# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 24 04:40:43 2020
#   Inital geometry file: a 125 line input string
#   Ligand name: 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: NC1[C@H]2CN(C[C@@H]12)c3nc4nc(N)ncc4cc3c5c(Cl)cccc5c6cccnc6
#
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
 MQV  MQV  7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine  ligand  51  31  .  2021-08-14  2021-08-14  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_MQV
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
 MQV  CAJ  C   CH2   0  -0.278  -2.2159  -1.5151   0.0603
 MQV  CAI  C   CR15  0  -0.290  -2.9931  -2.4174   0.9807
 MQV  CAH  C   CH1   0  -0.072  -2.7052  -2.3121   2.4460
 MQV  NAA  N   NH2   0  -0.807  -3.7376  -2.7565   3.3304
 MQV  CAL  C   CR15  0  -0.296  -2.0308  -3.3649   1.6221
 MQV  CAK  C   CH2   0  -0.257  -0.6518  -3.0392   1.1181
 MQV  NAB  N   NR5   0  -0.514  -0.8143  -1.7862   0.3762
 MQV  CAM  C   CR6   0   0.515   0.2800  -1.1079  -0.0312
 MQV  NAC  N   N     0  -0.509   1.4356  -1.6411   0.3461
 MQV  C4   C   CR66  0   0.378   2.5898  -1.0227   0.0872
 MQV  N3   N   N     0  -0.485   3.7202  -1.6103   0.5081
 MQV  C2   C   CR6   0   0.548   4.8564  -0.9832   0.2554
 MQV  NAG  N   NH2   0  -0.816   5.9963  -1.5432   0.6824
 MQV  N1   N   N     0  -0.461   5.0007   0.2019  -0.3992
 MQV  C6   C   CR16  0  -0.042   3.8993   0.7663  -0.8136
 MQV  C5   C   CR66  0  -0.118   2.6318   0.2075  -0.6038
 MQV  CAR  C   CR16  0  -0.189   1.4143   0.7492  -1.0457
 MQV  CAS  C   CR6   0  -0.106   0.2301   0.1199  -0.7948
 MQV  CAT  C   CR6   0   0.091  -0.9900   0.7350  -1.3677
 MQV  CAU  C   CR6   0  -0.086  -1.5506   0.2271  -2.5377
 MQV  CLE  CL  CL    0  -0.108  -0.8530  -1.1858  -3.2603
 MQV  CAV  C   CR16  0  -0.212  -2.6479   0.8099  -3.1484
 MQV  CAW  C   CR16  0  -0.255  -3.1945   1.9532  -2.5878
 MQV  CAX  C   CR16  0  -0.283  -2.6415   2.4994  -1.4416
 MQV  CAY  C   CR6   0   0.064  -1.5433   1.9041  -0.8243
 MQV  CAZ  C   CR6   0  -0.056  -0.9753   2.5352   0.3861
 MQV  CBA  C   CR16  0  -0.182  -0.6418   3.8859   0.3926
 MQV  CBB  C   CR16  0  -0.318  -0.1255   4.4537   1.5462
 MQV  CBC  C   CR16  0  -0.068   0.0374   3.6504   2.6631
 MQV  NAF  N   N     0  -0.399  -0.2878   2.3621   2.6797
 MQV  CBD  C   CR16  0  -0.086  -0.7766   1.8280   1.5717
 MQV  H1   H   HCH2  0   0.254  -2.4502  -1.7614  -0.9778
 MQV  H2   H   HCH2  0   0.257  -2.4684  -0.4678   0.2245
 MQV  H3   H   HCR5  0   0.269  -3.9798  -2.7320   0.6666
 MQV  H4   H   HCH1  0   0.230  -2.0806  -1.4705   2.7617
 MQV  H5   H   HNH2  0   0.349  -3.3360  -3.0388   4.2154
 MQV  H6   H   HNH2  0   0.349  -4.3725  -1.9948   3.5331
 MQV  H8   H   HCR5  0   0.269  -2.2846  -4.4030   1.7932
 MQV  H9   H   HCH2  0   0.250   0.0703  -2.9083   1.9239
 MQV  H10  H   HCH2  0   0.243  -0.2725  -3.8329   0.4672
 MQV  H11  H   HNH2  0   0.399   5.9860  -2.4386   1.1369
 MQV  H12  H   HNH2  0   0.400   6.8807  -1.1181   0.4703
 MQV  H13  H   HCR6  0   0.273   3.9934   1.7105  -1.3435
 MQV  H14  H   HCR6  0   0.268   1.4172   1.6738  -1.6117
 MQV  H15  H   HCR6  0   0.285  -3.0628   0.3830  -4.0511
 MQV  H16  H   HCR6  0   0.273  -4.0528   2.4198  -3.0519
 MQV  H17  H   HCR6  0   0.265  -3.0762   3.3923  -1.0110
 MQV  H18  H   HCR6  0   0.273  -0.7701   4.4857  -0.5001
 MQV  H19  H   HCR6  0   0.275   0.1511   5.4985   1.5776
 MQV  H20  H   HCR6  0   0.268   0.4432   4.0617   3.5804
 MQV  H21  H   HCR6  0   0.250  -1.0422   0.7777   1.6341

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
 MQV  CBB  CBC  aromatic  1.385  0.020  1.385
 MQV  CBB  CBA  aromatic  1.386  0.020  1.386
 MQV  CAX  CAW  aromatic  1.385  0.020  1.385
 MQV  CAX  CAY  aromatic  1.393  0.020  1.393
 MQV  CBC  NAF  aromatic  1.329  0.020  1.329
 MQV  CAW  CAV  aromatic  1.386  0.020  1.386
 MQV  CBA  CAZ  aromatic  1.391  0.020  1.391
 MQV  NAF  CBD  aromatic  1.324  0.020  1.324
 MQV  CAZ  CBD  aromatic  1.395  0.020  1.395
 MQV  CAZ  CAY  single    1.478  0.020  1.478
 MQV  CAY  CAT  aromatic  1.403  0.020  1.403
 MQV  CAL  CAK  single    1.504  0.020  1.504
 MQV  CAL  CAH  single    1.497  0.020  1.497
 MQV  CAL  CAI  single    1.495  0.020  1.495
 MQV  CAK  NAB  single    1.465  0.020  1.465
 MQV  CAV  CAU  aromatic  1.384  0.020  1.384
 MQV  NAA  CAH  single    1.430  0.020  1.430
 MQV  CAH  CAI  single    1.497  0.020  1.497
 MQV  CAT  CAU  aromatic  1.393  0.020  1.393
 MQV  CAT  CAS  single    1.482  0.020  1.482
 MQV  CAI  CAJ  single    1.505  0.020  1.505
 MQV  CAU  CLE  single    1.734  0.020  1.734
 MQV  NAB  CAJ  single    1.462  0.020  1.462
 MQV  NAB  CAM  single    1.350  0.020  1.350
 MQV  CAS  CAM  aromatic  1.447  0.020  1.447
 MQV  CAS  CAR  aromatic  1.364  0.020  1.364
 MQV  CAM  NAC  aromatic  1.327  0.020  1.327
 MQV  CAR  C5   aromatic  1.404  0.020  1.404
 MQV  NAC  C4   aromatic  1.335  0.020  1.335
 MQV  C5   C4   aromatic  1.412  0.020  1.412
 MQV  C5   C6   aromatic  1.401  0.020  1.401
 MQV  C4   N3   aromatic  1.342  0.020  1.342
 MQV  C6   N1   aromatic  1.305  0.020  1.305
 MQV  N3   C2   aromatic  1.322  0.020  1.322
 MQV  N1   C2   aromatic  1.361  0.020  1.361
 MQV  C2   NAG  single    1.340  0.020  1.340
 MQV  CAJ  H1   single    0.970  0.020  1.090
 MQV  CAJ  H2   single    0.970  0.020  1.090
 MQV  CAI  H3   single    0.970  0.020  1.090
 MQV  CAH  H4   single    0.970  0.020  1.090
 MQV  NAA  H5   single    0.890  0.020  1.040
 MQV  NAA  H6   single    0.890  0.020  1.040
 MQV  CAL  H8   single    0.970  0.020  1.090
 MQV  CAK  H9   single    0.970  0.020  1.090
 MQV  CAK  H10  single    0.970  0.020  1.090
 MQV  NAG  H11  single    0.860  0.020  1.020
 MQV  NAG  H12  single    0.860  0.020  1.020
 MQV  C6   H13  single    0.930  0.020  1.080
 MQV  CAR  H14  single    0.930  0.020  1.080
 MQV  CAV  H15  single    0.930  0.020  1.080
 MQV  CAW  H16  single    0.930  0.020  1.080
 MQV  CAX  H17  single    0.930  0.020  1.080
 MQV  CBA  H18  single    0.930  0.020  1.080
 MQV  CBB  H19  single    0.930  0.020  1.080
 MQV  CBC  H20  single    0.930  0.020  1.080
 MQV  CBD  H21  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
 MQV  H2   CAJ  H1   108.07  3.000
 MQV  H2   CAJ  NAB  111.58  3.000
 MQV  H1   CAJ  NAB  111.66  3.000
 MQV  H2   CAJ  CAI  111.36  3.000
 MQV  H1   CAJ  CAI  109.59  3.000
 MQV  NAB  CAJ  CAI  104.58  3.000
 MQV  H3   CAI  CAL  121.81  3.000
 MQV  H3   CAI  CAH  118.67  3.000
 MQV  CAL  CAI  CAH   60.06  3.000
 MQV  H3   CAI  CAJ  117.88  3.000
 MQV  CAH  CAI  CAJ  117.20  3.000
 MQV  CAL  CAI  CAJ  108.05  3.000
 MQV  H4   CAH  CAL  116.24  3.000
 MQV  H4   CAH  NAA  118.20  3.000
 MQV  CAL  CAH  NAA  116.54  3.000
 MQV  H4   CAH  CAI  116.49  3.000
 MQV  NAA  CAH  CAI  116.40  3.000
 MQV  CAL  CAH  CAI   59.91  3.000
 MQV  H6   NAA  H5   106.48  3.000
 MQV  H6   NAA  CAH  110.05  3.000
 MQV  H5   NAA  CAH  109.93  3.000
 MQV  H8   CAL  CAK  118.41  3.000
 MQV  H8   CAL  CAH  118.80  3.000
 MQV  CAK  CAL  CAH  116.43  3.000
 MQV  H8   CAL  CAI  121.65  3.000
 MQV  CAH  CAL  CAI   60.04  3.000
 MQV  CAK  CAL  CAI  108.01  3.000
 MQV  H10  CAK  H9   107.29  3.000
 MQV  H10  CAK  NAB  110.94  3.000
 MQV  H9   CAK  NAB  110.19  3.000
 MQV  H10  CAK  CAL  111.11  3.000
 MQV  H9   CAK  CAL  112.69  3.000
 MQV  NAB  CAK  CAL  104.67  3.000
 MQV  CAM  NAB  CAK  119.50  3.000
 MQV  CAM  NAB  CAJ  128.21  3.000
 MQV  CAK  NAB  CAJ  111.98  3.000
 MQV  CAS  CAM  NAC  121.40  3.000
 MQV  NAC  CAM  NAB  114.70  3.000
 MQV  CAS  CAM  NAB  123.89  3.000
 MQV  C4   NAC  CAM  120.77  3.000
 MQV  C5   C4   N3   120.67  3.000
 MQV  N3   C4   NAC  117.69  3.000
 MQV  C5   C4   NAC  121.63  3.000
 MQV  C2   N3   C4   117.15  3.000
 MQV  N1   C2   NAG  115.27  3.000
 MQV  NAG  C2   N3   118.16  3.000
 MQV  N1   C2   N3   126.57  3.000
 MQV  H12  NAG  H11  118.83  3.000
 MQV  H12  NAG  C2   120.34  3.000
 MQV  H11  NAG  C2   120.54  3.000
 MQV  C6   N1   C2   116.08  3.000
 MQV  H13  C6   C5   119.86  3.000
 MQV  H13  C6   N1   117.22  3.000
 MQV  C5   C6   N1   122.92  3.000
 MQV  CAR  C5   C6   125.70  3.000
 MQV  C6   C5   C4   116.61  3.000
 MQV  CAR  C5   C4   117.68  3.000
 MQV  H14  CAR  CAS  119.45  3.000
 MQV  H14  CAR  C5   119.41  3.000
 MQV  CAS  CAR  C5   121.13  3.000
 MQV  CAT  CAS  CAR  116.89  3.000
 MQV  CAR  CAS  CAM  117.29  3.000
 MQV  CAT  CAS  CAM  125.79  3.000
 MQV  CAY  CAT  CAU  118.06  3.000
 MQV  CAU  CAT  CAS  120.31  3.000
 MQV  CAY  CAT  CAS  121.40  3.000
 MQV  CAV  CAU  CLE  118.57  3.000
 MQV  CLE  CAU  CAT  119.03  3.000
 MQV  CAV  CAU  CAT  122.40  3.000
 MQV  H15  CAV  CAW  120.80  3.000
 MQV  H15  CAV  CAU  120.41  3.000
 MQV  CAW  CAV  CAU  118.79  3.000
 MQV  H16  CAW  CAX  120.13  3.000
 MQV  H16  CAW  CAV  119.70  3.000
 MQV  CAX  CAW  CAV  120.18  3.000
 MQV  H17  CAX  CAY  119.52  3.000
 MQV  H17  CAX  CAW  119.62  3.000
 MQV  CAY  CAX  CAW  120.86  3.000
 MQV  CAZ  CAY  CAX  118.89  3.000
 MQV  CAZ  CAY  CAT  121.42  3.000
 MQV  CAX  CAY  CAT  119.68  3.000
 MQV  CBD  CAZ  CBA  117.01  3.000
 MQV  CBD  CAZ  CAY  122.29  3.000
 MQV  CBA  CAZ  CAY  120.68  3.000
 MQV  H18  CBA  CBB  120.22  3.000
 MQV  H18  CBA  CAZ  120.36  3.000
 MQV  CBB  CBA  CAZ  119.41  3.000
 MQV  H19  CBB  CBC  120.45  3.000
 MQV  H19  CBB  CBA  121.04  3.000
 MQV  CBC  CBB  CBA  118.52  3.000
 MQV  H20  CBC  NAF  116.67  3.000
 MQV  H20  CBC  CBB  120.41  3.000
 MQV  NAF  CBC  CBB  122.92  3.000
 MQV  CBD  NAF  CBC  118.11  3.000
 MQV  H21  CBD  NAF  115.65  3.000
 MQV  H21  CBD  CAZ  120.31  3.000
 MQV  NAF  CBD  CAZ  124.03  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
 MQV  CONST_03  C5   CAR  CAS  CAM    0.00   0.0  0
 MQV  CONST_04  C5   C4   NAC  CAM    0.00   0.0  0
 MQV  CONST_05  N3   C4   NAC  CAM  180.00   0.0  0
 MQV  CONST_06  CAT  CAS  CAM  NAC  180.00   0.0  0
 MQV  CONST_07  CAR  CAS  CAM  NAC    0.00   0.0  0
 MQV  CONST_08  CAR  C5   C4   NAC    0.00   0.0  0
 MQV  CONST_09  C6   C5   C4   NAC  180.00   0.0  0
 MQV  CONST_10  C2   N3   C4   NAC  180.00   0.0  0
 MQV  CONST_11  CAS  CAM  NAC  C4     0.00   0.0  0
 MQV  CONST_12  CAS  CAR  C5   C4     0.00   0.0  0
 MQV  CONST_13  N1   C6   C5   C4     0.00   0.0  0
 MQV  CONST_14  N1   C2   N3   C4     0.00   0.0  0
 MQV  CONST_15  CAR  C5   C4   N3   180.00   0.0  0
 MQV  CONST_16  C6   C5   C4   N3     0.00   0.0  0
 MQV  CONST_17  C6   N1   C2   N3     0.00   0.0  0
 MQV  CONST_18  C5   C4   N3   C2     0.00   0.0  0
 MQV  CONST_19  C5   C6   N1   C2     0.00   0.0  0
 MQV  CONST_20  CAR  C5   C6   N1   180.00   0.0  0
 MQV  CONST_21  CAS  CAR  C5   C6   180.00   0.0  0
 MQV  CONST_22  CAT  CAS  CAR  C5   180.00   0.0  0
 MQV  CONST_25  CAX  CAY  CAT  CAS  180.00   0.0  0
 MQV  CONST_26  CAZ  CAY  CAT  CAS    0.00   0.0  0
 MQV  CONST_27  CAV  CAU  CAT  CAS  180.00   0.0  0
 MQV  CONST_28  CAW  CAX  CAY  CAT    0.00   0.0  0
 MQV  CONST_31  CAW  CAV  CAU  CAT    0.00   0.0  0
 MQV  CONST_32  CAX  CAW  CAV  CAU    0.00   0.0  0
 MQV  CONST_33  CAX  CAY  CAT  CAU    0.00   0.0  0
 MQV  CONST_34  CAZ  CAY  CAT  CAU  180.00   0.0  0
 MQV  CONST_35  CAY  CAX  CAW  CAV    0.00   0.0  0
 MQV  CONST_36  CAY  CAT  CAU  CAV    0.00   0.0  0
 MQV  CONST_37  CAZ  CAY  CAX  CAW  180.00   0.0  0
 MQV  CONST_40  CBB  CBA  CAZ  CAY  180.00   0.0  0
 MQV  CONST_41  NAF  CBD  CAZ  CAY  180.00   0.0  0
 MQV  CONST_42  CBC  CBB  CBA  CAZ    0.00   0.0  0
 MQV  CONST_43  CBC  NAF  CBD  CAZ    0.00   0.0  0
 MQV  CONST_44  NAF  CBC  CBB  CBA    0.00   0.0  0
 MQV  CONST_45  NAF  CBD  CAZ  CBA    0.00   0.0  0
 MQV  CONST_46  CBD  NAF  CBC  CBB    0.00   0.0  0
 MQV  CONST_47  CBD  CAZ  CBA  CBB    0.00   0.0  0
 MQV  CONST_48  CAT  CAS  CAM  NAB    0.00   0.0  0
 MQV  CONST_49  CAR  CAS  CAM  NAB  180.00   0.0  0
 MQV  CONST_50  C4   NAC  CAM  NAB  180.00   0.0  0
 MQV  CONST_51  NAG  C2   N3   C4   180.00   0.0  0
 MQV  CONST_52  C6   N1   C2   NAG  180.00   0.0  0
 MQV  CONST_53  CLE  CAU  CAT  CAS    0.00   0.0  0
 MQV  CONST_54  CAW  CAV  CAU  CLE  180.00   0.0  0
 MQV  CONST_55  CAY  CAT  CAU  CLE  180.00   0.0  0
 MQV  CONST_56  H14  CAR  CAS  CAM  180.00   0.0  0
 MQV  CONST_57  H13  C6   C5   C4   180.00   0.0  0
 MQV  CONST_58  H17  CAX  CAY  CAT  180.00   0.0  0
 MQV  CONST_59  H15  CAV  CAU  CAT  180.00   0.0  0
 MQV  CONST_60  H16  CAW  CAV  CAU  180.00   0.0  0
 MQV  CONST_61  H18  CBA  CAZ  CAY    0.00   0.0  0
 MQV  CONST_62  H21  CBD  CAZ  CAY    0.00   0.0  0
 MQV  CONST_63  H19  CBB  CBA  CAZ  180.00   0.0  0
 MQV  CONST_64  H20  CBC  CBB  CBA  180.00   0.0  0
 MQV  CONST_65  H11  NAG  C2   N3     0.00   0.0  0
 MQV  CONST_66  H12  NAG  C2   N3   180.00   0.0  0
 MQV  Var_01    CAK  CAL  CAI  CAJ    0.87  30.0  1
 MQV  Var_02    CAL  CAK  NAB  CAJ  -16.27  30.0  1
 MQV  Var_03    CAS  CAM  NAB  CAJ    5.49  30.0  2
 MQV  Var_04    NAB  CAK  CAL  CAI    8.93  30.0  1
 MQV  Var_05    CAK  NAB  CAJ  CAI   16.78  30.0  1
 MQV  Var_06    NAB  CAJ  CAI  CAH   54.66  30.0  1
 MQV  Var_07    H5   NAA  CAH  CAI  154.66  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
 MQV  chir_01  CAI  CAL  CAH  CAJ  both
 MQV  chir_02  CAH  NAA  CAI  CAL  both
 MQV  chir_03  CAL  CAI  CAH  CAK  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
 MQV  plan-1  CAS  0.020
 MQV  plan-1  CAT  0.020
 MQV  plan-1  CAU  0.020
 MQV  plan-1  CLE  0.020
 MQV  plan-1  CAV  0.020
 MQV  plan-1  CAW  0.020
 MQV  plan-1  CAX  0.020
 MQV  plan-1  CAY  0.020
 MQV  plan-1  CAZ  0.020
 MQV  plan-1  H15  0.020
 MQV  plan-1  H16  0.020
 MQV  plan-1  H17  0.020
 MQV  plan-2  CAY  0.020
 MQV  plan-2  CAZ  0.020
 MQV  plan-2  CBA  0.020
 MQV  plan-2  CBB  0.020
 MQV  plan-2  CBC  0.020
 MQV  plan-2  NAF  0.020
 MQV  plan-2  CBD  0.020
 MQV  plan-2  H18  0.020
 MQV  plan-2  H19  0.020
 MQV  plan-2  H20  0.020
 MQV  plan-2  H21  0.020
 MQV  plan-3  NAB  0.020
 MQV  plan-3  CAM  0.020
 MQV  plan-3  NAC  0.020
 MQV  plan-3  C4   0.020
 MQV  plan-3  N3   0.020
 MQV  plan-3  C2   0.020
 MQV  plan-3  NAG  0.020
 MQV  plan-3  N1   0.020
 MQV  plan-3  C6   0.020
 MQV  plan-3  C5   0.020
 MQV  plan-3  CAR  0.020
 MQV  plan-3  CAS  0.020
 MQV  plan-3  CAT  0.020
 MQV  plan-3  H13  0.020
 MQV  plan-3  H14  0.020
 MQV  plan-4  C2   0.020
 MQV  plan-4  NAG  0.020
 MQV  plan-4  H11  0.020
 MQV  plan-4  H12  0.020

