H031  C03  C04   109.65  3.000
 JIL  O36   C03  C04   109.63  3.000
 JIL  H031  C03  C02   108.47  3.000
 JIL  O36   C03  C02   115.27  3.000
 JIL  C04   C03  C02   101.60  3.000
 JIL  H041  C04  N26   106.10  3.000
 JIL  H041  C04  O05   110.91  3.000
 JIL  N26   C04  O05   109.95  3.000
 JIL  H041  C04  C03   110.53  3.000
 JIL  N26   C04  C03   113.12  3.000
 JIL  O05   C04  C03   106.30  3.000
 JIL  C06   O05  C04   110.07  3.000
 JIL  H061  C06  C07   108.37  3.000
 JIL  H061  C06  O05   109.58  3.000
 JIL  C07   C06  O05   109.61  3.000
 JIL  H061  C06  C02   108.01  3.000
 JIL  C07   C06  C02   116.23  3.000
 JIL  O05   C06  C02   104.88  3.000
 JIL  H072  C07  H071  108.50  3.000
 JIL  H072  C07  S08   108.28  3.000
 JIL  H071  C07  S08   110.17  3.000
 JIL  H072  C07  C06   108.38  3.000
 JIL  H071  C07  C06   111.78  3.000
 JIL  S08   C07  C06   109.64  3.000
 JIL  C09   S08  C07    99.61  3.000
 JIL  H092  C09  H091  108.32  3.000
 JIL  H092  C09  C10   109.68  3.000
 JIL  H091  C09  C10   110.30  3.000
 JIL  H092  C09  S08   109.44  3.000
 JIL  H091  C09  S08   109.36  3.000
 JIL  C10   C09  S08   109.72  3.000
 JIL  H102  C10  H101  106.74  3.000
 JIL  H102  C10  N11   113.22  3.000
 JIL  H101  C10  N11   108.24  3.000
 JIL  H102  C10  C09   109.62  3.000
 JIL  H101  C10  C09   109.38  3.000
 JIL  N11   C10  C09   109.54  3.000
 JIL  H111  N11  C12   109.05  3.000
 JIL  H111  N11  C10   109.08  3.000
 JIL  C12   N11  C10   114.11  3.000
 JIL  H122  C12  H121  106.72  3.000
 JIL  H122  C12  C13   109.29  3.000
 JIL  H121  C12  C13   108.41  3.000
 JIL  H122  C12  N11   113.44  3.000
 JIL  H121  C12  N11   108.42  3.000
 JIL  C13   C12  N11   110.38  3.000
 JIL  H131  C13  C25   108.29  3.000
 JIL  H131  C13  N14   111.39  3.000
 JIL  C25   C13  N14   108.07  3.000
 JIL  H131  C13  C12   108.18  3.000
 JIL  C25   C13  C12   111.21  3.000
 JIL  N14   C13  C12   109.71  3.000
 JIL  H141  N14  C15   109.64  3.000
 JIL  H141  N14  C13   108.57  3.000
 JIL  C15   N14  C13   111.38  3.000
 JIL  H152  C15  H151  106.48  3.000
 JIL  H152  C15  C16   109.62  3.000
 JIL  H151  C15  C16   107.94  3.000
 JIL  H152  C15  N14   109.41  3.000
 JIL  H151  C15  N14   112.66  3.000
 JIL  C16   C15  N14   110.61  3.000
 JIL  C24   C16  C17   119.76  3.000
 JIL  C24   C16  C15   120.38  3.000
 JIL  C17   C16  C15   119.85  3.000
 JIL  H171  C17  C18   120.79  3.000
 JIL  H171  C17  C16   119.44  3.000
 JIL  C18   C17  C16   119.77  3.000
 JIL  C22   C18  N19   119.31  3.000
 JIL  C22   C18  C17   121.47  3.000
 JIL  N19   C18  C17   119.22  3.000
 JIL  O21   N19  O20   123.60  3.000
 JIL  O21   N19  C18   118.12  3.000
 JIL  O20   N19  C18   118.28  3.000
 JIL  H221  C22  C23   120.18  3.000
 JIL  H221  C22  C18   121.56  3.000
 JIL  C23   C22  C18   118.26  3.000
 JIL  H231  C23  C24   119.37  3.000
 JIL  H231  C23  C22   119.06  3.000
 JIL  C24   C23  C22   121.58  3.000
 JIL  C25   C24  C23   120.02  3.000
 JIL  C25   C24  C16   120.80  3.000
 JIL  C23   C24  C16   119.18  3.000
 JIL  H252  C25  H251  106.37  3.000
 JIL  H252  C25  C24   109.67  3.000
 JIL  H251  C25  C24   108.51  3.000
 JIL  H252  C25  C13   110.44  3.000
 JIL  H251  C25  C13   109.33  3.000
 JIL  C24   C25  C13   112.33  3.000
 JIL  C30   N26  C27   106.21  3.000
 JIL  C30   N26  C04   126.84  3.000
 JIL  C27   N26  C04   126.94  3.000
 JIL  N35   C27  C28   126.43  3.000
 JIL  N35   C27  N26   128.44  3.000
 JIL  C28   C27  N26   105.13  3.000
 JIL  C31   C28  N29   132.80  3.000
 JIL  C31   C28  C27   116.33  3.000
 JIL  N29   C28  C27   110.87  3.000
 JIL  C30   N29  C28   104.34  3.000
 JIL  H301  C30  N29   124.82  3.000
 JIL  H301  C30  N26   121.73  3.000
 JIL  N29   C30  N26   113.45  3.000
 JIL  N33   C31  N32   119.28  3.000
 JIL  N33   C31  C28   117.95  3.000
 JIL  N32   C31  C28   122.77  3.000
 JIL  H322  N32  H321  118.14  3.000
 JIL  H322  N32  C31   119.91  3.000
 JIL  H321  N32  C31   120.93  3.000
 JIL  C34   N33  C31   119.13  3.000
 JIL  H341  C34  N35   116.11  3.000
 JIL  H341  C34  N33   115.45  3.000
 JIL  N35   C34  N33   128.43  3.000
 JIL  C34   N35  C27   111.73  3.000
 JIL  H361  O36  C03   108.82  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
 JIL  CONST_01  C22   C18  C17  C16     0.00   0.0  0
 JIL  CONST_02  C22   C23  C24  C16     0.00   0.0  0
 JIL  CONST_03  C23   C24  C16  C17     0.00   0.0  0
 JIL  CONST_04  C23   C22  C18  C17     0.00   0.0  0
 JIL  CONST_05  C24   C16  C17  C18     0.00   0.0  0
 JIL  CONST_06  C24   C23  C22  C18     0.00   0.0  0
 JIL  CONST_07  N29   C28  C27  N26     0.00   0.0  0
 JIL  CONST_08  C31   C28  C27  N26   180.00   0.0  0
 JIL  CONST_09  C34   N35  C27  N26   180.00   0.0  0
 JIL  CONST_10  C28   N29  C30  N26     0.00   0.0  0
 JIL  CONST_11  N29   C30  N26  C27     0.00   0.0  0
 JIL  CONST_12  C30   N29  C28  C27     0.00   0.0  0
 JIL  CONST_13  N33   C31  C28  C27     0.00   0.0  0
 JIL  CONST_14  N33   C34  N35  C27     0.00   0.0  0
 JIL  CONST_15  C30   N26  C27  C28     0.00   0.0  0
 JIL  CONST_16  C34   N35  C27  C28     0.00   0.0  0
 JIL  CONST_17  C34   N33  C31  C28     0.00   0.0  0
 JIL  CONST_18  N35   C27  C28  N29   180.00   0.0  0
 JIL  CONST_19  N33   C31  C28  N29   180.00   0.0  0
 JIL  CONST_20  N35   C27  N26  C30   180.00   0.0  0
 JIL  CONST_21  C31   C28  N29  C30   180.00   0.0  0
 JIL  CONST_22  N35   C27  C28  C31     0.00   0.0  0
 JIL  CONST_23  N35   C34  N33  C31     0.00   0.0  0
 JIL  CONST_24  C28   C27  N26  C04   180.00   0.0  0
 JIL  CONST_25  N35   C27  N26  C04     0.00   0.0  0
 JIL  CONST_26  N29   C30  N26  C04   180.00   0.0  0
 JIL  CONST_27  N19   C18  C17  C16   180.00   0.0  0
 JIL  CONST_28  C23   C22  C18  N19   180.00   0.0  0
 JIL  CONST_29  N32   C31  C28  C27   180.00   0.0  0
 JIL  CONST_30  N32   C31  C28  N29     0.00   0.0  0
 JIL  CONST_31  C34   N33  C31  N32   180.00   0.0  0
 JIL  CONST_32  H301  C30  N26  C04     0.00   0.0  0
 JIL  CONST_33  H171  C17  C16  C15     0.00   0.0  0
 JIL  CONST_34  H231  C23  C24  C16   180.00   0.0  0
 JIL  CONST_35  H221  C22  C18  C17   180.00   0.0  0
 JIL  CONST_36  H341  C34  N35  C27   180.00   0.0  0
 JIL  CONST_37  O20   N19  C18  C17     0.00   0.0  0
 JIL  CONST_38  O21   N19  C18  C17   180.00   0.0  0
 JIL  CONST_39  C22   C18  N19  O20   180.00   0.0  0
 JIL  CONST_40  C22   C18  N19  O21     0.00   0.0  0
 JIL  CONST_41  H321  N32  C31  C28     0.00   0.0  0
 JIL  CONST_42  H322  N32  C31  C28   180.00   0.0  0
 JIL  Var_01    C16   C15  N14  C13   -56.35  30.0  1
 JIL  Var_02    C16   C24  C25  C13    14.38  30.0  1
 JIL  Var_03    C17   C16  C15  N14  -159.98  30.0  1
 JIL  Var_04    C13   C12  N11  C10  -169.60  30.0  3
 JIL  Var_05    C10   C09  S08  C07  -179.45  30.0  3
 JIL  Var_06    N11   C10  C09  S08  -177.31  30.0  3
 JIL  Var_07    C12   N11  C10  C09   174.00  30.0  3
 JIL  Var_08    H071  C07  S08  C09    84.54  30.0  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
 JIL  chir_01  C02  O01  C03  C06  negativ
 JIL  chir_02  C03  O36  C04  C02  negativ
 JIL  chir_03  C04  O05  N26  C03  negativ
 JIL  chir_04  C06  O05  C02  C07  positiv
 JIL  chir_05  C13  C12  N14  C25  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
 JIL  plan-1  C04   0.020
 JIL  plan-1  N26   0.020
 JIL  plan-1  C27   0.020
 JIL  plan-1  C28   0.020
 JIL  plan-1  N29   0.020
 JIL  plan-1  C30   0.020
 JIL  plan-1  C31   0.020
 JIL  plan-1  N32   0.020
 JIL  plan-1  N33   0.020
 JIL  plan-1  C34   0.020
 JIL  plan-1  N35   0.020
 JIL  plan-1  H301  0.020
 JIL  plan-1  H341  0.020
 JIL  plan-2  C15   0.020
 JIL  plan-2  C16   0.020
 JIL  plan-2  C17   0.020
 JIL  plan-2  C18   0.020
 JIL  plan-2  N19   0.020
 JIL  plan-2  C22   0.020
 JIL  plan-2  C23   0.020
 JIL  plan-2  C24   0.020
 JIL  plan-2  C25   0.020
 JIL  plan-2  H171  0.020
 JIL  plan-2  H221  0.020
 JIL  plan-2  H231  0.020
 JIL  plan-3  C18   0.020
 JIL  plan-3  N19   0.020
 JIL  plan-3  O20   0.020
 JIL  plan-3  O21   0.020
 JIL  plan-4  C31   0.020
 JIL  plan-4  N32   0.020
 JIL  plan-4  H321  0.020
 JIL  plan-4  H322  0.020

