# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue May  5 13:57:29 2020
#   Inital geometry file: a 144 line input string
#   Ligand name: 5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Clc1ccc(CN2C=C(C(=O)Nc3ccncc3)c4n(ncc4C2=O)C5CCNCC5)cc1Cl
#
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
 H0N  H0N  5-[(3,4-dichlorophenyl)methyl]-4-oxidanylidene-1-piperidin-4-yl-~{N}-pyridin-4-yl-pyrazolo[4,3-c]pyridine-7-carboxamide  ligand  56  34  .  2021-08-11  2021-08-11  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_H0N
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
 H0N  CBC  C   CR16  0  -0.276  -3.5471   1.1252   0.9398
 H0N  CBB  C   CR6   0   0.022  -4.4748   1.5003  -0.0213
 H0N  CL1  CL  CL    0  -0.093  -4.6553   3.1668  -0.4133
 H0N  CBA  C   CR6   0  -0.013  -5.2489   0.5348  -0.6522
 H0N  CL2  CL  CL    0  -0.092  -6.4089   0.9793  -1.8435
 H0N  CBF  C   CR16  0  -0.199  -5.0913  -0.8020  -0.3140
 H0N  CBE  C   CR16  0  -0.294  -4.1632  -1.1716   0.6432
 H0N  CBD  C   CR6   0   0.160  -3.3792  -0.2110   1.2766
 H0N  CBG  C   CH2   0  -0.466  -2.3455  -0.6008   2.2997
 H0N  NAE  N   NR6   0  -0.526  -1.1116  -1.0844   1.6727
 H0N  CAD  C   CR16  0   0.047  -0.2178  -0.1592   1.2356
 H0N  CAF  C   CR6   0   0.543  -0.9488  -2.4554   1.4661
 H0N  OAG  O   O     0  -0.473  -1.7930  -3.2603   1.8268
 H0N  CAP  C   CR56  0  -0.373   0.2866  -2.7819   0.8206
 H0N  CAQ  C   CR15  0  -0.053   0.8646  -4.0228   0.4984
 H0N  NAR  N   N     0  -0.246   2.0454  -3.8479  -0.0359
 H0N  NAS  N   NR5   0  -0.412   2.2684  -2.5247  -0.0747
 H0N  CAT  C   CH1   0  -0.103   3.5664  -2.0593  -0.5481
 H0N  CAU  C   CH2   0  -0.423   3.6989  -2.2013  -2.0592
 H0N  CAV  C   CH2   0  -0.302   5.0725  -1.7120  -2.4975
 H0N  NAW  N   NH1   0  -0.597   6.1103  -2.4491  -1.8000
 H0N  CAX  C   CH2   0  -0.300   6.0366  -2.2523  -0.3638
 H0N  CAY  C   CH2   0  -0.422   4.7084  -2.7771   0.1650
 H0N  CAO  C   CR56  0   0.589   1.2214  -1.8328   0.4137
 H0N  CAC  C   CR6   0  -0.208   0.9523  -0.4404   0.6026
 H0N  CAB  C   C     0   0.510   1.7043   0.6770  -0.0250
 H0N  OAA  O   O     0  -0.431   2.0609   0.6334  -1.1860
 H0N  NAH  N   NH1   0  -0.743   1.9123   1.7388   0.8021
 H0N  CAI  C   CR6   0   0.472   2.4423   2.9853   0.4960
 H0N  CAJ  C   CR16  0  -0.373   2.7730   3.4264  -0.7851
 H0N  CAK  C   CR16  0  -0.069   3.2779   4.7103  -0.9224
 H0N  NAL  N   N     0  -0.415   3.4765   5.5584   0.0785
 H0N  CAM  C   CR16  0  -0.061   3.1594   5.1260   1.2951
 H0N  CAN  C   CR16  0  -0.419   2.6464   3.8709   1.5560
 H0N  H1   H   HCR6  0   0.288  -2.9612   1.8914   1.4320
 H0N  H2   H   HCR6  0   0.292  -5.7020  -1.5513  -0.7986
 H0N  H3   H   HCR6  0   0.274  -4.0560  -2.2169   0.8990
 H0N  H4   H   HCH2  0   0.305  -2.0885   0.2510   2.9277
 H0N  H5   H   HCH2  0   0.307  -2.7237  -1.3804   2.9558
 H0N  H6   H   HCR6  0   0.318  -0.5182   0.8675   1.3969
 H0N  H7   H   HCR5  0   0.279   0.4621  -5.0130   0.6457
 H0N  H8   H   HCH1  0   0.262   3.6336  -1.0034  -0.2892
 H0N  H9   H   HCH2  0   0.230   3.5735  -3.2502  -2.3408
 H0N  H10  H   HCH2  0   0.245   2.9205  -1.6245  -2.5601
 H0N  H11  H   HCH2  0   0.239   5.1892  -1.8625  -3.5721
 H0N  H12  H   HCH2  0   0.193   5.1324  -0.6251  -2.3201
 H0N  H13  H   HNH1  0   0.355   7.0177  -2.1530  -2.1347
 H0N  H15  H   HCH2  0   0.240   6.8571  -2.7924   0.1117
 H0N  H16  H   HCH2  0   0.193   6.1439  -1.1933  -0.0750
 H0N  H17  H   HCH2  0   0.244   4.6434  -2.6097   1.2422
 H0N  H18  H   HCH2  0   0.236   4.6458  -3.8526  -0.0092
 H0N  H19  H   HNH1  0   0.429   1.7041   1.5913   1.7789
 H0N  H20  H   HCR6  0   0.292   2.6512   2.8110  -1.6600
 H0N  H21  H   HCR6  0   0.267   3.5347   5.0650  -1.9144
 H0N  H22  H   HCR6  0   0.269   3.3210   5.8154   2.1160
 H0N  H23  H   HCR6  0   0.286   2.4102   3.5852   2.5732

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
 H0N  CAQ  NAR  aromatic  1.308  0.020  1.308
 H0N  CAQ  CAP  aromatic  1.406  0.020  1.406
 H0N  NAR  NAS  aromatic  1.342  0.020  1.342
 H0N  OAG  CAF  double    1.221  0.020  1.221
 H0N  CAY  CAX  single    1.523  0.020  1.523
 H0N  CAY  CAT  single    1.526  0.020  1.526
 H0N  CAP  CAF  single    1.432  0.020  1.432
 H0N  CAP  CAO  aromatic  1.393  0.020  1.393
 H0N  CAX  NAW  single    1.451  0.020  1.451
 H0N  CAF  NAE  single    1.396  0.020  1.396
 H0N  NAS  CAT  single    1.458  0.020  1.458
 H0N  NAS  CAO  aromatic  1.347  0.020  1.347
 H0N  NAW  CAV  single    1.451  0.020  1.451
 H0N  CAT  CAU  single    1.523  0.020  1.523
 H0N  CAO  CAC  single    1.431  0.020  1.431
 H0N  CAU  CAV  single    1.523  0.020  1.523
 H0N  NAE  CBG  single    1.466  0.020  1.466
 H0N  NAE  CAD  single    1.359  0.020  1.359
 H0N  CBE  CBF  aromatic  1.384  0.020  1.384
 H0N  CBE  CBD  aromatic  1.392  0.020  1.392
 H0N  CBG  CBD  single    1.506  0.020  1.506
 H0N  CAC  CAD  double    1.360  0.020  1.360
 H0N  CAC  CAB  single    1.486  0.020  1.486
 H0N  CBF  CBA  aromatic  1.388  0.020  1.388
 H0N  CBD  CBC  aromatic  1.388  0.020  1.388
 H0N  CAB  OAA  double    1.215  0.020  1.215
 H0N  CAB  NAH  single    1.362  0.020  1.362
 H0N  CBA  CL2  single    1.721  0.020  1.721
 H0N  CBA  CBB  aromatic  1.389  0.020  1.389
 H0N  NAH  CAI  single    1.389  0.020  1.389
 H0N  CBC  CBB  aromatic  1.387  0.020  1.387
 H0N  CBB  CL1  single    1.722  0.020  1.722
 H0N  CAI  CAN  aromatic  1.396  0.020  1.396
 H0N  CAI  CAJ  aromatic  1.395  0.020  1.395
 H0N  CAN  CAM  aromatic  1.381  0.020  1.381
 H0N  CAJ  CAK  aromatic  1.386  0.020  1.386
 H0N  CAM  NAL  aromatic  1.330  0.020  1.330
 H0N  CAK  NAL  aromatic  1.327  0.020  1.327
 H0N  CBC  H1   single    0.930  0.020  1.080
 H0N  CBF  H2   single    0.930  0.020  1.080
 H0N  CBE  H3   single    0.930  0.020  1.080
 H0N  CBG  H4   single    0.970  0.020  1.090
 H0N  CBG  H5   single    0.970  0.020  1.090
 H0N  CAD  H6   single    0.930  0.020  1.080
 H0N  CAQ  H7   single    0.930  0.020  1.080
 H0N  CAT  H8   single    0.970  0.020  1.090
 H0N  CAU  H9   single    0.970  0.020  1.090
 H0N  CAU  H10  single    0.970  0.020  1.090
 H0N  CAV  H11  single    0.970  0.020  1.090
 H0N  CAV  H12  single    0.970  0.020  1.090
 H0N  NAW  H13  single    0.890  0.020  1.040
 H0N  CAX  H15  single    0.970  0.020  1.090
 H0N  CAX  H16  single    0.970  0.020  1.090
 H0N  CAY  H17  single    0.970  0.020  1.090
 H0N  CAY  H18  single    0.970  0.020  1.090
 H0N  NAH  H19  single    0.860  0.020  1.020
 H0N  CAJ  H20  single    0.930  0.020  1.080
 H0N  CAK  H21  single    0.930  0.020  1.080
 H0N  CAM  H22  single    0.930  0.020  1.080
 H0N  CAN  H23  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
 H0N  H1   CBC  CBD  120.36  3.000
 H0N  H1   CBC  CBB  119.04  3.000
 H0N  CBD  CBC  CBB  120.60  3.000
 H0N  CBA  CBB  CL1  120.73  3.000
 H0N  CL1  CBB  CBC  119.31  3.000
 H0N  CBA  CBB  CBC  119.96  3.000
 H0N  CBF  CBA  CL2  119.60  3.000
 H0N  CL2  CBA  CBB  120.70  3.000
 H0N  CBF  CBA  CBB  119.70  3.000
 H0N  H2   CBF  CBE  120.25  3.000
 H0N  H2   CBF  CBA  119.61  3.000
 H0N  CBE  CBF  CBA  120.14  3.000
 H0N  H3   CBE  CBD  120.23  3.000
 H0N  H3   CBE  CBF  119.23  3.000
 H0N  CBD  CBE  CBF  120.54  3.000
 H0N  CBG  CBD  CBE  121.13  3.000
 H0N  CBG  CBD  CBC  119.81  3.000
 H0N  CBE  CBD  CBC  119.05  3.000
 H0N  H5   CBG  H4   107.16  3.000
 H0N  H5   CBG  NAE  108.32  3.000
 H0N  H4   CBG  NAE  107.82  3.000
 H0N  H5   CBG  CBD  110.92  3.000
 H0N  H4   CBG  CBD  110.57  3.000
 H0N  NAE  CBG  CBD  111.87  3.000
 H0N  CAF  NAE  CAD  122.99  3.000
 H0N  CAD  NAE  CBG  117.81  3.000
 H0N  CAF  NAE  CBG  119.04  3.000
 H0N  H6   CAD  CAC  120.30  3.000
 H0N  H6   CAD  NAE  114.56  3.000
 H0N  CAC  CAD  NAE  125.10  3.000
 H0N  CAP  CAF  OAG  125.42  3.000
 H0N  CAP  CAF  NAE  113.04  3.000
 H0N  OAG  CAF  NAE  121.54  3.000
 H0N  CAO  CAP  CAQ  104.98  3.000
 H0N  CAO  CAP  CAF  123.74  3.000
 H0N  CAQ  CAP  CAF  131.24  3.000
 H0N  H7   CAQ  NAR  121.01  3.000
 H0N  H7   CAQ  CAP  128.70  3.000
 H0N  NAR  CAQ  CAP  110.29  3.000
 H0N  NAS  NAR  CAQ  107.07  3.000
 H0N  CAO  NAS  CAT  130.24  3.000
 H0N  CAO  NAS  NAR  111.52  3.000
 H0N  CAT  NAS  NAR  118.16  3.000
 H0N  H8   CAT  CAY  107.39  3.000
 H0N  H8   CAT  CAU  108.71  3.000
 H0N  CAY  CAT  CAU  110.77  3.000
 H0N  H8   CAT  NAS  106.69  3.000
 H0N  CAU  CAT  NAS  111.70  3.000
 H0N  CAY  CAT  NAS  111.37  3.000
 H0N  H10  CAU  H9   107.89  3.000
 H0N  H10  CAU  CAV  109.98  3.000
 H0N  H9   CAU  CAV  109.73  3.000
 H0N  H10  CAU  CAT  110.13  3.000
 H0N  H9   CAU  CAT  109.57  3.000
 H0N  CAV  CAU  CAT  109.51  3.000
 H0N  H12  CAV  H11  106.77  3.000
 H0N  H12  CAV  NAW  112.60  3.000
 H0N  H11  CAV  NAW  109.07  3.000
 H0N  H12  CAV  CAU  108.62  3.000
 H0N  H11  CAV  CAU  109.61  3.000
 H0N  NAW  CAV  CAU  110.09  3.000
 H0N  H13  NAW  CAX  109.47  3.000
 H0N  H13  NAW  CAV  109.50  3.000
 H0N  CAX  NAW  CAV  111.74  3.000
 H0N  H16  CAX  H15  106.74  3.000
 H0N  H16  CAX  CAY  108.95  3.000
 H0N  H15  CAX  CAY  109.51  3.000
 H0N  H16  CAX  NAW  112.60  3.000
 H0N  H15  CAX  NAW  109.01  3.000
 H0N  CAY  CAX  NAW  109.95  3.000
 H0N  H18  CAY  H17  107.76  3.000
 H0N  H18  CAY  CAX  109.52  3.000
 H0N  H17  CAY  CAX  109.97  3.000
 H0N  H18  CAY  CAT  110.25  3.000
 H0N  H17  CAY  CAT  110.15  3.000
 H0N  CAX  CAY  CAT  109.17  3.000
 H0N  CAC  CAO  NAS  133.96  3.000
 H0N  CAC  CAO  CAP  119.89  3.000
 H0N  NAS  CAO  CAP  106.12  3.000
 H0N  CAB  CAC  CAO  125.51  3.000
 H0N  CAB  CAC  CAD  118.47  3.000
 H0N  CAO  CAC  CAD  115.12  3.000
 H0N  NAH  CAB  OAA  124.28  3.000
 H0N  NAH  CAB  CAC  114.02  3.000
 H0N  OAA  CAB  CAC  121.67  3.000
 H0N  H19  NAH  CAI  115.03  3.000
 H0N  H19  NAH  CAB  116.25  3.000
 H0N  CAI  NAH  CAB  128.63  3.000
 H0N  CAN  CAI  CAJ  117.52  3.000
 H0N  CAJ  CAI  NAH  125.23  3.000
 H0N  CAN  CAI  NAH  117.24  3.000
 H0N  H20  CAJ  CAK  119.34  3.000
 H0N  H20  CAJ  CAI  122.61  3.000
 H0N  CAK  CAJ  CAI  118.05  3.000
 H0N  H21  CAK  NAL  116.46  3.000
 H0N  H21  CAK  CAJ  118.67  3.000
 H0N  NAL  CAK  CAJ  124.87  3.000
 H0N  CAM  NAL  CAK  116.53  3.000
 H0N  H22  CAM  CAN  119.37  3.000
 H0N  H22  CAM  NAL  116.78  3.000
 H0N  CAN  CAM  NAL  123.86  3.000
 H0N  H23  CAN  CAM  119.90  3.000
 H0N  H23  CAN  CAI  120.93  3.000
 H0N  CAM  CAN  CAI  119.17  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
 H0N  CONST_01  CBF  CBE  CBD  CBC     0.00   0.0  0
 H0N  CONST_02  CBF  CBA  CBB  CBC     0.00   0.0  0
 H0N  CONST_03  CBE  CBF  CBA  CBB     0.00   0.0  0
 H0N  CONST_04  CBE  CBD  CBC  CBB     0.00   0.0  0
 H0N  CONST_05  CBD  CBE  CBF  CBA     0.00   0.0  0
 H0N  CONST_06  CBD  CBC  CBB  CBA     0.00   0.0  0
 H0N  CONST_07  NAS  NAR  CAQ  CAP     0.00   0.0  0
 H0N  CONST_08  NAR  NAS  CAO  CAP     0.00   0.0  0
 H0N  CONST_09  CAO  NAS  NAR  CAQ     0.00   0.0  0
 H0N  CONST_10  NAS  CAO  CAP  CAQ     0.00   0.0  0
 H0N  CONST_11  CAO  CAP  CAQ  NAR     0.00   0.0  0
 H0N  CONST_12  NAL  CAM  CAN  CAI     0.00   0.0  0
 H0N  CONST_13  NAL  CAK  CAJ  CAI     0.00   0.0  0
 H0N  CONST_14  CAM  CAN  CAI  CAJ     0.00   0.0  0
 H0N  CONST_15  CAM  NAL  CAK  CAJ     0.00   0.0  0
 H0N  CONST_16  CAN  CAI  CAJ  CAK     0.00   0.0  0
 H0N  CONST_17  CAN  CAM  NAL  CAK     0.00   0.0  0
 H0N  CONST_18  CAT  NAS  CAO  CAP   180.00   0.0  0
 H0N  CONST_19  CAT  NAS  NAR  CAQ   180.00   0.0  0
 H0N  CONST_20  CAC  CAO  NAS  CAT     0.00   0.0  0
 H0N  CONST_21  CAP  CAF  NAE  CAD     0.00   0.0  0
 H0N  CONST_22  CL2  CBA  CBB  CBC   180.00   0.0  0
 H0N  CONST_23  CBG  CBD  CBC  CBB   180.00   0.0  0
 H0N  CONST_24  CBF  CBA  CBB  CL1   180.00   0.0  0
 H0N  CONST_25  CBD  CBC  CBB  CL1   180.00   0.0  0
 H0N  CONST_26  CBE  CBF  CBA  CL2   180.00   0.0  0
 H0N  CONST_27  CBG  CBD  CBE  CBF   180.00   0.0  0
 H0N  CONST_28  CAM  CAN  CAI  NAH   180.00   0.0  0
 H0N  CONST_29  CAK  CAJ  CAI  NAH   180.00   0.0  0
 H0N  CONST_30  CAP  CAF  NAE  CBG   180.00   0.0  0
 H0N  CONST_31  OAG  CAF  NAE  CAD   180.00   0.0  0
 H0N  CONST_32  H3   CBE  CBD  CBC   180.00   0.0  0
 H0N  CONST_33  H2   CBF  CBA  CBB   180.00   0.0  0
 H0N  CONST_34  H1   CBC  CBB  CBA   180.00   0.0  0
 H0N  CONST_35  H7   CAQ  CAP  CAF     0.00   0.0  0
 H0N  CONST_36  H22  CAM  CAN  CAI   180.00   0.0  0
 H0N  CONST_37  H21  CAK  CAJ  CAI   180.00   0.0  0
 H0N  CONST_38  H23  CAN  CAI  CAJ   180.00   0.0  0
 H0N  CONST_39  H20  CAJ  CAK  NAL   180.00   0.0  0
 H0N  CONST_40  CAI  NAH  CAB  CAC   180.00   0.0  0
 H0N  CONST_41  CAN  CAI  NAH  CAB   180.00   0.0  0
 H0N  CONST_42  CAJ  CAI  NAH  CAB     0.00   0.0  0
 H0N  CONST_43  OAG  CAF  NAE  CBG     0.00   0.0  0
 H0N  CONST_44  H19  NAH  CAI  CAJ   180.00   0.0  0
 H0N  CONST_45  CAI  NAH  CAB  OAA     0.00   0.0  0
 H0N  Var_01    NAW  CAX  CAY  CAT   -57.83  30.0  1
 H0N  Var_02    NAW  CAV  CAU  CAT    57.02  30.0  1
 H0N  Var_03    CAX  NAW  CAV  CAU   -61.64  30.0  1
 H0N  Var_04    CAY  CAX  NAW  CAV    62.13  30.0  1
 H0N  Var_05    NAE  CBG  CBD  CBC   -99.32  30.0  2
 H0N  Var_06    CAF  NAE  CBG  CBD   -93.74  30.0  1
 H0N  Var_07    OAA  CAB  CAC  CAD  -127.39  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
 H0N  chir_01  CAT  CAY  NAS  CAU  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
 H0N  plan-1  CBC  0.020
 H0N  plan-1  CBB  0.020
 H0N  plan-1  CL1  0.020
 H0N  plan-1  CBA  0.020
 H0N  plan-1  CL2  0.020
 H0N  plan-1  CBF  0.020
 H0N  plan-1  CBE  0.020
 H0N  plan-1  CBD  0.020
 H0N  plan-1  CBG  0.020
 H0N  plan-1  H1   0.020
 H0N  plan-1  H2   0.020
 H0N  plan-1  H3   0.020
 H0N  plan-2  NAH  0.020
 H0N  plan-2  CAI  0.020
 H0N  plan-2  CAJ  0.020
 H0N  plan-2  CAK  0.020
 H0N  plan-2  NAL  0.020
 H0N  plan-2  CAM  0.020
 H0N  plan-2  CAN  0.020
 H0N  plan-2  H20  0.020
 H0N  plan-2  H21  0.020
 H0N  plan-2  H22  0.020
 H0N  plan-2  H23  0.020
 H0N  plan-3  CBG  0.020
 H0N  plan-3  NAE  0.020
 H0N  plan-3  CAD  0.020
 H0N  plan-3  CAF  0.020
 H0N  plan-3  OAG  0.020
 H0N  plan-3  CAP  0.020
 H0N  plan-3  CAQ  0.020
 H0N  plan-3  NAR  0.020
 H0N  plan-3  NAS  0.020
 H0N  plan-3  CAT  0.020
 H0N  plan-3  CAO  0.020
 H0N  plan-3  CAC  0.020
 H0N  plan-3  CAB  0.020
 H0N  plan-3  H6   0.020
 H0N  plan-3  H7   0.020
 H0N  plan-4  CAC  0.020
 H0N  plan-4  CAB  0.020
 H0N  plan-4  OAA  0.020
 H0N  plan-4  NAH  0.020
 H0N  plan-4  CAI  0.020
 H0N  plan-4  H19  0.020

