# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 12 00:58:58 2020
#   Inital geometry file: a 143 line input string
#   Ligand name: 3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)c1nn(c2ccc(cc2C)C(N)=O)c3nccc(n4cnc(c4)c5cnn(C)c5)c13
#
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
 9J0  9J0  3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide  ligand  57  33  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_9J0
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
 9J0  O32  O  O     0  -0.478    8.4251  -0.7650  -0.7245
 9J0  C31  C  C     0   0.491    7.8095   0.1414  -0.1807
 9J0  N33  N  NH2   0  -0.812    8.4093   1.2294   0.3243
 9J0  C27  C  CR6   0  -0.015    6.3197   0.0837  -0.0414
 9J0  C26  C  CR16  0  -0.337    5.6110  -0.7294  -0.9202
 9J0  C25  C  CR6   0   0.113    4.2265  -0.8399  -0.8714
 9J0  C30  C  CH3   0  -0.721    3.4958  -1.6781  -1.8774
 9J0  C28  C  CR16  0  -0.309    5.6284   0.7881   0.9393
 9J0  C29  C  CR16  0  -0.258    4.2522   0.6738   1.0282
 9J0  C24  C  CR6   0   0.283    3.5616  -0.1294   0.1318
 9J0  N20  N  NR5   0  -0.500    2.1567  -0.2053   0.2389
 9J0  N19  N  N     0  -0.254    1.5326  -1.3839   0.3947
 9J0  C18  C  CR5   0   0.313    0.2439  -1.1692   0.4336
 9J0  C21  C  CH1   0  -0.356   -0.7063  -2.3227   0.5800
 9J0  C23  C  CH3   0  -0.640   -0.3663  -3.4429  -0.4021
 9J0  C22  C  CH3   0  -0.649   -0.7165  -2.8406   2.0192
 9J0  C13  C  CR56  0  -0.173   -0.0100   0.2337   0.3053
 9J0  C14  C  CR56  0   0.553    1.2654   0.8134   0.1636
 9J0  N15  N  N     0  -0.418    1.5539   2.0876  -0.0573
 9J0  C16  C  CR16  0  -0.063    0.5024   2.8780  -0.1490
 9J0  C17  C  CR16  0  -0.386   -0.8246   2.4495  -0.0095
 9J0  C12  C  CR6   0   0.362   -1.0937   1.1174   0.2330
 9J0  N10  N  NR5   0  -0.539   -2.4210   0.6921   0.4004
 9J0  C9   C  CR15  0   0.067   -2.9230   0.0175   1.4674
 9J0  N8   N  N     0  -0.447   -4.2083  -0.1509   1.3678
 9J0  C11  C  CR15  0  -0.131   -3.4819   0.9820  -0.4244
 9J0  C7   C  CR5   0   0.104   -4.5788   0.4398   0.1852
 9J0  C5   C  CR5   0  -0.176   -5.9549   0.4329  -0.2655
 9J0  C4   C  CR15  0  -0.129   -6.5180   1.0155  -1.4171
 9J0  N3   N  N     0  -0.277   -7.8167   0.7928  -1.4851
 9J0  C6   C  CR15  0   0.029   -7.0323  -0.1647   0.3587
 9J0  N2   N  NR5   0  -0.265   -8.1099   0.0759  -0.4055
 9J0  C1   C  CH3   0  -0.506   -9.4739  -0.3153  -0.1426
 9J0  H1   H  HNH2  0   0.407    9.4066   1.3341   0.2312
 9J0  H2   H  HNH2  0   0.414    7.8966   2.0366   0.6330
 9J0  H3   H  HCR6  0   0.261    6.1481  -1.2724  -1.6876
 9J0  H4   H  HCH3  0   0.260    3.1450  -2.6136  -1.4419
 9J0  H5   H  HCH3  0   0.247    2.6211  -1.1601  -2.2711
 9J0  H6   H  HCH3  0   0.253    4.1470  -1.9205  -2.7153
 9J0  H7   H  HCR6  0   0.266    6.1460   1.4021   1.6645
 9J0  H8   H  HCR6  0   0.278    3.7150   1.1965   1.8080
 9J0  H9   H  HCH1  0   0.256   -1.7091  -1.9681   0.3344
 9J0  H10  H  HCH3  0   0.227    0.6178  -3.8640  -0.1965
 9J0  H11  H  HCH3  0   0.232   -1.1010  -4.2447  -0.3241
 9J0  H12  H  HCH3  0   0.233   -0.3700  -3.0817  -1.4307
 9J0  H13  H  HCH3  0   0.237   -1.4596  -3.6301   2.1378
 9J0  H14  H  HCH3  0   0.229    0.2586  -3.2503   2.2866
 9J0  H15  H  HCH3  0   0.232   -0.9504  -2.0536   2.7373
 9J0  H16  H  HCR6  0   0.278    0.6987   3.9277  -0.3313
 9J0  H17  H  HCR6  0   0.295   -1.6250   3.1736  -0.0658
 9J0  H18  H  HCR5  0   0.294   -2.3025  -0.2917   2.2947
 9J0  H19  H  HCR5  0   0.303   -3.3541   1.5043  -1.3580
 9J0  H20  H  HCR5  0   0.255   -6.0206   1.5813  -2.1913
 9J0  H21  H  HCR5  0   0.288   -7.0945  -0.7333   1.2723
 9J0  H22  H  HCH3  0   0.259  -10.0808   0.5525   0.1107
 9J0  H23  H  HCH3  0   0.262   -9.8966  -0.8044  -1.0172
 9J0  H24  H  HCH3  0   0.259   -9.4876  -1.0109   0.6913

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
 9J0  O32  C31  double    1.223  0.020  1.223
 9J0  C16  N15  aromatic  1.319  0.020  1.319
 9J0  C16  C17  aromatic  1.401  0.020  1.401
 9J0  C28  C29  aromatic  1.384  0.020  1.384
 9J0  C28  C27  aromatic  1.391  0.020  1.391
 9J0  N15  C14  aromatic  1.325  0.020  1.325
 9J0  C17  C12  aromatic  1.380  0.020  1.380
 9J0  C31  N33  single    1.341  0.020  1.341
 9J0  C31  C27  single    1.497  0.020  1.497
 9J0  C29  C24  aromatic  1.388  0.020  1.388
 9J0  C27  C26  aromatic  1.391  0.020  1.391
 9J0  C14  C13  aromatic  1.408  0.020  1.408
 9J0  C14  N20  aromatic  1.356  0.020  1.356
 9J0  C12  N10  single    1.404  0.020  1.404
 9J0  C12  C13  aromatic  1.400  0.020  1.400
 9J0  C24  N20  single    1.411  0.020  1.411
 9J0  C24  C25  aromatic  1.398  0.020  1.398
 9J0  C26  C25  aromatic  1.390  0.020  1.390
 9J0  N10  C9   aromatic  1.358  0.020  1.358
 9J0  N10  C11  aromatic  1.375  0.020  1.375
 9J0  C13  C18  aromatic  1.431  0.020  1.431
 9J0  N20  N19  aromatic  1.343  0.020  1.343
 9J0  C9   N8   aromatic  1.300  0.020  1.300
 9J0  C11  C7   aromatic  1.367  0.020  1.367
 9J0  C25  C30  single    1.500  0.020  1.500
 9J0  N8   C7   aromatic  1.373  0.020  1.373
 9J0  C7   C5   single    1.448  0.020  1.448
 9J0  C6   C5   aromatic  1.381  0.020  1.381
 9J0  C6   N2   aromatic  1.343  0.020  1.343
 9J0  C18  N19  aromatic  1.307  0.020  1.307
 9J0  C18  C21  single    1.502  0.020  1.502
 9J0  C5   C4   aromatic  1.408  0.020  1.408
 9J0  N2   C1   single    1.443  0.020  1.443
 9J0  N2   N3   aromatic  1.329  0.020  1.329
 9J0  C4   N3   aromatic  1.319  0.020  1.319
 9J0  C21  C22  single    1.530  0.020  1.530
 9J0  C21  C23  single    1.528  0.020  1.528
 9J0  N33  H1   single    0.860  0.020  1.020
 9J0  N33  H2   single    0.860  0.020  1.020
 9J0  C26  H3   single    0.930  0.020  1.080
 9J0  C30  H4   single    0.970  0.020  1.090
 9J0  C30  H5   single    0.970  0.020  1.090
 9J0  C30  H6   single    0.970  0.020  1.090
 9J0  C28  H7   single    0.930  0.020  1.080
 9J0  C29  H8   single    0.930  0.020  1.080
 9J0  C21  H9   single    0.970  0.020  1.090
 9J0  C23  H10  single    0.970  0.020  1.090
 9J0  C23  H11  single    0.970  0.020  1.090
 9J0  C23  H12  single    0.970  0.020  1.090
 9J0  C22  H13  single    0.970  0.020  1.090
 9J0  C22  H14  single    0.970  0.020  1.090
 9J0  C22  H15  single    0.970  0.020  1.090
 9J0  C16  H16  single    0.930  0.020  1.080
 9J0  C17  H17  single    0.930  0.020  1.080
 9J0  C9   H18  single    0.930  0.020  1.080
 9J0  C11  H19  single    0.930  0.020  1.080
 9J0  C4   H20  single    0.930  0.020  1.080
 9J0  C6   H21  single    0.930  0.020  1.080
 9J0  C1   H22  single    0.970  0.020  1.090
 9J0  C1   H23  single    0.970  0.020  1.090
 9J0  C1   H24  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
 9J0  C27  C31  N33  116.18  3.000
 9J0  C27  C31  O32  120.90  3.000
 9J0  N33  C31  O32  122.92  3.000
 9J0  H2   N33  H1   116.75  3.000
 9J0  H2   N33  C31  122.63  3.000
 9J0  H1   N33  C31  119.50  3.000
 9J0  C28  C27  C26  119.21  3.000
 9J0  C26  C27  C31  118.07  3.000
 9J0  C28  C27  C31  122.71  3.000
 9J0  H3   C26  C25  118.64  3.000
 9J0  H3   C26  C27  119.22  3.000
 9J0  C25  C26  C27  122.12  3.000
 9J0  C24  C25  C30  122.27  3.000
 9J0  C30  C25  C26  120.42  3.000
 9J0  C24  C25  C26  117.31  3.000
 9J0  H6   C30  H5   107.93  3.000
 9J0  H6   C30  H4   108.00  3.000
 9J0  H5   C30  H4   107.09  3.000
 9J0  H6   C30  C25  110.45  3.000
 9J0  H5   C30  C25  111.57  3.000
 9J0  H4   C30  C25  111.63  3.000
 9J0  H7   C28  C29  118.66  3.000
 9J0  H7   C28  C27  121.46  3.000
 9J0  C29  C28  C27  119.84  3.000
 9J0  H8   C29  C24  119.89  3.000
 9J0  H8   C29  C28  120.02  3.000
 9J0  C24  C29  C28  120.08  3.000
 9J0  N20  C24  C29  118.53  3.000
 9J0  N20  C24  C25  120.05  3.000
 9J0  C29  C24  C25  121.41  3.000
 9J0  C14  N20  N19  111.13  3.000
 9J0  N19  N20  C24  121.25  3.000
 9J0  C14  N20  C24  127.58  3.000
 9J0  C18  N19  N20  108.51  3.000
 9J0  C13  C18  C21  130.49  3.000
 9J0  C21  C18  N19  120.04  3.000
 9J0  C13  C18  N19  109.46  3.000
 9J0  H9   C21  C22  108.40  3.000
 9J0  H9   C21  C23  107.34  3.000
 9J0  C22  C21  C23  110.97  3.000
 9J0  H9   C21  C18  108.05  3.000
 9J0  C23  C21  C18  111.08  3.000
 9J0  C22  C21  C18  110.86  3.000
 9J0  H12  C23  H11  107.99  3.000
 9J0  H12  C23  H10  108.00  3.000
 9J0  H11  C23  H10  108.11  3.000
 9J0  H12  C23  C21  111.27  3.000
 9J0  H11  C23  C21  110.07  3.000
 9J0  H10  C23  C21  111.28  3.000
 9J0  H15  C22  H14  107.53  3.000
 9J0  H15  C22  H13  107.73  3.000
 9J0  H14  C22  H13  108.09  3.000
 9J0  H15  C22  C21  112.12  3.000
 9J0  H14  C22  C21  110.60  3.000
 9J0  H13  C22  C21  110.61  3.000
 9J0  C12  C13  C14  115.85  3.000
 9J0  C12  C13  C18  139.50  3.000
 9J0  C14  C13  C18  104.59  3.000
 9J0  N15  C14  C13  127.58  3.000
 9J0  C13  C14  N20  106.29  3.000
 9J0  N15  C14  N20  126.07  3.000
 9J0  C16  N15  C14  114.48  3.000
 9J0  H16  C16  C17  118.99  3.000
 9J0  H16  C16  N15  116.61  3.000
 9J0  C17  C16  N15  124.40  3.000
 9J0  H17  C17  C12  120.75  3.000
 9J0  H17  C17  C16  119.42  3.000
 9J0  C12  C17  C16  119.81  3.000
 9J0  N10  C12  C17  119.84  3.000
 9J0  N10  C12  C13  122.30  3.000
 9J0  C17  C12  C13  117.85  3.000
 9J0  C11  N10  C9   106.91  3.000
 9J0  C11  N10  C12  126.46  3.000
 9J0  C9   N10  C12  126.41  3.000
 9J0  H18  C9   N8   126.15  3.000
 9J0  H18  C9   N10  122.13  3.000
 9J0  N8   C9   N10  111.68  3.000
 9J0  C7   N8   C9   106.08  3.000
 9J0  H19  C11  C7   132.37  3.000
 9J0  H19  C11  N10  122.05  3.000
 9J0  C7   C11  N10  105.54  3.000
 9J0  C5   C7   C11  128.72  3.000
 9J0  C5   C7   N8   121.50  3.000
 9J0  C11  C7   N8   109.77  3.000
 9J0  C6   C5   C4   103.69  3.000
 9J0  C4   C5   C7   129.24  3.000
 9J0  C6   C5   C7   127.06  3.000
 9J0  H20  C4   N3   120.31  3.000
 9J0  H20  C4   C5   128.22  3.000
 9J0  N3   C4   C5   111.46  3.000
 9J0  N2   N3   C4   105.45  3.000
 9J0  H21  C6   N2   122.05  3.000
 9J0  H21  C6   C5   131.02  3.000
 9J0  N2   C6   C5   106.93  3.000
 9J0  C1   N2   C6   127.31  3.000
 9J0  C1   N2   N3   120.19  3.000
 9J0  C6   N2   N3   112.46  3.000
 9J0  H24  C1   H23  108.94  3.000
 9J0  H24  C1   H22  108.95  3.000
 9J0  H23  C1   H22  109.20  3.000
 9J0  H24  C1   N2   109.00  3.000
 9J0  H23  C1   N2   110.04  3.000
 9J0  H22  C1   N2   110.68  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
 9J0  CONST_01  C24  C29  C28  C27    0.00   0.0  0
 9J0  CONST_02  C24  C25  C26  C27    0.00   0.0  0
 9J0  CONST_03  C29  C28  C27  C26    0.00   0.0  0
 9J0  CONST_04  C29  C24  C25  C26    0.00   0.0  0
 9J0  CONST_05  N20  C24  C25  C26  180.00   0.0  0
 9J0  CONST_06  C28  C29  C24  C25    0.00   0.0  0
 9J0  CONST_09  C28  C27  C26  C25    0.00   0.0  0
 9J0  CONST_10  N20  C24  C29  C28  180.00   0.0  0
 9J0  CONST_13  N15  C14  N20  C24    0.00   0.0  0
 9J0  CONST_14  C13  C14  N20  C24  180.00   0.0  0
 9J0  CONST_15  C18  N19  N20  C24  180.00   0.0  0
 9J0  CONST_16  C16  N15  C14  N20  180.00   0.0  0
 9J0  CONST_17  C12  C13  C14  N20  180.00   0.0  0
 9J0  CONST_18  C18  C13  C14  N20    0.00   0.0  0
 9J0  CONST_19  C13  C18  N19  N20    0.00   0.0  0
 9J0  CONST_20  N15  C14  N20  N19  180.00   0.0  0
 9J0  CONST_21  C13  C14  N20  N19    0.00   0.0  0
 9J0  CONST_22  C14  C13  C18  N19    0.00   0.0  0
 9J0  CONST_23  C12  C13  C18  N19  180.00   0.0  0
 9J0  CONST_24  N15  C14  C13  C18  180.00   0.0  0
 9J0  CONST_25  C17  C12  C13  C18  180.00   0.0  0
 9J0  CONST_26  N10  C12  C13  C18    0.00   0.0  0
 9J0  CONST_27  C14  N20  N19  C18    0.00   0.0  0
 9J0  CONST_28  C16  N15  C14  C13    0.00   0.0  0
 9J0  CONST_29  C16  C17  C12  C13    0.00   0.0  0
 9J0  CONST_32  C17  C16  N15  C14    0.00   0.0  0
 9J0  CONST_33  C17  C12  C13  C14    0.00   0.0  0
 9J0  CONST_34  N10  C12  C13  C14  180.00   0.0  0
 9J0  CONST_35  C12  C17  C16  N15    0.00   0.0  0
 9J0  CONST_36  C12  C13  C14  N15    0.00   0.0  0
 9J0  CONST_37  N10  C12  C17  C16  180.00   0.0  0
 9J0  CONST_40  N8   C9   N10  C12  180.00   0.0  0
 9J0  CONST_41  C7   C11  N10  C12  180.00   0.0  0
 9J0  CONST_42  C7   N8   C9   N10    0.00   0.0  0
 9J0  CONST_43  N8   C7   C11  N10    0.00   0.0  0
 9J0  CONST_44  C5   C7   C11  N10  180.00   0.0  0
 9J0  CONST_45  C7   C11  N10  C9     0.00   0.0  0
 9J0  CONST_46  C11  C7   N8   C9     0.00   0.0  0
 9J0  CONST_47  C5   C7   N8   C9   180.00   0.0  0
 9J0  CONST_48  C11  N10  C9   N8     0.00   0.0  0
 9J0  CONST_49  C6   C5   C7   N8     0.00   0.0  0
 9J0  CONST_50  C4   C5   C7   N8   180.00   0.0  0
 9J0  CONST_51  C6   C5   C7   C11  180.00   0.0  0
 9J0  CONST_52  C4   C5   C7   C11    0.00   0.0  0
 9J0  CONST_53  N2   C6   C5   C7   180.00   0.0  0
 9J0  CONST_54  N3   C4   C5   C7   180.00   0.0  0
 9J0  CONST_55  N3   N2   C6   C5     0.00   0.0  0
 9J0  CONST_56  N2   N3   C4   C5     0.00   0.0  0
 9J0  CONST_57  N2   C6   C5   C4     0.00   0.0  0
 9J0  CONST_58  C6   N2   N3   C4     0.00   0.0  0
 9J0  CONST_59  C6   C5   C4   N3     0.00   0.0  0
 9J0  CONST_60  C29  C28  C27  C31  180.00   0.0  0
 9J0  CONST_61  C25  C26  C27  C31  180.00   0.0  0
 9J0  CONST_62  C30  C25  C26  C27  180.00   0.0  0
 9J0  CONST_63  C29  C24  C25  C30  180.00   0.0  0
 9J0  CONST_64  N20  C24  C25  C30    0.00   0.0  0
 9J0  CONST_65  C21  C18  N19  N20  180.00   0.0  0
 9J0  CONST_66  C14  C13  C18  C21  180.00   0.0  0
 9J0  CONST_67  C12  C13  C18  C21    0.00   0.0  0
 9J0  CONST_68  C1   N2   C6   C5   180.00   0.0  0
 9J0  CONST_69  C1   N2   N3   C4   180.00   0.0  0
 9J0  CONST_70  H8   C29  C28  C27  180.00   0.0  0
 9J0  CONST_71  H7   C28  C27  C26  180.00   0.0  0
 9J0  CONST_72  H3   C26  C27  C28  180.00   0.0  0
 9J0  CONST_73  H17  C17  C12  C13  180.00   0.0  0
 9J0  CONST_74  H16  C16  N15  C14  180.00   0.0  0
 9J0  CONST_75  H18  C9   N10  C12    0.00   0.0  0
 9J0  CONST_76  H19  C11  N10  C12    0.00   0.0  0
 9J0  CONST_77  H21  C6   C5   C7     0.00   0.0  0
 9J0  CONST_78  H20  C4   C5   C7     0.00   0.0  0
 9J0  CONST_79  H1   N33  C31  C27  180.00   0.0  0
 9J0  CONST_80  H2   N33  C31  C27    0.00   0.0  0
 9J0  Var_01    C28  C27  C31  O32  156.29  30.0  2
 9J0  Var_02    C22  C21  C18  N19   75.73  30.0  2
 9J0  Var_03    H4   C30  C25  C26  105.66  30.0  2
 9J0  Var_04    H22  C1   N2   N3   -68.57  30.0  2
 9J0  Var_05    H13  C22  C21  C18  175.92  30.0  3
 9J0  Var_06    H10  C23  C21  C18   63.59  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
 9J0  plan-1  C12  0.020
 9J0  plan-1  N10  0.020
 9J0  plan-1  C9   0.020
 9J0  plan-1  N8   0.020
 9J0  plan-1  C11  0.020
 9J0  plan-1  C7   0.020
 9J0  plan-1  C5   0.020
 9J0  plan-1  H18  0.020
 9J0  plan-1  H19  0.020
 9J0  plan-2  C7   0.020
 9J0  plan-2  C5   0.020
 9J0  plan-2  C4   0.020
 9J0  plan-2  N3   0.020
 9J0  plan-2  C6   0.020
 9J0  plan-2  N2   0.020
 9J0  plan-2  C1   0.020
 9J0  plan-2  H20  0.020
 9J0  plan-2  H21  0.020
 9J0  plan-3  C31  0.020
 9J0  plan-3  C27  0.020
 9J0  plan-3  C26  0.020
 9J0  plan-3  C25  0.020
 9J0  plan-3  C30  0.020
 9J0  plan-3  C28  0.020
 9J0  plan-3  C29  0.020
 9J0  plan-3  C24  0.020
 9J0  plan-3  N20  0.020
 9J0  plan-3  H3   0.020
 9J0  plan-3  H7   0.020
 9J0  plan-3  H8   0.020
 9J0  plan-4  C24  0.020
 9J0  plan-4  N20  0.020
 9J0  plan-4  N19  0.020
 9J0  plan-4  C18  0.020
 9J0  plan-4  C21  0.020
 9J0  plan-4  C13  0.020
 9J0  plan-4  C14  0.020
 9J0  plan-4  N15  0.020
 9J0  plan-4  C16  0.020
 9J0  plan-4  C17  0.020
 9J0  plan-4  C12  0.020
 9J0  plan-4  N10  0.020
 9J0  plan-4  H16  0.020
 9J0  plan-4  H17  0.020
 9J0  plan-5  O32  0.020
 9J0  plan-5  C31  0.020
 9J0  plan-5  N33  0.020
 9J0  plan-5  C27  0.020
 9J0  plan-5  H1   0.020
 9J0  plan-5  H2   0.020

