# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Aug  3 22:47:54 2022
#   Inital geometry file: a 127 line input string
#   Ligand name: 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@@H]1COCCN1c2cc(nc(n2)c3ccnc4[nH]ccc34)C5(CC5)[S@](C)(N)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
 VJM  VJM  "4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine"
  ligand  55  29  .  2022-08-11  2022-08-11
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_VJM
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
 VJM  C01   C  CH3   0  -0.661  17.1217  20.5331  67.4077
 VJM  C02   C  CH1   0  -0.154  17.3703  20.5235  65.9024
 VJM  C03   C  CH2   0  -0.182  16.1966  21.0785  65.1089
 VJM  C05   C  CH2   0  -0.183  15.4023  18.9866  64.5651
 VJM  C06   C  CH2   0  -0.327  16.5382  18.2903  65.2934
 VJM  C08   C  CR6   0   0.587  18.9399  18.6844  65.5506
 VJM  C10   C  CR6   0   0.325  21.1579  19.1087  65.8778
 VJM  C12   C  CR6   0   0.377  20.5703  16.9419  65.5655
 VJM  C13   C  CR16  0  -0.441  19.2452  17.3171  65.4464
 VJM  C14   C  CT    0  -0.340  20.9677  15.5252  65.5036
 VJM  C15   C  CH2   0  -0.466  20.5199  14.6563  64.3783
 VJM  C16   C  CH2   0  -0.477  21.9612  15.0644  64.4959
 VJM  C20   C  CH3   0  -0.766  22.4071  15.5607  67.8139
 VJM  C21   C  CR6   0   0.085  22.2292  20.1007  66.1323
 VJM  C22   C  CR56  0   0.010  22.0850  21.4725  65.8790
 VJM  C23   C  CR15  0  -0.488  21.0830  22.3390  65.3454
 VJM  C24   C  CR15  0   0.007  21.6140  23.5965  65.3387
 VJM  C26   C  CR56  0   0.462  23.2069  22.2936  66.1713
 VJM  C28   C  CR16  0  -0.081  24.4685  20.6084  66.9046
 VJM  C29   C  CR16  0  -0.406  23.4529  19.6878  66.6485
 VJM  N07   N  NT    0  -0.514  17.6809  19.1779  65.4178
 VJM  N09   N  N     0  -0.501  19.9209  19.5659  65.7815
 VJM  N11   N  N     0  -0.468  21.5371  17.8448  65.7755
 VJM  N18   N  NH2   0  -0.982  21.2345  13.4640  68.7302
 VJM  N25   N  NR15  0  -0.665  22.8846  23.5720  65.8362
 VJM  N27   N  N     0  -0.421  24.3675  21.9092  66.6720
 VJM  O04   O  O2    0  -0.473  15.0780  20.2250  65.1469
 VJM  O19   O  OH1   0  -0.716  19.6334  14.9758  67.4703
 VJM  S17   S  S     0   0.740  21.1735  14.4523  67.1132
 VJM  H011  H  HCH3  0   0.236  17.9864  20.1420  67.9442
 VJM  H013  H  HCH3  0   0.234  16.9499  21.5529  67.7547
 VJM  H012  H  HCH3  0   0.229  16.2520  19.9377  67.6863
 VJM  H021  H  HCH1  0   0.285  18.2245  21.1620  65.6863
 VJM  H031  H  HCH2  0   0.217  16.5110  21.2504  64.0693
 VJM  H032  H  HCH2  0   0.240  15.8959  22.0388  65.5309
 VJM  H052  H  HCH2  0   0.245  14.5127  18.3565  64.6002
 VJM  H051  H  HCH2  0   0.207  15.6794  19.1211  63.5099
 VJM  H062  H  HCH2  0   0.240  16.2040  17.9354  66.2756
 VJM  H061  H  HCH2  0   0.265  16.8060  17.4140  64.7059
 VJM  H131  H  HCR6  0   0.266  18.4954  16.5583  65.2891
 VJM  H152  H  HCH2  0   0.249  19.9266  15.0990  63.5870
 VJM  H151  H  HCH2  0   0.243  20.2644  13.6233  64.5951
 VJM  H161  H  HCH2  0   0.244  22.6811  14.3075  64.7990
 VJM  H162  H  HCH2  0   0.251  22.3556  15.7844  63.7891
 VJM  H201  H  HCH3  0   0.286  23.1003  14.9656  68.3993
 VJM  H203  H  HCH3  0   0.295  22.9095  16.0938  67.0136
 VJM  H231  H  HCR5  0   0.261  20.0979  22.0717  65.0083
 VJM  H241  H  HCR5  0   0.287  21.1728  24.5241  65.0112
 VJM  H281  H  HCR6  0   0.254  25.4093  20.2636  67.3185
 VJM  H291  H  HCR6  0   0.265  23.6250  18.6432  66.8639
 VJM  H1    H  HNH2  0   0.334  20.9836  13.9684  69.5788
 VJM  H181  H  HNH2  0   0.339  20.5908  12.6814  68.6488
 VJM  H251  H  HNR5  0   0.409  23.4926  24.3687  65.9352
 VJM  H2    H  HOH1  0   0.455  19.3574  14.5097  68.2730
 VJM  H202  H  HCH3  0   0.284  21.9013  16.2798  68.4581

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
 VJM  C05  O04   single    1.406  0.020  1.406
 VJM  C05  C06   single    1.518  0.020  1.518
 VJM  C03  O04   single    1.408  0.020  1.408
 VJM  C03  C02   single    1.522  0.020  1.522
 VJM  C06  N07   single    1.452  0.020  1.452
 VJM  C16  C15   single    1.503  0.020  1.503
 VJM  C16  C14   single    1.488  0.020  1.488
 VJM  N07  C02   single    1.464  0.020  1.464
 VJM  N07  C08   single    1.359  0.020  1.359
 VJM  C02  C01   single    1.526  0.020  1.526
 VJM  C08  C13   aromatic  1.405  0.020  1.405
 VJM  C08  N09   aromatic  1.339  0.020  1.339
 VJM  C23  C24   aromatic  1.365  0.020  1.365
 VJM  C23  C22   aromatic  1.428  0.020  1.428
 VJM  C24  N25   aromatic  1.365  0.020  1.365
 VJM  C13  C12   aromatic  1.382  0.020  1.382
 VJM  C15  C14   single    1.491  0.020  1.491
 VJM  N09  C10   aromatic  1.322  0.020  1.322
 VJM  C12  C14   single    1.473  0.020  1.473
 VJM  C12  N11   aromatic  1.339  0.020  1.339
 VJM  C14  S17   single    1.945  0.020  1.945
 VJM  C10  N11   aromatic  1.324  0.020  1.324
 VJM  C10  C21   single    1.482  0.020  1.482
 VJM  N25  C26   aromatic  1.360  0.020  1.360
 VJM  C22  C21   aromatic  1.402  0.020  1.402
 VJM  C22  C26   aromatic  1.421  0.020  1.421
 VJM  C21  C29   aromatic  1.391  0.020  1.391
 VJM  C26  N27   aromatic  1.321  0.020  1.321
 VJM  C20  S17   single    1.800  0.020  1.800
 VJM  S17  N18   single    1.896  0.020  1.896
 VJM  S17  O19   single    1.665  0.020  1.665
 VJM  C29  C28   aromatic  1.394  0.020  1.394
 VJM  N27  C28   aromatic  1.325  0.020  1.325
 VJM  C01  H011  single    0.970  0.020  1.090
 VJM  C01  H013  single    0.970  0.020  1.090
 VJM  C01  H012  single    0.970  0.020  1.090
 VJM  C02  H021  single    0.970  0.020  1.090
 VJM  C03  H031  single    0.970  0.020  1.090
 VJM  C03  H032  single    0.970  0.020  1.090
 VJM  C05  H052  single    0.970  0.020  1.090
 VJM  C05  H051  single    0.970  0.020  1.090
 VJM  C06  H062  single    0.970  0.020  1.090
 VJM  C06  H061  single    0.970  0.020  1.090
 VJM  C13  H131  single    0.930  0.020  1.080
 VJM  C15  H152  single    0.970  0.020  1.090
 VJM  C15  H151  single    0.970  0.020  1.090
 VJM  C16  H161  single    0.970  0.020  1.090
 VJM  C16  H162  single    0.970  0.020  1.090
 VJM  C20  H202  single    0.970  0.020  1.090
 VJM  C20  H201  single    0.970  0.020  1.090
 VJM  C20  H203  single    0.970  0.020  1.090
 VJM  C23  H231  single    0.930  0.020  1.080
 VJM  C24  H241  single    0.930  0.020  1.080
 VJM  C28  H281  single    0.930  0.020  1.080
 VJM  C29  H291  single    0.930  0.020  1.080
 VJM  N18  H1    single    0.890  0.020  1.040
 VJM  N18  H181  single    0.890  0.020  1.040
 VJM  N25  H251  single    0.860  0.020  1.020
 VJM  O19  H2    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
 VJM  H012  C01  H013  107.68  3.000
 VJM  H012  C01  H011  108.12  3.000
 VJM  H013  C01  H011  107.69  3.000
 VJM  H012  C01  C02   112.25  3.000
 VJM  H013  C01  C02   110.20  3.000
 VJM  H011  C01  C02   110.73  3.000
 VJM  H021  C02  N07   107.89  3.000
 VJM  H021  C02  C03   106.73  3.000
 VJM  N07   C02  C03   109.05  3.000
 VJM  H021  C02  C01   108.68  3.000
 VJM  N07   C02  C01   111.54  3.000
 VJM  C03   C02  C01   112.74  3.000
 VJM  H032  C03  H031  107.87  3.000
 VJM  H032  C03  O04   107.71  3.000
 VJM  H031  C03  O04   110.33  3.000
 VJM  H032  C03  C02   109.38  3.000
 VJM  H031  C03  C02   109.24  3.000
 VJM  O04   C03  C02   112.19  3.000
 VJM  H051  C05  H052  107.89  3.000
 VJM  H051  C05  O04   110.34  3.000
 VJM  H052  C05  O04   107.89  3.000
 VJM  H051  C05  C06   109.15  3.000
 VJM  H052  C05  C06   109.26  3.000
 VJM  O04   C05  C06   112.21  3.000
 VJM  H061  C06  H062  107.33  3.000
 VJM  H061  C06  N07   110.17  3.000
 VJM  H062  C06  N07   111.15  3.000
 VJM  H061  C06  C05   107.12  3.000
 VJM  H062  C06  C05   110.49  3.000
 VJM  N07   C06  C05   110.45  3.000
 VJM  N09   C08  N07   117.17  3.000
 VJM  N09   C08  C13   119.62  3.000
 VJM  N07   C08  C13   123.20  3.000
 VJM  N11   C10  N09   126.34  3.000
 VJM  N11   C10  C21   116.44  3.000
 VJM  N09   C10  C21   117.21  3.000
 VJM  N11   C12  C14   117.41  3.000
 VJM  N11   C12  C13   121.49  3.000
 VJM  C14   C12  C13   121.08  3.000
 VJM  H131  C13  C12   119.22  3.000
 VJM  H131  C13  C08   122.99  3.000
 VJM  C12   C13  C08   117.78  3.000
 VJM  S17   C14  C16   108.59  3.000
 VJM  S17   C14  C15   109.57  3.000
 VJM  C16   C14  C15    60.58  3.000
 VJM  S17   C14  C12   121.62  3.000
 VJM  C15   C14  C12   120.76  3.000
 VJM  C16   C14  C12   120.43  3.000
 VJM  H151  C15  H152  113.93  3.000
 VJM  H151  C15  C16   117.93  3.000
 VJM  H152  C15  C16   118.13  3.000
 VJM  H151  C15  C14   118.32  3.000
 VJM  H152  C15  C14   118.53  3.000
 VJM  C16   C15  C14    59.63  3.000
 VJM  H162  C16  H161  113.79  3.000
 VJM  H162  C16  C15   118.60  3.000
 VJM  H161  C16  C15   117.89  3.000
 VJM  H162  C16  C14   118.62  3.000
 VJM  H161  C16  C14   117.95  3.000
 VJM  C15   C16  C14    59.79  3.000
 VJM  H203  C20  H201  111.82  3.000
 VJM  H203  C20  H202  109.07  3.000
 VJM  H201  C20  H202  109.85  3.000
 VJM  H203  C20  S17   109.43  3.000
 VJM  H201  C20  S17   108.06  3.000
 VJM  H202  C20  S17   108.55  3.000
 VJM  C29   C21  C22   116.61  3.000
 VJM  C29   C21  C10   120.07  3.000
 VJM  C22   C21  C10   123.32  3.000
 VJM  C26   C22  C23   106.28  3.000
 VJM  C26   C22  C21   116.55  3.000
 VJM  C23   C22  C21   137.15  3.000
 VJM  H231  C23  C24   125.73  3.000
 VJM  H231  C23  C22   127.54  3.000
 VJM  C24   C23  C22   106.73  3.000
 VJM  H241  C24  N25   120.48  3.000
 VJM  H241  C24  C23   129.41  3.000
 VJM  N25   C24  C23   110.10  3.000
 VJM  N27   C26  N25   125.09  3.000
 VJM  N27   C26  C22   127.12  3.000
 VJM  N25   C26  C22   107.78  3.000
 VJM  H281  C28  N27   116.44  3.000
 VJM  H281  C28  C29   119.49  3.000
 VJM  N27   C28  C29   124.07  3.000
 VJM  H291  C29  C28   119.06  3.000
 VJM  H291  C29  C21   120.08  3.000
 VJM  C28   C29  C21   120.86  3.000
 VJM  C08   N07  C06   121.03  3.000
 VJM  C08   N07  C02   119.88  3.000
 VJM  C06   N07  C02   115.04  3.000
 VJM  C10   N09  C08   118.06  3.000
 VJM  C12   N11  C10   116.69  3.000
 VJM  H181  N18  H1    106.98  3.000
 VJM  H181  N18  S17   108.22  3.000
 VJM  H1    N18  S17   116.38  3.000
 VJM  H251  N25  C26   125.19  3.000
 VJM  H251  N25  C24   125.71  3.000
 VJM  C26   N25  C24   109.10  3.000
 VJM  C28   N27  C26   114.78  3.000
 VJM  C05   O04  C03   109.85  3.000
 VJM  H2    O19  S17   106.86  3.000
 VJM  O19   S17  N18    90.62  3.000
 VJM  O19   S17  C20   110.90  3.000
 VJM  N18   S17  C20    88.11  3.000
 VJM  O19   S17  C14    84.62  3.000
 VJM  N18   S17  C14   175.21  3.000
 VJM  C20   S17  C14    93.15  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
 VJM  CONST_01  N11   C12  C13  C08     0.00   0.0  0
 VJM  CONST_02  N11   C10  N09  C08     0.00   0.0  0
 VJM  CONST_03  C21   C10  N09  C08   180.00   0.0  0
 VJM  CONST_04  C13   C08  N09  C10     0.00   0.0  0
 VJM  CONST_05  C13   C12  N11  C10     0.00   0.0  0
 VJM  CONST_06  C23   C22  C21  C10     0.00   0.0  0
 VJM  CONST_07  C26   C22  C21  C10   180.00   0.0  0
 VJM  CONST_08  C28   C29  C21  C10   180.00   0.0  0
 VJM  CONST_09  N09   C08  C13  C12     0.00   0.0  0
 VJM  CONST_10  N09   C10  N11  C12     0.00   0.0  0
 VJM  CONST_11  C21   C10  N11  C12   180.00   0.0  0
 VJM  CONST_12  C24   C23  C22  C21   180.00   0.0  0
 VJM  CONST_13  N25   C26  C22  C21   180.00   0.0  0
 VJM  CONST_14  N27   C26  C22  C21     0.00   0.0  0
 VJM  CONST_15  N27   C28  C29  C21     0.00   0.0  0
 VJM  CONST_16  N25   C24  C23  C22     0.00   0.0  0
 VJM  CONST_19  C28   C29  C21  C22     0.00   0.0  0
 VJM  CONST_20  C24   N25  C26  C22     0.00   0.0  0
 VJM  CONST_21  C28   N27  C26  C22     0.00   0.0  0
 VJM  CONST_22  C26   N25  C24  C23     0.00   0.0  0
 VJM  CONST_23  C29   C21  C22  C23   180.00   0.0  0
 VJM  CONST_24  N25   C26  C22  C23     0.00   0.0  0
 VJM  CONST_25  N27   C26  C22  C23   180.00   0.0  0
 VJM  CONST_26  C26   C22  C23  C24     0.00   0.0  0
 VJM  CONST_27  N27   C26  N25  C24   180.00   0.0  0
 VJM  CONST_28  C29   C21  C22  C26     0.00   0.0  0
 VJM  CONST_29  C29   C28  N27  C26     0.00   0.0  0
 VJM  CONST_30  N25   C26  N27  C28   180.00   0.0  0
 VJM  CONST_33  C14   C12  C13  C08   180.00   0.0  0
 VJM  CONST_34  N07   C08  N09  C10   180.00   0.0  0
 VJM  CONST_35  C14   C12  N11  C10   180.00   0.0  0
 VJM  CONST_36  N07   C08  C13  C12   180.00   0.0  0
 VJM  CONST_37  H291  C29  C21  C10     0.00   0.0  0
 VJM  CONST_38  H131  C13  C12  C14     0.00   0.0  0
 VJM  CONST_39  H231  C23  C22  C21     0.00   0.0  0
 VJM  CONST_40  H281  C28  C29  C21   180.00   0.0  0
 VJM  CONST_41  H241  C24  C23  C22   180.00   0.0  0
 VJM  CONST_42  H291  C29  C21  C22   180.00   0.0  0
 VJM  CONST_43  H251  N25  C26  C22   180.00   0.0  0
 VJM  CONST_44  H251  N25  C24  C23   180.00   0.0  0
 VJM  CONST_45  H241  C24  N25  C26   180.00   0.0  0
 VJM  CONST_46  H231  C23  C22  C26   180.00   0.0  0
 VJM  CONST_47  H281  C28  N27  C26   180.00   0.0  0
 VJM  CONST_48  H131  C13  C08  N07     0.00   0.0  0
 VJM  CONST_49  H131  C13  C08  N09   180.00   0.0  0
 VJM  CONST_50  H131  C13  C12  N11   180.00   0.0  0
 VJM  CONST_51  H231  C23  C24  N25   180.00   0.0  0
 VJM  CONST_52  H251  N25  C26  N27     0.00   0.0  0
 VJM  CONST_53  H291  C29  C28  N27   180.00   0.0  0
 VJM  Var_01    C05   O04  C03  C02   -61.79  30.0  1
 VJM  Var_02    C05   C06  N07  C02    47.87  30.0  1
 VJM  Var_03    C13   C08  N07  C02   162.70  30.0  2
 VJM  Var_04    N09   C08  N07  C02   -17.81  30.0  2
 VJM  Var_05    C06   C05  O04  C03    60.27  30.0  1
 VJM  Var_06    C08   N07  C06  C05  -154.80  30.0  1
 VJM  Var_07    C13   C08  N07  C06     6.44  30.0  2
 VJM  Var_08    N09   C08  N07  C06  -174.07  30.0  2
 VJM  Var_09    C15   C16  C14  C12  -110.47  30.0  1
 VJM  Var_10    C16   C14  C12  C13   123.18  30.0  2
 VJM  Var_11    C15   C14  C12  C13    51.44  30.0  2
 VJM  Var_12    N11   C12  C14  C15  -130.23  30.0  2
 VJM  Var_13    N11   C12  C14  C16   -58.49  30.0  2
 VJM  Var_14    O04   C05  C06  N07   -52.82  30.0  1
 VJM  Var_15    S17   C14  C12  C13   -94.07  30.0  2
 VJM  Var_16    S17   C14  C16  C15   102.48  30.0  1
 VJM  Var_17    S17   C14  C12  N11    84.26  30.0  2
 VJM  Var_18    H062  C06  N07  C02   -75.15  30.0  1
 VJM  Var_19    H061  C06  N07  C02   166.01  30.0  1
 VJM  Var_20    H052  C05  O04  C03  -179.32  30.0  1
 VJM  Var_21    H051  C05  O04  C03   -61.68  30.0  1
 VJM  Var_22    H031  C03  O04  C05    60.26  30.0  1
 VJM  Var_23    H032  C03  O04  C05   177.77  30.0  1
 VJM  Var_24    H062  C06  N07  C08    82.18  30.0  1
 VJM  Var_25    H061  C06  N07  C08   -36.66  30.0  1
 VJM  Var_26    H161  C16  C14  C12   141.85  30.0  1
 VJM  Var_27    H162  C16  C14  C12    -2.22  30.0  1
 VJM  Var_28    H152  C15  C14  C12     2.28  30.0  1
 VJM  Var_29    H151  C15  C14  C12  -142.55  30.0  1
 VJM  Var_30    H152  C15  C16  C14   108.33  30.0  1
 VJM  Var_31    H151  C15  C16  C14  -108.16  30.0  1
 VJM  Var_32    H161  C16  C15  C14   107.79  30.0  1
 VJM  Var_33    H162  C16  C15  C14  -108.29  30.0  1
 VJM  Var_34    H052  C05  C06  N07  -172.43  30.0  1
 VJM  Var_35    H051  C05  C06  N07    69.81  30.0  1
 VJM  Var_36    H062  C06  C05  O04    70.59  30.0  1
 VJM  Var_37    H061  C06  C05  O04  -172.81  30.0  1
 VJM  Var_38    H161  C16  C14  S17    -5.21  30.0  1
 VJM  Var_39    H162  C16  C14  S17  -149.27  30.0  1
 VJM  Var_40    H152  C15  C14  S17   151.50  30.0  1
 VJM  Var_41    H151  C15  C14  S17     6.67  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
 VJM  chir_01  C02  C03  N07  C01  positiv
 VJM  chir_03  S17  C14  N18  O19  negativ
 VJM  chir_04  C14  C15  C12  S17  both

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
 VJM  plan-1  C08   0.020
 VJM  plan-1  C10   0.020
 VJM  plan-1  C12   0.020
 VJM  plan-1  C13   0.020
 VJM  plan-1  C14   0.020
 VJM  plan-1  C21   0.020
 VJM  plan-1  N07   0.020
 VJM  plan-1  N09   0.020
 VJM  plan-1  N11   0.020
 VJM  plan-1  H131  0.020
 VJM  plan-2  C10   0.020
 VJM  plan-2  C21   0.020
 VJM  plan-2  C22   0.020
 VJM  plan-2  C23   0.020
 VJM  plan-2  C24   0.020
 VJM  plan-2  C26   0.020
 VJM  plan-2  C28   0.020
 VJM  plan-2  C29   0.020
 VJM  plan-2  N25   0.020
 VJM  plan-2  N27   0.020
 VJM  plan-2  H231  0.020
 VJM  plan-2  H241  0.020
 VJM  plan-2  H281  0.020
 VJM  plan-2  H291  0.020
 VJM  plan-2  H251  0.020

