# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 28 15:45:57 2020
#   Inital geometry file: a 156 line input string
#   Ligand name: 6-(6-methoxypyridin-3-yl)-2-{[2-(morpholin-4-yl)ethyl]amino}-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCOCCN1C(=O)C(=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4
#
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
 PD4  PD4  6-(6-methoxypyridin-3-yl)-2-{[2-(morpholin-4-yl)ethyl]amino}-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one  ligand  66  34  .  2021-08-19  2021-08-19  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_PD4
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
 PD4  C     C  CR6   0   0.241   -2.8973  -1.1525   0.0604
 PD4  C1    C  CR16  0  -0.346   -2.1526  -2.1865   0.6337
 PD4  C2    C  CR16  0  -0.218   -0.7761  -2.1451   0.5542
 PD4  C3    C  CR66  0   0.155   -0.1405  -1.0844  -0.0872
 PD4  C4    C  CR66  0   0.487   -0.9825  -0.0984  -0.6263
 PD4  N     N  N     0  -0.486   -2.2951  -0.1374  -0.5526
 PD4  N1    N  N     0  -0.479    1.2207  -1.0266  -0.1719
 PD4  C5    C  CR6   0   0.380    1.7406  -0.0161  -0.7896
 PD4  C6    C  CR6   0   0.514    0.9475   1.0932  -1.4069
 PD4  N2    N  NR6   0  -0.563   -0.4019   0.9808  -1.2829
 PD4  O     O  O     0  -0.461    1.5055   2.0099  -1.9836
 PD4  N3    N  NH1   0  -0.661    3.0607   0.1117  -0.9223
 PD4  C7    C  CH2   0  -0.256    3.9957  -0.8346  -0.3639
 PD4  C8    C  CH2   0  -0.308    5.4137  -0.4351  -0.7473
 PD4  N4    N  NT    0  -0.430    6.3962  -1.3532  -0.2119
 PD4  C9    C  CH2   0  -0.304    7.6624  -1.2540  -0.9182
 PD4  C10   C  CH2   0  -0.189    8.6510  -2.2605  -0.3620
 PD4  O1    O  O2    0  -0.485    8.8529  -2.0820   1.0225
 PD4  C11   C  CH2   0  -0.185    7.6317  -2.1774   1.7206
 PD4  C12   C  CH2   0  -0.312    6.6171  -1.1707   1.2133
 PD4  C13   C  CR6   0  -0.051   -4.3698  -1.1110   0.0981
 PD4  C14   C  CR16  0  -0.162   -5.0776  -0.0149  -0.4195
 PD4  C15   C  CR16  0  -0.376   -6.4495   0.0091  -0.3776
 PD4  C16   C  CR6   0   0.532   -7.1072  -1.0884   0.1940
 PD4  N5    N  N     0  -0.459   -6.4659  -2.1270   0.6843
 PD4  C17   C  CR16  0  -0.116   -5.1369  -2.1349   0.6351
 PD4  C18   C  CH2   0  -0.363   -1.2540   2.0468  -1.8021
 PD4  O2    O  O2    0  -0.469   -8.4380  -1.0555   0.2298
 PD4  C19   C  CH2   0  -0.145   -1.6869   3.0102  -0.7151
 PD4  O3    O  O2    0  -0.479   -0.5507   3.5682  -0.1152
 PD4  C20   C  CH2   0  -0.117   -0.8479   4.3642   1.0069
 PD4  C21   C  CH2   0  -0.463    0.4415   4.8587   1.6302
 PD4  C22   C  CH3   0  -0.672    0.1739   5.7289   2.8505
 PD4  C23   C  CH3   0  -0.417   -9.1200  -2.1604   0.8085
 PD4  H1    H  HCR6  0   0.269   -2.6298  -3.0137   1.1379
 PD4  H2    H  HCR6  0   0.273   -0.1736  -2.9323   0.9889
 PD4  HN3   H  HNH1  0   0.407    3.4046   0.9411  -1.3801
 PD4  H7    H  HCH2  0   0.238    3.8729  -0.8714   0.7224
 PD4  H7A   H  HCH2  0   0.241    3.7847  -1.8381  -0.7412
 PD4  H8    H  HCH2  0   0.250    5.4914  -0.4504  -1.8375
 PD4  H8A   H  HCH2  0   0.209    5.6066   0.6043  -0.4298
 PD4  H9    H  HCH2  0   0.244    7.5037  -1.4693  -1.9777
 PD4  H9A   H  HCH2  0   0.199    8.0899  -0.2387  -0.8532
 PD4  H10   H  HCH2  0   0.201    8.2869  -3.2771  -0.5680
 PD4  H10A  H  HCH2  0   0.237    9.6189  -2.1444  -0.8522
 PD4  H11   H  HCH2  0   0.201    7.2152  -3.1910   1.6322
 PD4  H11A  H  HCH2  0   0.237    7.8422  -1.9923   2.7750
 PD4  H12   H  HCH2  0   0.201    6.9658  -0.1479   1.4375
 PD4  H12A  H  HCH2  0   0.244    5.6865  -1.3206   1.7639
 PD4  H14   H  HCR6  0   0.275   -4.5392   0.8159  -0.8540
 PD4  H15   H  HCR6  0   0.275   -7.0099   0.8458  -0.7722
 PD4  H17   H  HCR6  0   0.261   -4.6720  -3.0207   1.0518
 PD4  H18   H  HCH2  0   0.277   -0.7051   2.5694  -2.5812
 PD4  H18A  H  HCH2  0   0.280   -2.1358   1.6019  -2.2572
 PD4  H19   H  HCH2  0   0.217   -2.3235   3.7783  -1.1769
 PD4  H19A  H  HCH2  0   0.211   -2.3062   2.4870   0.0253
 PD4  H20   H  HCH2  0   0.192   -1.4787   5.2191   0.7200
 PD4  H20A  H  HCH2  0   0.192   -1.4219   3.7859   1.7467
 PD4  H21   H  HCH2  0   0.224    1.0566   4.0004   1.9135
 PD4  H21A  H  HCH2  0   0.224    1.0110   5.4248   0.8885
 PD4  H22   H  HCH3  0   0.221   -0.4130   6.6110   2.5888
 PD4  H22A  H  HCH3  0   0.221   -0.3775   5.1813   3.6167
 PD4  H22B  H  HCH3  0   0.235    1.1053   6.0744   3.2984
 PD4  H23   H  HCH3  0   0.247  -10.1794  -1.9350   0.7195
 PD4  H23A  H  HCH3  0   0.231   -8.9023  -3.0904   0.2821
 PD4  H23B  H  HCH3  0   0.230   -8.8641  -2.2862   1.8612

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
 PD4  C    C1    aromatic  1.397  0.020  1.397
 PD4  C    N     aromatic  1.330  0.020  1.330
 PD4  C    C13   single    1.474  0.020  1.474
 PD4  C1   C2    aromatic  1.379  0.020  1.379
 PD4  C2   C3    aromatic  1.393  0.020  1.393
 PD4  C3   C4    aromatic  1.404  0.020  1.404
 PD4  C3   N1    single    1.365  0.020  1.365
 PD4  C4   N     aromatic  1.315  0.020  1.315
 PD4  C4   N2    single    1.390  0.020  1.390
 PD4  N1   C5    double    1.293  0.020  1.293
 PD4  C5   C6    single    1.497  0.020  1.497
 PD4  C5   N3    single    1.333  0.020  1.333
 PD4  C6   N2    single    1.360  0.020  1.360
 PD4  C6   O     double    1.218  0.020  1.218
 PD4  N2   C18   single    1.460  0.020  1.460
 PD4  N3   C7    single    1.443  0.020  1.443
 PD4  C7   C8    single    1.522  0.020  1.522
 PD4  C8   N4    single    1.447  0.020  1.447
 PD4  N4   C9    single    1.453  0.020  1.453
 PD4  N4   C12   single    1.454  0.020  1.454
 PD4  C9   C10   single    1.517  0.020  1.517
 PD4  C10  O1    single    1.411  0.020  1.411
 PD4  O1   C11   single    1.410  0.020  1.410
 PD4  C11  C12   single    1.517  0.020  1.517
 PD4  C13  C14   aromatic  1.404  0.020  1.404
 PD4  C13  C17   aromatic  1.388  0.020  1.388
 PD4  C14  C15   aromatic  1.373  0.020  1.373
 PD4  C15  C16   aromatic  1.401  0.020  1.401
 PD4  C16  N5    aromatic  1.315  0.020  1.315
 PD4  C16  O2    single    1.332  0.020  1.332
 PD4  N5   C17   aromatic  1.330  0.020  1.330
 PD4  C18  C19   single    1.516  0.020  1.516
 PD4  O2   C23   single    1.422  0.020  1.422
 PD4  C19  O3    single    1.401  0.020  1.401
 PD4  O3   C20   single    1.408  0.020  1.408
 PD4  C20  C21   single    1.515  0.020  1.515
 PD4  C21  C22   single    1.523  0.020  1.523
 PD4  C1   H1    single    0.930  0.020  1.080
 PD4  C2   H2    single    0.930  0.020  1.080
 PD4  N3   HN3   single    0.860  0.020  1.020
 PD4  C7   H7    single    0.970  0.020  1.090
 PD4  C7   H7A   single    0.970  0.020  1.090
 PD4  C8   H8    single    0.970  0.020  1.090
 PD4  C8   H8A   single    0.970  0.020  1.090
 PD4  C9   H9    single    0.970  0.020  1.090
 PD4  C9   H9A   single    0.970  0.020  1.090
 PD4  C10  H10   single    0.970  0.020  1.090
 PD4  C10  H10A  single    0.970  0.020  1.090
 PD4  C11  H11   single    0.970  0.020  1.090
 PD4  C11  H11A  single    0.970  0.020  1.090
 PD4  C12  H12   single    0.970  0.020  1.090
 PD4  C12  H12A  single    0.970  0.020  1.090
 PD4  C14  H14   single    0.930  0.020  1.080
 PD4  C15  H15   single    0.930  0.020  1.080
 PD4  C17  H17   single    0.930  0.020  1.080
 PD4  C18  H18   single    0.970  0.020  1.090
 PD4  C18  H18A  single    0.970  0.020  1.090
 PD4  C19  H19   single    0.970  0.020  1.090
 PD4  C19  H19A  single    0.970  0.020  1.090
 PD4  C20  H20   single    0.970  0.020  1.090
 PD4  C20  H20A  single    0.970  0.020  1.090
 PD4  C21  H21   single    0.970  0.020  1.090
 PD4  C21  H21A  single    0.970  0.020  1.090
 PD4  C22  H22   single    0.970  0.020  1.090
 PD4  C22  H22A  single    0.970  0.020  1.090
 PD4  C22  H22B  single    0.970  0.020  1.090
 PD4  C23  H23   single    0.970  0.020  1.090
 PD4  C23  H23A  single    0.970  0.020  1.090
 PD4  C23  H23B  single    0.970  0.020  1.090

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
 PD4  C13   C    N     116.28  3.000
 PD4  C13   C    C1    122.88  3.000
 PD4  N     C    C1    120.84  3.000
 PD4  H1    C1   C2    119.40  3.000
 PD4  H1    C1   C     121.53  3.000
 PD4  C2    C1   C     119.07  3.000
 PD4  H2    C2   C3    118.99  3.000
 PD4  H2    C2   C1    120.69  3.000
 PD4  C3    C2   C1    120.32  3.000
 PD4  N1    C3   C4    122.98  3.000
 PD4  N1    C3   C2    121.05  3.000
 PD4  C4    C3   C2    115.96  3.000
 PD4  N2    C4   N     117.79  3.000
 PD4  N2    C4   C3    118.42  3.000
 PD4  N     C4   C3    123.79  3.000
 PD4  C4    N    C     120.02  3.000
 PD4  C5    N1   C3    117.62  3.000
 PD4  N3    C5   C6    114.37  3.000
 PD4  N3    C5   N1    121.37  3.000
 PD4  C6    C5   N1    124.25  3.000
 PD4  O     C6   N2    124.05  3.000
 PD4  O     C6   C5    120.67  3.000
 PD4  N2    C6   C5    115.27  3.000
 PD4  C18   N2   C6    119.10  3.000
 PD4  C18   N2   C4    119.40  3.000
 PD4  C6    N2   C4    121.45  3.000
 PD4  HN3   N3   C7    119.64  3.000
 PD4  HN3   N3   C5    117.52  3.000
 PD4  C7    N3   C5    122.71  3.000
 PD4  H7A   C7   H7    106.87  3.000
 PD4  H7A   C7   C8    109.51  3.000
 PD4  H7    C7   C8    111.31  3.000
 PD4  H7A   C7   N3    110.10  3.000
 PD4  H7    C7   N3    109.50  3.000
 PD4  C8    C7   N3    109.52  3.000
 PD4  H8A   C8   H8    106.72  3.000
 PD4  H8A   C8   N4    111.86  3.000
 PD4  H8    C8   N4    108.17  3.000
 PD4  H8A   C8   C7    109.72  3.000
 PD4  H8    C8   C7    108.28  3.000
 PD4  N4    C8   C7    111.88  3.000
 PD4  C12   N4   C9    109.60  3.000
 PD4  C12   N4   C8    112.71  3.000
 PD4  C9    N4   C8    111.61  3.000
 PD4  H9A   C9   H9    107.14  3.000
 PD4  H9A   C9   C10   109.66  3.000
 PD4  H9    C9   C10   108.63  3.000
 PD4  H9A   C9   N4    111.82  3.000
 PD4  H9    C9   N4    109.34  3.000
 PD4  C10   C9   N4    110.15  3.000
 PD4  H10A  C10  H10   107.94  3.000
 PD4  H10A  C10  O1    107.49  3.000
 PD4  H10   C10  O1    110.39  3.000
 PD4  H10A  C10  C9    110.05  3.000
 PD4  H10   C10  C9    109.21  3.000
 PD4  O1    C10  C9    111.67  3.000
 PD4  C11   O1   C10   110.70  3.000
 PD4  H11A  C11  H11   107.89  3.000
 PD4  H11A  C11  C12   109.86  3.000
 PD4  H11   C11  C12   109.37  3.000
 PD4  H11A  C11  O1    107.45  3.000
 PD4  H11   C11  O1    110.53  3.000
 PD4  C12   C11  O1    111.65  3.000
 PD4  H12A  C12  H12   107.11  3.000
 PD4  H12A  C12  C11   108.09  3.000
 PD4  H12   C12  C11   109.62  3.000
 PD4  H12A  C12  N4    110.35  3.000
 PD4  H12   C12  N4    111.32  3.000
 PD4  C11   C12  N4    110.26  3.000
 PD4  C17   C13  C14   116.12  3.000
 PD4  C17   C13  C     122.79  3.000
 PD4  C14   C13  C     121.10  3.000
 PD4  H14   C14  C15   119.77  3.000
 PD4  H14   C14  C13   119.81  3.000
 PD4  C15   C14  C13   120.42  3.000
 PD4  H15   C15  C16   120.76  3.000
 PD4  H15   C15  C14   121.35  3.000
 PD4  C16   C15  C14   117.89  3.000
 PD4  O2    C16  N5    119.78  3.000
 PD4  O2    C16  C15   117.43  3.000
 PD4  N5    C16  C15   122.79  3.000
 PD4  C17   N5   C16   118.56  3.000
 PD4  H17   C17  N5    114.79  3.000
 PD4  H17   C17  C13   120.99  3.000
 PD4  N5    C17  C13   124.22  3.000
 PD4  H18A  C18  H18   107.83  3.000
 PD4  H18A  C18  C19   109.19  3.000
 PD4  H18   C18  C19   110.65  3.000
 PD4  H18A  C18  N2    108.86  3.000
 PD4  H18   C18  N2    108.13  3.000
 PD4  C19   C18  N2    112.07  3.000
 PD4  C23   O2   C16   118.11  3.000
 PD4  H19A  C19  H19   106.83  3.000
 PD4  H19A  C19  O3    111.01  3.000
 PD4  H19   C19  O3    111.79  3.000
 PD4  H19A  C19  C18   109.99  3.000
 PD4  H19   C19  C18   107.96  3.000
 PD4  O3    C19  C18   109.19  3.000
 PD4  C20   O3   C19   113.30  3.000
 PD4  H20A  C20  H20   106.53  3.000
 PD4  H20A  C20  C21   109.81  3.000
 PD4  H20   C20  C21   109.97  3.000
 PD4  H20A  C20  O3    110.42  3.000
 PD4  H20   C20  O3    110.64  3.000
 PD4  C21   C20  O3    109.44  3.000
 PD4  H21A  C21  H21   106.82  3.000
 PD4  H21A  C21  C22   109.84  3.000
 PD4  H21   C21  C22   109.87  3.000
 PD4  H21A  C21  C20   109.47  3.000
 PD4  H21   C21  C20   109.21  3.000
 PD4  C22   C21  C20   111.51  3.000
 PD4  H22B  C22  H22A  107.60  3.000
 PD4  H22B  C22  H22   107.58  3.000
 PD4  H22A  C22  H22   107.59  3.000
 PD4  H22B  C22  C21   111.12  3.000
 PD4  H22A  C22  C21   111.39  3.000
 PD4  H22   C22  C21   111.36  3.000
 PD4  H23B  C23  H23A  108.71  3.000
 PD4  H23B  C23  H23   109.37  3.000
 PD4  H23A  C23  H23   109.38  3.000
 PD4  H23B  C23  O2    111.72  3.000
 PD4  H23A  C23  O2    111.75  3.000
 PD4  H23   C23  O2    105.85  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
 PD4  CONST_01  C3   C2   C1   C       0.00   0.0  0
 PD4  CONST_02  C3   C4   N    C       0.00   0.0  0
 PD4  CONST_03  C15  C14  C13  C     180.00   0.0  0
 PD4  CONST_04  N5   C17  C13  C     180.00   0.0  0
 PD4  CONST_05  C4   N    C    C1      0.00   0.0  0
 PD4  CONST_06  C14  C13  C    C1    180.00   0.0  0
 PD4  CONST_07  C17  C13  C    C1      0.00   0.0  0
 PD4  CONST_08  C4   C3   C2   C1      0.00   0.0  0
 PD4  CONST_09  N    C    C1   C2      0.00   0.0  0
 PD4  CONST_10  C13  C    C1   C2    180.00   0.0  0
 PD4  CONST_11  N    C4   C3   C2      0.00   0.0  0
 PD4  CONST_12  C13  C    N    C4    180.00   0.0  0
 PD4  CONST_13  C14  C13  C    N       0.00   0.0  0
 PD4  CONST_14  C17  C13  C    N     180.00   0.0  0
 PD4  CONST_15  C16  C15  C14  C13     0.00   0.0  0
 PD4  CONST_16  C16  N5   C17  C13     0.00   0.0  0
 PD4  CONST_17  N5   C17  C13  C14     0.00   0.0  0
 PD4  CONST_18  N5   C16  C15  C14     0.00   0.0  0
 PD4  CONST_19  C17  C13  C14  C15     0.00   0.0  0
 PD4  CONST_20  C17  N5   C16  C15     0.00   0.0  0
 PD4  CONST_21  C6   C5   N1   C3      0.00   0.0  0
 PD4  CONST_22  C5   C6   N2   C4      0.00   0.0  0
 PD4  CONST_23  O2   C16  C15  C14   180.00   0.0  0
 PD4  CONST_24  O2   C16  N5   C17   180.00   0.0  0
 PD4  CONST_25  N3   C5   N1   C3    180.00   0.0  0
 PD4  CONST_26  O    C6   N2   C4    180.00   0.0  0
 PD4  CONST_27  C18  N2   C6   C5    180.00   0.0  0
 PD4  CONST_28  H2   C2   C1   C     180.00   0.0  0
 PD4  CONST_29  H14  C14  C13  C       0.00   0.0  0
 PD4  CONST_30  H17  C17  C13  C       0.00   0.0  0
 PD4  CONST_31  H1   C1   C2   C3    180.00   0.0  0
 PD4  CONST_32  H15  C15  C14  C13   180.00   0.0  0
 PD4  CONST_33  C7   N3   C5   N1      0.00   0.0  0
 PD4  CONST_34  C7   N3   C5   C6    180.00   0.0  0
 PD4  CONST_35  C18  N2   C6   O       0.00   0.0  0
 PD4  CONST_36  HN3  N3   C5   N1    180.00   0.0  0
 PD4  Var_01    O1   C10  C9   N4    -57.34  30.0  1
 PD4  Var_02    O1   C11  C12  N4     57.15  30.0  1
 PD4  Var_03    C11  C12  N4   C9    -56.24  30.0  1
 PD4  Var_04    C12  N4   C9   C10    56.29  30.0  1
 PD4  Var_05    C12  C11  O1   C10   -57.24  30.0  1
 PD4  Var_06    C19  C18  N2   C4     79.36  30.0  3
 PD4  Var_07    C9   N4   C8   C7    160.79  30.0  3
 PD4  Var_08    C8   C7   N3   C5    177.44  30.0  3
 PD4  Var_09    O3   C19  C18  N2     58.42  30.0  3
 PD4  Var_10    N4   C8   C7   N3   -179.99  30.0  3
 PD4  Var_11    H23  C23  O2   C16  -179.12  30.0  3
 PD4  Var_12    C21  C20  O3   C19   176.90  30.0  3
 PD4  Var_13    C22  C21  C20  O3    179.91  30.0  3
 PD4  Var_14    H22  C22  C21  C20   -60.54  30.0  3

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
 PD4  plan-1  C    0.020
 PD4  plan-1  C13  0.020
 PD4  plan-1  C14  0.020
 PD4  plan-1  C15  0.020
 PD4  plan-1  C16  0.020
 PD4  plan-1  N5   0.020
 PD4  plan-1  C17  0.020
 PD4  plan-1  O2   0.020
 PD4  plan-1  H14  0.020
 PD4  plan-1  H15  0.020
 PD4  plan-1  H17  0.020
 PD4  plan-2  C    0.020
 PD4  plan-2  C1   0.020
 PD4  plan-2  C2   0.020
 PD4  plan-2  C3   0.020
 PD4  plan-2  C4   0.020
 PD4  plan-2  N    0.020
 PD4  plan-2  N1   0.020
 PD4  plan-2  C5   0.020
 PD4  plan-2  C6   0.020
 PD4  plan-2  N2   0.020
 PD4  plan-2  O    0.020
 PD4  plan-2  N3   0.020
 PD4  plan-2  C7   0.020
 PD4  plan-2  C13  0.020
 PD4  plan-2  C18  0.020
 PD4  plan-2  H1   0.020
 PD4  plan-2  H2   0.020
 PD4  plan-2  HN3  0.020

