# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr  4 05:11:55 2020
#   Inital geometry file: a 138 line input string
#   Ligand name: 1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cn1c(C)c(C)c2cc(Nc3nccc(n3)n4cc(CN5CC(O)C5)c(C)n4)ccc12
#
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
 4MG  4MG  1-[(3-methyl-1-{2-[(1,2,3-trimethyl-1H-indol-5-yl)amino]pyrimidin-4-yl}-1H-pyrazol-4-yl)methyl]azetidin-3-ol  ligand  58  31  .  2021-08-04  2021-08-04  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_4MG
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
 4MG  CAD  C  CH3   0  -0.535   7.5925  -2.4814  -0.3782
 4MG  NBD  N  NR5   0  -0.569   6.8079  -1.2839  -0.2127
 4MG  CAW  C  CR5   0   0.299   7.3085  -0.0150  -0.0186
 4MG  CAC  C  CH3   0  -0.753   8.7741   0.2354  -0.0411
 4MG  CAV  C  CR5   0  -0.086   6.2750   0.8668   0.1758
 4MG  CAB  C  CH3   0  -0.752   6.3475   2.3386   0.4069
 4MG  CAZ  C  CR56  0   0.091   5.0707   0.0990   0.1095
 4MG  CAJ  C  CR16  0  -0.435   3.7224   0.4454   0.2407
 4MG  CBA  C  CR56  0   0.335   5.4442  -1.2387  -0.1232
 4MG  CAI  C  CR16  0  -0.309   4.4885  -2.2459  -0.2170
 4MG  CAH  C  CR16  0  -0.368   3.1607  -1.8884  -0.0956
 4MG  CAS  C  CR6   0   0.350   2.7656  -0.5529   0.1308
 4MG  NAP  N  NH1   0  -0.764   1.3872  -0.3411   0.2805
 4MG  C2   C  CR6   0   0.606   0.6423   0.7715   0.0833
 4MG  N3   N  N     0  -0.511  -0.6688   0.6052   0.2973
 4MG  N1   N  N     0  -0.472   1.2217   1.9070  -0.2970
 4MG  C6   C  CR16  0   0.001   0.4091   2.9403  -0.4808
 4MG  C5   C  CR16  0  -0.427  -0.9566   2.8916  -0.2961
 4MG  C4   C  CR6   0   0.574  -1.4434   1.6498   0.1106
 4MG  NBE  N  NR5   0  -0.399  -2.7987   1.4510   0.3482
 4MG  CAK  C  CR15  0   0.061  -3.3988   0.3122   0.7839
 4MG  NAO  N  N     0  -0.306  -3.6778   2.4477   0.1663
 4MG  CAT  C  CR5   0   0.299  -4.8485   1.9473   0.4852
 4MG  CAA  C  CH3   0  -0.746  -6.0914   2.7617   0.4025
 4MG  CAU  C  CR5   0  -0.194  -4.7311   0.5892   0.8934
 4MG  CAL  C  CH2   0  -0.379  -5.8256  -0.3368   1.3089
 4MG  NBC  N  N     0  -0.411  -5.9620  -1.4329   0.3788
 4MG  CAN  C  C     0  -0.302  -6.4159  -1.1168  -0.9796
 4MG  CAM  C  C     0  -0.304  -7.0972  -2.3423   0.5653
 4MG  CBB  C  C     0   0.009  -7.2144  -2.4225  -0.9674
 4MG  OAE  O  OH1   0  -0.661  -8.4722  -2.3544  -1.5652
 4MG  H1   H  HCH3  0   0.247   7.8875  -2.9128   0.5800
 4MG  H2   H  HCH3  0   0.260   7.0195  -3.2230  -0.9298
 4MG  H3   H  HCH3  0   0.261   8.4911  -2.2667  -0.9520
 4MG  H4   H  HCH3  0   0.254   9.2147  -0.0084  -1.0102
 4MG  H5   H  HCH3  0   0.260   8.9850   1.2829   0.1612
 4MG  H6   H  HCH3  0   0.254   9.2987  -0.3568   0.7114
 4MG  H7   H  HCH3  0   0.234   5.8936   2.9008  -0.4127
 4MG  H8   H  HCH3  0   0.233   5.8194   2.6267   1.3187
 4MG  H9   H  HCH3  0   0.239   7.3751   2.6869   0.5072
 4MG  H10  H  HCR6  0   0.257   3.4394   1.4700   0.4266
 4MG  H11  H  HCR6  0   0.262   4.7567  -3.2816  -0.3823
 4MG  H12  H  HCR6  0   0.260   2.4005  -2.6562  -0.1741
 4MG  H13  H  HNH1  0   0.405   0.8399  -1.1628   0.4854
 4MG  H14  H  HCR6  0   0.276   0.8770   3.8666  -0.7946
 4MG  H15  H  HCR6  0   0.285  -1.5895   3.7495  -0.4515
 4MG  H16  H  HCR5  0   0.298  -2.8375  -0.5851   0.9824
 4MG  H17  H  HCH3  0   0.250  -6.8212   2.2984  -0.2633
 4MG  H18  H  HCH3  0   0.254  -6.5664   2.8592   1.3796
 4MG  H19  H  HCH3  0   0.258  -5.8766   3.7607   0.0278
 4MG  H20  H  HCH2  0   0.252  -5.6169  -0.7512   2.2992
 4MG  H21  H  HCH2  0   0.210  -6.7636   0.2344   1.4033
 4MG  H23  H  H     0   0.206  -7.0924  -0.2491  -1.0157
 4MG  H24  H  H     0   0.234  -5.6303  -0.9881  -1.7268
 4MG  H25  H  H     0   0.229  -6.8838  -3.2521   1.1313
 4MG  H26  H  H     0   0.205  -7.9795  -1.8468   0.9946
 4MG  H27  H  H     0   0.219  -6.6191  -3.2532  -1.3606
 4MG  H28  H  HOH1  0   0.456  -8.8424  -3.2414  -1.6000

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
 4MG  N1   C6   aromatic  1.327  0.020  1.327
 4MG  N1   C2   aromatic  1.330  0.020  1.330
 4MG  C6   C5   aromatic  1.379  0.020  1.379
 4MG  CAH  CAI  aromatic  1.380  0.020  1.380
 4MG  CAH  CAS  aromatic  1.411  0.020  1.411
 4MG  NAP  C2   single    1.353  0.020  1.353
 4MG  NAP  CAS  single    1.403  0.020  1.403
 4MG  C2   N3   aromatic  1.339  0.020  1.339
 4MG  CAI  CBA  aromatic  1.392  0.020  1.392
 4MG  CAS  CAJ  aromatic  1.387  0.020  1.387
 4MG  C5   C4   aromatic  1.394  0.020  1.394
 4MG  CBA  CAZ  aromatic  1.408  0.020  1.408
 4MG  CBA  NBD  aromatic  1.367  0.020  1.367
 4MG  N3   C4   aromatic  1.314  0.020  1.314
 4MG  CAJ  CAZ  aromatic  1.398  0.020  1.398
 4MG  CAD  NBD  single    1.441  0.020  1.441
 4MG  C4   NBE  single    1.390  0.020  1.390
 4MG  CAZ  CAV  aromatic  1.430  0.020  1.430
 4MG  NBD  CAW  aromatic  1.378  0.020  1.378
 4MG  NBE  NAO  aromatic  1.341  0.020  1.341
 4MG  NBE  CAK  aromatic  1.359  0.020  1.359
 4MG  CAW  CAV  aromatic  1.372  0.020  1.372
 4MG  CAW  CAC  single    1.487  0.020  1.487
 4MG  CAV  CAB  single    1.492  0.020  1.492
 4MG  NAO  CAT  aromatic  1.312  0.020  1.312
 4MG  CAN  CBB  single    1.531  0.020  1.531
 4MG  CAN  NBC  single    1.467  0.020  1.467
 4MG  CAK  CAU  aromatic  1.365  0.020  1.365
 4MG  OAE  CBB  single    1.394  0.020  1.394
 4MG  CBB  CAM  single    1.539  0.020  1.539
 4MG  CAT  CAU  aromatic  1.423  0.020  1.423
 4MG  CAT  CAA  single    1.488  0.020  1.488
 4MG  CAU  CAL  single    1.493  0.020  1.493
 4MG  NBC  CAM  single    1.466  0.020  1.466
 4MG  NBC  CAL  single    1.444  0.020  1.444
 4MG  CAD  H1   single    0.970  0.020  1.090
 4MG  CAD  H2   single    0.970  0.020  1.090
 4MG  CAD  H3   single    0.970  0.020  1.090
 4MG  CAC  H4   single    0.970  0.020  1.090
 4MG  CAC  H5   single    0.970  0.020  1.090
 4MG  CAC  H6   single    0.970  0.020  1.090
 4MG  CAB  H7   single    0.970  0.020  1.090
 4MG  CAB  H8   single    0.970  0.020  1.090
 4MG  CAB  H9   single    0.970  0.020  1.090
 4MG  CAJ  H10  single    0.930  0.020  1.080
 4MG  CAI  H11  single    0.930  0.020  1.080
 4MG  CAH  H12  single    0.930  0.020  1.080
 4MG  NAP  H13  single    0.860  0.020  1.020
 4MG  C6   H14  single    0.930  0.020  1.080
 4MG  C5   H15  single    0.930  0.020  1.080
 4MG  CAK  H16  single    0.930  0.020  1.080
 4MG  CAA  H17  single    0.970  0.020  1.090
 4MG  CAA  H18  single    0.970  0.020  1.090
 4MG  CAA  H19  single    0.970  0.020  1.090
 4MG  CAL  H20  single    0.970  0.020  1.090
 4MG  CAL  H21  single    0.970  0.020  1.090
 4MG  CAN  H23  single    0.970  0.020  1.090
 4MG  CAN  H24  single    0.970  0.020  1.090
 4MG  CAM  H25  single    0.970  0.020  1.090
 4MG  CAM  H26  single    0.970  0.020  1.090
 4MG  CBB  H27  single    0.970  0.020  1.090
 4MG  OAE  H28  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
 4MG  H3   CAD  H2   107.59  3.000
 4MG  H3   CAD  H1   108.53  3.000
 4MG  H2   CAD  H1   108.55  3.000
 4MG  H3   CAD  NBD  110.27  3.000
 4MG  H2   CAD  NBD  109.76  3.000
 4MG  H1   CAD  NBD  112.01  3.000
 4MG  CBA  NBD  CAW  108.83  3.000
 4MG  CAW  NBD  CAD  125.70  3.000
 4MG  CBA  NBD  CAD  125.31  3.000
 4MG  CAV  CAW  CAC  129.51  3.000
 4MG  CAC  CAW  NBD  120.73  3.000
 4MG  CAV  CAW  NBD  109.75  3.000
 4MG  H6   CAC  H5   107.52  3.000
 4MG  H6   CAC  H4   107.26  3.000
 4MG  H5   CAC  H4   107.57  3.000
 4MG  H6   CAC  CAW  111.83  3.000
 4MG  H5   CAC  CAW  110.52  3.000
 4MG  H4   CAC  CAW  111.93  3.000
 4MG  CAZ  CAV  CAB  125.31  3.000
 4MG  CAB  CAV  CAW  128.26  3.000
 4MG  CAZ  CAV  CAW  106.43  3.000
 4MG  H9   CAB  H8   107.14  3.000
 4MG  H9   CAB  H7   107.23  3.000
 4MG  H8   CAB  H7   106.83  3.000
 4MG  H9   CAB  CAV  112.06  3.000
 4MG  H8   CAB  CAV  111.47  3.000
 4MG  H7   CAB  CAV  111.80  3.000
 4MG  CBA  CAZ  CAJ  120.44  3.000
 4MG  CAJ  CAZ  CAV  132.44  3.000
 4MG  CBA  CAZ  CAV  107.12  3.000
 4MG  H10  CAJ  CAS  121.07  3.000
 4MG  H10  CAJ  CAZ  120.28  3.000
 4MG  CAS  CAJ  CAZ  118.65  3.000
 4MG  CAI  CBA  CAZ  121.10  3.000
 4MG  CAZ  CBA  NBD  107.87  3.000
 4MG  CAI  CBA  NBD  131.04  3.000
 4MG  H11  CAI  CAH  119.97  3.000
 4MG  H11  CAI  CBA  122.18  3.000
 4MG  CAH  CAI  CBA  117.85  3.000
 4MG  H12  CAH  CAS  119.07  3.000
 4MG  H12  CAH  CAI  119.02  3.000
 4MG  CAS  CAH  CAI  121.91  3.000
 4MG  NAP  CAS  CAH  115.80  3.000
 4MG  NAP  CAS  CAJ  124.11  3.000
 4MG  CAH  CAS  CAJ  120.05  3.000
 4MG  H13  NAP  C2   113.62  3.000
 4MG  H13  NAP  CAS  115.60  3.000
 4MG  C2   NAP  CAS  130.50  3.000
 4MG  N1   C2   N3   125.32  3.000
 4MG  N3   C2   NAP  114.43  3.000
 4MG  N1   C2   NAP  120.24  3.000
 4MG  C4   N3   C2   117.12  3.000
 4MG  C6   N1   C2   115.94  3.000
 4MG  H14  C6   C5   119.76  3.000
 4MG  H14  C6   N1   116.16  3.000
 4MG  C5   C6   N1   124.07  3.000
 4MG  H15  C5   C4   123.10  3.000
 4MG  H15  C5   C6   122.30  3.000
 4MG  C4   C5   C6   114.60  3.000
 4MG  NBE  C4   C5   121.17  3.000
 4MG  NBE  C4   N3   115.90  3.000
 4MG  C5   C4   N3   122.93  3.000
 4MG  NAO  NBE  CAK  112.13  3.000
 4MG  CAK  NBE  C4   127.24  3.000
 4MG  NAO  NBE  C4   120.63  3.000
 4MG  H16  CAK  CAU  131.53  3.000
 4MG  H16  CAK  NBE  121.81  3.000
 4MG  CAU  CAK  NBE  106.66  3.000
 4MG  CAT  NAO  NBE  105.57  3.000
 4MG  CAU  CAT  CAA  127.38  3.000
 4MG  CAA  CAT  NAO  121.52  3.000
 4MG  CAU  CAT  NAO  111.10  3.000
 4MG  H19  CAA  H18  108.20  3.000
 4MG  H19  CAA  H17  108.16  3.000
 4MG  H18  CAA  H17  107.06  3.000
 4MG  H19  CAA  CAT  110.89  3.000
 4MG  H18  CAA  CAT  111.27  3.000
 4MG  H17  CAA  CAT  111.11  3.000
 4MG  CAL  CAU  CAT  127.69  3.000
 4MG  CAL  CAU  CAK  127.74  3.000
 4MG  CAT  CAU  CAK  104.55  3.000
 4MG  H21  CAL  H20  106.33  3.000
 4MG  H21  CAL  NBC  111.60  3.000
 4MG  H20  CAL  NBC  108.28  3.000
 4MG  H21  CAL  CAU  109.05  3.000
 4MG  H20  CAL  CAU  110.32  3.000
 4MG  NBC  CAL  CAU  111.15  3.000
 4MG  CAM  NBC  CAN   90.68  3.000
 4MG  CAM  NBC  CAL  117.51  3.000
 4MG  CAN  NBC  CAL  117.53  3.000
 4MG  H24  CAN  H23  109.07  3.000
 4MG  H24  CAN  CBB  118.77  3.000
 4MG  H23  CAN  CBB  110.62  3.000
 4MG  H24  CAN  NBC  115.89  3.000
 4MG  H23  CAN  NBC  112.98  3.000
 4MG  CBB  CAN  NBC   88.29  3.000
 4MG  H26  CAM  H25  109.26  3.000
 4MG  H26  CAM  CBB  110.56  3.000
 4MG  H25  CAM  CBB  119.17  3.000
 4MG  H26  CAM  NBC  113.04  3.000
 4MG  H25  CAM  NBC  115.54  3.000
 4MG  CBB  CAM  NBC   87.97  3.000
 4MG  H27  CBB  OAE  111.94  3.000
 4MG  H27  CBB  CAM  110.83  3.000
 4MG  OAE  CBB  CAM  119.54  3.000
 4MG  H27  CBB  CAN  111.14  3.000
 4MG  CAM  CBB  CAN   85.63  3.000
 4MG  OAE  CBB  CAN  115.18  3.000
 4MG  H28  OAE  CBB  108.52  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
 4MG  CONST_01  CAH  CAI  CBA  NBD  180.00   0.0  0
 4MG  CONST_02  CAJ  CAZ  CBA  NBD  180.00   0.0  0
 4MG  CONST_03  CAV  CAZ  CBA  NBD    0.00   0.0  0
 4MG  CONST_04  CAZ  CAV  CAW  NBD    0.00   0.0  0
 4MG  CONST_05  CAI  CBA  NBD  CAW  180.00   0.0  0
 4MG  CONST_06  CAZ  CBA  NBD  CAW    0.00   0.0  0
 4MG  CONST_07  CBA  CAZ  CAV  CAW    0.00   0.0  0
 4MG  CONST_08  CAJ  CAZ  CAV  CAW  180.00   0.0  0
 4MG  CONST_09  CAI  CBA  CAZ  CAV  180.00   0.0  0
 4MG  CONST_10  CAS  CAJ  CAZ  CAV  180.00   0.0  0
 4MG  CONST_11  CBA  NBD  CAW  CAV    0.00   0.0  0
 4MG  CONST_12  CAH  CAI  CBA  CAZ    0.00   0.0  0
 4MG  CONST_13  CAH  CAS  CAJ  CAZ    0.00   0.0  0
 4MG  CONST_14  CAI  CAH  CAS  CAJ    0.00   0.0  0
 4MG  CONST_15  CAI  CBA  CAZ  CAJ    0.00   0.0  0
 4MG  CONST_16  CAS  CAH  CAI  CBA    0.00   0.0  0
 4MG  CONST_17  CAS  CAJ  CAZ  CBA    0.00   0.0  0
 4MG  CONST_18  C5   C6   N1   C2     0.00   0.0  0
 4MG  CONST_19  C5   C4   N3   C2     0.00   0.0  0
 4MG  CONST_20  NBE  C4   N3   C2   180.00   0.0  0
 4MG  CONST_21  C6   N1   C2   N3     0.00   0.0  0
 4MG  CONST_22  C6   C5   C4   N3     0.00   0.0  0
 4MG  CONST_23  NAO  NBE  C4   N3   180.00   0.0  0
 4MG  CONST_24  CAK  NBE  C4   N3     0.00   0.0  0
 4MG  CONST_25  C4   C5   C6   N1     0.00   0.0  0
 4MG  CONST_26  C4   N3   C2   N1     0.00   0.0  0
 4MG  CONST_27  NBE  C4   C5   C6   180.00   0.0  0
 4MG  CONST_28  NAO  NBE  C4   C5     0.00   0.0  0
 4MG  CONST_29  CAK  NBE  C4   C5   180.00   0.0  0
 4MG  CONST_30  CAT  NAO  NBE  C4   180.00   0.0  0
 4MG  CONST_31  CAU  CAK  NBE  C4   180.00   0.0  0
 4MG  CONST_32  CAU  CAT  NAO  NBE    0.00   0.0  0
 4MG  CONST_33  CAT  CAU  CAK  NBE    0.00   0.0  0
 4MG  CONST_34  CAT  NAO  NBE  CAK    0.00   0.0  0
 4MG  CONST_35  NAO  CAT  CAU  CAK    0.00   0.0  0
 4MG  CONST_36  CAU  CAK  NBE  NAO    0.00   0.0  0
 4MG  CONST_37  CAI  CBA  NBD  CAD    0.00   0.0  0
 4MG  CONST_38  CAZ  CBA  NBD  CAD  180.00   0.0  0
 4MG  CONST_39  CAV  CAW  NBD  CAD  180.00   0.0  0
 4MG  CONST_40  CAB  CAV  CAW  NBD  180.00   0.0  0
 4MG  CONST_41  CBA  NBD  CAW  CAC  180.00   0.0  0
 4MG  CONST_42  CAZ  CAV  CAW  CAC  180.00   0.0  0
 4MG  CONST_43  CBA  CAZ  CAV  CAB  180.00   0.0  0
 4MG  CONST_44  CAJ  CAZ  CAV  CAB    0.00   0.0  0
 4MG  CONST_45  NAP  CAS  CAJ  CAZ  180.00   0.0  0
 4MG  CONST_46  NAP  CAS  CAH  CAI  180.00   0.0  0
 4MG  CONST_47  C6   N1   C2   NAP  180.00   0.0  0
 4MG  CONST_48  C4   N3   C2   NAP  180.00   0.0  0
 4MG  CONST_49  CAA  CAT  NAO  NBE  180.00   0.0  0
 4MG  CONST_50  CAL  CAU  CAK  NBE  180.00   0.0  0
 4MG  CONST_51  CAA  CAT  CAU  CAK  180.00   0.0  0
 4MG  CONST_52  CAL  CAU  CAT  NAO  180.00   0.0  0
 4MG  CONST_53  H11  CAI  CBA  NBD    0.00   0.0  0
 4MG  CONST_54  H10  CAJ  CAZ  CAV    0.00   0.0  0
 4MG  CONST_55  H12  CAH  CAS  CAJ  180.00   0.0  0
 4MG  CONST_56  H14  C6   N1   C2   180.00   0.0  0
 4MG  CONST_57  H15  C5   C4   N3   180.00   0.0  0
 4MG  CONST_58  H16  CAK  NBE  C4     0.00   0.0  0
 4MG  Var_01    CBB  CAM  NBC  CAN   20.81  30.0  1
 4MG  Var_02    C2   NAP  CAS  CAJ   26.26  30.0  2
 4MG  Var_03    N1   C2   NAP  CAS   -1.14  30.0  2
 4MG  Var_04    NBC  CAL  CAU  CAK  -63.05  30.0  2
 4MG  Var_05    CAN  NBC  CAL  CAU  -66.38  30.0  1
 4MG  Var_06    H4   CAC  CAW  NBD   61.96  30.0  2
 4MG  Var_07    H1   CAD  NBD  CAW   84.16  30.0  2
 4MG  Var_08    H7   CAB  CAV  CAW  114.93  30.0  2
 4MG  Var_09    H17  CAA  CAT  NAO  122.04  30.0  2

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
 4MG  chir_01  CBB  CAN  OAE  CAM  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
 4MG  plan-1  C4   0.020
 4MG  plan-1  NBE  0.020
 4MG  plan-1  CAK  0.020
 4MG  plan-1  NAO  0.020
 4MG  plan-1  CAT  0.020
 4MG  plan-1  CAA  0.020
 4MG  plan-1  CAU  0.020
 4MG  plan-1  CAL  0.020
 4MG  plan-1  H16  0.020
 4MG  plan-2  NAP  0.020
 4MG  plan-2  C2   0.020
 4MG  plan-2  N3   0.020
 4MG  plan-2  N1   0.020
 4MG  plan-2  C6   0.020
 4MG  plan-2  C5   0.020
 4MG  plan-2  C4   0.020
 4MG  plan-2  NBE  0.020
 4MG  plan-2  H14  0.020
 4MG  plan-2  H15  0.020
 4MG  plan-3  CAD  0.020
 4MG  plan-3  NBD  0.020
 4MG  plan-3  CAW  0.020
 4MG  plan-3  CAC  0.020
 4MG  plan-3  CAV  0.020
 4MG  plan-3  CAB  0.020
 4MG  plan-3  CAZ  0.020
 4MG  plan-3  CAJ  0.020
 4MG  plan-3  CBA  0.020
 4MG  plan-3  CAI  0.020
 4MG  plan-3  CAH  0.020
 4MG  plan-3  CAS  0.020
 4MG  plan-3  NAP  0.020
 4MG  plan-3  H10  0.020
 4MG  plan-3  H11  0.020
 4MG  plan-3  H12  0.020

