# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Apr 16 10:16:44 2020
#   Inital geometry file: a 145 line input string
#   Ligand name: (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)c1nc2ccc(cc2c(Cl)c1c3ccccc3)[C@](O)(c4ccncc4)c5cncn5C
#
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
 88J  88J  (S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol  ligand  58  34  .  2022-07-23  2022-07-26
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK (reasonable std)
;

data_comp_88J
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
 88J  C18   C   CR16  0  -0.260   6.9470   1.6775   0.7136
 88J  C17   C   CR16  0  -0.247   6.1304   2.2586  -0.2479
 88J  C19   C   CR16  0  -0.245   6.5277   0.5263   1.3670
 88J  C16   C   CR16  0  -0.262   4.9012   1.6929  -0.5527
 88J  C20   C   CR16  0  -0.257   5.3012  -0.0435   1.0584
 88J  C8    C   CR16  0  -0.271  -1.6105  -1.6106  -0.1990
 88J  C7    C   CR16  0  -0.290  -0.4113  -2.2135  -0.4643
 88J  C30   C   CR16  0  -0.370  -4.0063  -0.7300   2.3860
 88J  C34   C   CR16  0  -0.362  -4.9135  -1.2504   0.2576
 88J  C10   C   CR16  0  -0.362  -0.5127   0.4815   0.2082
 88J  C31   C   CR16  0  -0.060  -4.8971  -1.6426   2.9283
 88J  C33   C   CR16  0  -0.060  -5.7655  -2.1391   0.8973
 88J  C24   C   CR15  0  -0.233  -3.0291   0.7973  -2.2125
 88J  C26   C   CR15  0   0.083  -4.7845   1.9669  -2.4197
 88J  C11   C   CR66  0   0.164   0.7336  -0.1210  -0.0449
 88J  C15   C   CR6   0   0.002   4.4766   0.5354   0.0965
 88J  C14   C   CR6   0   0.030   3.1701  -0.0923  -0.2070
 88J  C9    C   CR6   0   0.035  -1.6776  -0.2436   0.1382
 88J  C29   C   CR6   0   0.164  -4.0069  -0.5168   1.0124
 88J  C6    C   CR66  0   0.180   0.7950  -1.4850  -0.4044
 88J  C12   C   CR6   0  -0.048   1.9893   0.5367   0.0704
 88J  C23   C   CR5   0   0.313  -3.5213   0.9638  -0.9466
 88J  C4    C   CR6   0   0.448   3.0826  -1.4621  -0.6699
 88J  C1    C   CH3   0  -0.524   4.1220  -3.5964  -1.0965
 88J  C3    C   CH3   0  -0.534   5.2408  -1.5953  -1.8551
 88J  C21   C   CT    0   0.102  -3.0162   0.4605   0.3731
 88J  N32   N   N     0  -0.403  -5.7686  -2.3396   2.2083
 88J  N25   N   N     0  -0.448  -3.8245   1.4248  -3.1233
 88J  N5    N   N     0  -0.499   1.9460  -2.1108  -0.7173
 88J  N27   N   NR5   0  -0.438  -4.6580   1.7212  -1.0998
 88J  N2    N   NT    0  -0.476   4.2155  -2.1562  -0.9942
 88J  O22   O   OH1   0  -0.651  -2.8540   1.5996   1.1858
 88J  CL13  CL  CL    0  -0.099   1.9979   2.1512   0.6868
 88J  H46   H   HCR6  0   0.258   7.9063   2.1187   0.9514
 88J  H45   H   HCR6  0   0.258   6.4509   3.1542  -0.7642
 88J  H47   H   HCR6  0   0.258   7.1566   0.0691   2.1199
 88J  H44   H   HCR6  0   0.259   4.2772   2.1433  -1.3141
 88J  H48   H   HCR6  0   0.254   4.9832  -0.9443   1.5675
 88J  H42   H   HCR6  0   0.268  -2.5120  -2.2054  -0.2544
 88J  H41   H   HCR6  0   0.262  -0.3675  -3.2616  -0.7301
 88J  H55   H   HCR6  0   0.263  -3.3296  -0.2139   3.0543
 88J  H58   H   HCR6  0   0.281  -4.9701  -1.1445  -0.8181
 88J  H43   H   HCR6  0   0.262  -0.5481   1.5352   0.4476
 88J  H56   H   HCR6  0   0.269  -4.9037  -1.8148   3.9987
 88J  H57   H   HCR6  0   0.269  -6.4788  -2.7111   0.3147
 88J  H50   H   HCR5  0   0.257  -2.1441   0.2551  -2.5084
 88J  H51   H   HCR5  0   0.281  -5.6023   2.5556  -2.8091
 88J  H54   H   HCH3  0   0.258  -6.0110   1.3769   0.4696
 88J  H53   H   HCH3  0   0.265  -5.0650   2.8671   0.6137
 88J  H52   H   HCH3  0   0.266  -6.3696   2.7515  -0.5739
 88J  H36   H   HCH3  0   0.223   3.6574  -3.9259  -2.0315
 88J  H37   H   HCH3  0   0.240   5.1315  -4.0051  -1.0567
 88J  H35   H   HCH3  0   0.247   3.5519  -4.0081  -0.2677
 88J  H38   H   HCH3  0   0.262   5.1413  -0.5220  -1.9657
 88J  H39   H   HCH3  0   0.240   6.2357  -1.8060  -1.4606
 88J  H40   H   HCH3  0   0.241   5.1691  -2.0346  -2.8551
 88J  H49   H   HOH1  0   0.461  -2.3835   1.3605   1.9928
 88J  C28   C   CH3   0  -0.525  -5.5700   2.2038  -0.0827

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
 88J  C17   C18  aromatic  1.389  0.020  1.389
 88J  C17   C16  aromatic  1.387  0.020  1.387
 88J  C18   C19  aromatic  1.389  0.020  1.389
 88J  C16   C15  aromatic  1.393  0.020  1.393
 88J  C19   C20  aromatic  1.387  0.020  1.387
 88J  CL13  C12  single    1.728  0.020  1.728
 88J  C15   C20  aromatic  1.393  0.020  1.393
 88J  C15   C14  single    1.481  0.020  1.481
 88J  C12   C14  aromatic  1.366  0.020  1.366
 88J  C12   C11  aromatic  1.422  0.020  1.422
 88J  C14   C4   aromatic  1.449  0.020  1.449
 88J  O22   C21  single    1.409  0.020  1.409
 88J  C1    N2   single    1.447  0.020  1.447
 88J  C10   C11  aromatic  1.407  0.020  1.407
 88J  C10   C9   aromatic  1.374  0.020  1.374
 88J  C11   C6   aromatic  1.412  0.020  1.412
 88J  C28   N27  single    1.449  0.020  1.449
 88J  C4    N2   single    1.368  0.020  1.368
 88J  C4    N5   aromatic  1.310  0.020  1.310
 88J  N2    C3   single    1.452  0.020  1.452
 88J  N27   C26  aromatic  1.349  0.020  1.349
 88J  N27   C23  aromatic  1.375  0.020  1.375
 88J  C21   C23  single    1.500  0.020  1.500
 88J  C21   C9   single    1.531  0.020  1.531
 88J  C21   C29  single    1.531  0.020  1.531
 88J  C26   N25  aromatic  1.308  0.020  1.308
 88J  C23   C24  aromatic  1.368  0.020  1.368
 88J  C9    C8   aromatic  1.410  0.020  1.410
 88J  N25   C24  aromatic  1.362  0.020  1.362
 88J  C6    N5   aromatic  1.347  0.020  1.347
 88J  C6    C7   aromatic  1.410  0.020  1.410
 88J  C30   C29  aromatic  1.390  0.020  1.390
 88J  C30   C31  aromatic  1.386  0.020  1.386
 88J  C29   C34  aromatic  1.389  0.020  1.389
 88J  C8    C7   aromatic  1.368  0.020  1.368
 88J  C31   N32  aromatic  1.328  0.020  1.328
 88J  C34   C33  aromatic  1.387  0.020  1.387
 88J  N32   C33  aromatic  1.326  0.020  1.326
 88J  C18   H46  single    0.930  0.020  1.080
 88J  C17   H45  single    0.930  0.020  1.080
 88J  C19   H47  single    0.930  0.020  1.080
 88J  C16   H44  single    0.930  0.020  1.080
 88J  C20   H48  single    0.930  0.020  1.080
 88J  C8    H42  single    0.930  0.020  1.080
 88J  C7    H41  single    0.930  0.020  1.080
 88J  C30   H55  single    0.930  0.020  1.080
 88J  C34   H58  single    0.930  0.020  1.080
 88J  C10   H43  single    0.930  0.020  1.080
 88J  C31   H56  single    0.930  0.020  1.080
 88J  C33   H57  single    0.930  0.020  1.080
 88J  C24   H50  single    0.930  0.020  1.080
 88J  C26   H51  single    0.930  0.020  1.080
 88J  C28   H54  single    0.970  0.020  1.090
 88J  C28   H53  single    0.970  0.020  1.090
 88J  C28   H52  single    0.970  0.020  1.090
 88J  C1    H36  single    0.970  0.020  1.090
 88J  C1    H37  single    0.970  0.020  1.090
 88J  C1    H35  single    0.970  0.020  1.090
 88J  C3    H38  single    0.970  0.020  1.090
 88J  C3    H39  single    0.970  0.020  1.090
 88J  C3    H40  single    0.970  0.020  1.090
 88J  O22   H49  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
 88J  H46   C18  C19  120.14  3.000
 88J  H46   C18  C17  120.18  3.000
 88J  C19   C18  C17  119.68  3.000
 88J  H45   C17  C16  119.68  3.000
 88J  H45   C17  C18  120.15  3.000
 88J  C16   C17  C18  120.16  3.000
 88J  H47   C19  C20  119.67  3.000
 88J  H47   C19  C18  120.14  3.000
 88J  C20   C19  C18  120.19  3.000
 88J  H44   C16  C15  119.84  3.000
 88J  H44   C16  C17  119.71  3.000
 88J  C15   C16  C17  120.44  3.000
 88J  H48   C20  C15  119.79  3.000
 88J  H48   C20  C19  119.79  3.000
 88J  C15   C20  C19  120.42  3.000
 88J  H42   C8   C9   120.39  3.000
 88J  H42   C8   C7   118.58  3.000
 88J  C9    C8   C7   121.03  3.000
 88J  H41   C7   C6   118.43  3.000
 88J  H41   C7   C8   120.65  3.000
 88J  C6    C7   C8   120.92  3.000
 88J  H55   C30  C29  122.51  3.000
 88J  H55   C30  C31  118.32  3.000
 88J  C29   C30  C31  119.17  3.000
 88J  H58   C34  C29  121.49  3.000
 88J  H58   C34  C33  119.26  3.000
 88J  C29   C34  C33  119.25  3.000
 88J  H43   C10  C9   119.86  3.000
 88J  H43   C10  C11  119.09  3.000
 88J  C9    C10  C11  121.05  3.000
 88J  H56   C31  N32  116.61  3.000
 88J  H56   C31  C30  119.66  3.000
 88J  N32   C31  C30  123.73  3.000
 88J  H57   C33  N32  116.74  3.000
 88J  H57   C33  C34  119.62  3.000
 88J  N32   C33  C34  123.64  3.000
 88J  H50   C24  N25  121.80  3.000
 88J  H50   C24  C23  127.57  3.000
 88J  N25   C24  C23  110.64  3.000
 88J  H51   C26  N27  121.54  3.000
 88J  H51   C26  N25  125.99  3.000
 88J  N27   C26  N25  112.47  3.000
 88J  C12   C11  C6   115.41  3.000
 88J  C6    C11  C10  119.86  3.000
 88J  C12   C11  C10  124.70  3.000
 88J  C14   C15  C20  119.19  3.000
 88J  C14   C15  C16  121.70  3.000
 88J  C20   C15  C16  119.11  3.000
 88J  C4    C14  C12  116.61  3.000
 88J  C4    C14  C15  121.31  3.000
 88J  C12   C14  C15  121.72  3.000
 88J  C21   C9   C10  119.40  3.000
 88J  C21   C9   C8   121.63  3.000
 88J  C10   C9   C8   118.92  3.000
 88J  C21   C29  C34  122.17  3.000
 88J  C34   C29  C30  117.14  3.000
 88J  C21   C29  C30  120.67  3.000
 88J  N5    C6   C11  123.03  3.000
 88J  N5    C6   C7   118.75  3.000
 88J  C11   C6   C7   118.21  3.000
 88J  CL13  C12  C14  119.88  3.000
 88J  C14   C12  C11  122.26  3.000
 88J  CL13  C12  C11  117.73  3.000
 88J  N27   C23  C21  124.15  3.000
 88J  C21   C23  C24  130.69  3.000
 88J  N27   C23  C24  105.15  3.000
 88J  N2    C4   N5   117.32  3.000
 88J  N5    C4   C14  122.17  3.000
 88J  N2    C4   C14  120.38  3.000
 88J  H35   C1   H37  108.42  3.000
 88J  H35   C1   H36  108.34  3.000
 88J  H37   C1   H36  108.14  3.000
 88J  H35   C1   N2   110.92  3.000
 88J  H37   C1   N2   108.11  3.000
 88J  H36   C1   N2   112.79  3.000
 88J  H40   C3   H39  108.22  3.000
 88J  H40   C3   H38  107.35  3.000
 88J  H39   C3   H38  108.18  3.000
 88J  H40   C3   N2   109.91  3.000
 88J  H39   C3   N2   110.80  3.000
 88J  H38   C3   N2   112.23  3.000
 88J  O22   C21  C23  105.96  3.000
 88J  C23   C21  C29  111.32  3.000
 88J  O22   C21  C29  110.47  3.000
 88J  C29   C21  C9   109.65  3.000
 88J  C23   C21  C9   108.29  3.000
 88J  O22   C21  C9   111.09  3.000
 88J  C33   N32  C31  117.07  3.000
 88J  C26   N25  C24  105.06  3.000
 88J  C4    N5   C6   120.21  3.000
 88J  C28   N27  C23  128.75  3.000
 88J  C23   N27  C26  106.68  3.000
 88J  C28   N27  C26  124.57  3.000
 88J  C3    N2   C1   112.85  3.000
 88J  C3    N2   C4   121.98  3.000
 88J  C1    N2   C4   117.93  3.000
 88J  H49   O22  C21  109.78  3.000
 88J  H52   C28  H53  108.92  3.000
 88J  H52   C28  H54  108.32  3.000
 88J  H53   C28  H54  109.09  3.000
 88J  H52   C28  N27  108.29  3.000
 88J  H53   C28  N27  111.15  3.000
 88J  H54   C28  N27  111.00  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
 88J  CONST_01  C15   C16  C17  C18    0.00   0.0  0
 88J  CONST_02  C15   C20  C19  C18    0.00   0.0  0
 88J  CONST_03  C20   C19  C18  C17    0.00   0.0  0
 88J  CONST_04  C20   C15  C16  C17    0.00   0.0  0
 88J  CONST_05  C14   C15  C16  C17  180.00   0.0  0
 88J  CONST_06  C16   C17  C18  C19    0.00   0.0  0
 88J  CONST_07  C16   C15  C20  C19    0.00   0.0  0
 88J  CONST_08  C14   C15  C20  C19  180.00   0.0  0
 88J  CONST_13  C11   C10  C9   C8     0.00   0.0  0
 88J  CONST_14  C11   C6   C7   C8     0.00   0.0  0
 88J  CONST_15  N5    C6   C7   C8   180.00   0.0  0
 88J  CONST_16  C12   C11  C6   C7   180.00   0.0  0
 88J  CONST_17  C10   C11  C6   C7     0.00   0.0  0
 88J  CONST_18  C4    N5   C6   C7   180.00   0.0  0
 88J  CONST_19  C10   C9   C8   C7     0.00   0.0  0
 88J  CONST_20  C33   C34  C29  C30    0.00   0.0  0
 88J  CONST_21  C33   N32  C31  C30    0.00   0.0  0
 88J  CONST_22  C31   C30  C29  C34    0.00   0.0  0
 88J  CONST_23  C31   N32  C33  C34    0.00   0.0  0
 88J  CONST_24  C14   C12  C11  C10  180.00   0.0  0
 88J  CONST_25  N5    C6   C11  C10  180.00   0.0  0
 88J  CONST_26  C26   N27  C23  C24    0.00   0.0  0
 88J  CONST_27  N27   C26  N25  C24    0.00   0.0  0
 88J  CONST_28  C23   C24  N25  C26    0.00   0.0  0
 88J  CONST_29  C15   C14  C12  C11  180.00   0.0  0
 88J  CONST_30  C4    C14  C12  C11    0.00   0.0  0
 88J  CONST_31  C4    N5   C6   C11    0.00   0.0  0
 88J  CONST_32  N5    C4   C14  C15  180.00   0.0  0
 88J  CONST_33  C6    C11  C12  C14    0.00   0.0  0
 88J  CONST_34  C6    N5   C4   C14    0.00   0.0  0
 88J  CONST_35  C12   C11  C10  C9   180.00   0.0  0
 88J  CONST_36  C6    C11  C10  C9     0.00   0.0  0
 88J  CONST_37  C6    C7   C8   C9     0.00   0.0  0
 88J  CONST_38  N32   C31  C30  C29    0.00   0.0  0
 88J  CONST_39  N32   C33  C34  C29    0.00   0.0  0
 88J  CONST_40  N5    C4   C14  C12    0.00   0.0  0
 88J  CONST_41  N5    C6   C11  C12    0.00   0.0  0
 88J  CONST_42  N25   C26  N27  C23    0.00   0.0  0
 88J  CONST_43  N27   C23  C24  N25    0.00   0.0  0
 88J  CONST_44  C21   C9   C8   C7   180.00   0.0  0
 88J  CONST_45  CL13  C12  C11  C10    0.00   0.0  0
 88J  CONST_46  C21   C29  C30  C31  180.00   0.0  0
 88J  CONST_47  C21   C29  C34  C33  180.00   0.0  0
 88J  CONST_48  C28   N27  C23  C24  180.00   0.0  0
 88J  CONST_49  C21   C23  N27  C26  180.00   0.0  0
 88J  CONST_50  C21   C9   C10  C11  180.00   0.0  0
 88J  CONST_51  CL13  C12  C14  C15    0.00   0.0  0
 88J  CONST_52  N2    C4   C14  C15    0.00   0.0  0
 88J  CONST_53  CL13  C12  C11  C6   180.00   0.0  0
 88J  CONST_54  N2    C4   N5   C6   180.00   0.0  0
 88J  CONST_55  N2    C4   C14  C12  180.00   0.0  0
 88J  CONST_56  CL13  C12  C14  C4   180.00   0.0  0
 88J  CONST_57  N25   C26  N27  C28  180.00   0.0  0
 88J  CONST_58  N25   C24  C23  C21  180.00   0.0  0
 88J  CONST_59  H44   C16  C17  C18  180.00   0.0  0
 88J  CONST_60  H48   C20  C19  C18  180.00   0.0  0
 88J  CONST_61  H47   C19  C18  C17  180.00   0.0  0
 88J  CONST_62  H45   C17  C18  C19  180.00   0.0  0
 88J  CONST_63  H46   C18  C17  C16  180.00   0.0  0
 88J  CONST_64  H43   C10  C9   C8   180.00   0.0  0
 88J  CONST_65  H58   C34  C29  C30  180.00   0.0  0
 88J  CONST_66  H55   C30  C29  C34  180.00   0.0  0
 88J  CONST_67  H42   C8   C9   C10  180.00   0.0  0
 88J  CONST_68  H57   C33  N32  C31  180.00   0.0  0
 88J  CONST_69  H56   C31  N32  C33  180.00   0.0  0
 88J  CONST_70  H51   C26  N25  C24  180.00   0.0  0
 88J  CONST_71  H50   C24  N25  C26  180.00   0.0  0
 88J  CONST_72  H41   C7   C6   C11  180.00   0.0  0
 88J  CONST_75  N5    C4   N2   C1     0.00   0.0  0
 88J  Var_01    H54   C28  N27  C26  120.84  30.0  2
 88J  Var_02    H36   C1   N2   C4    77.40  30.0  3
 88J  Var_03    H38   C3   N2   C4    15.92  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
 88J  chir_01  C21  C23  C9  C29  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
 88J  plan-1  C24   0.020
 88J  plan-1  C26   0.020
 88J  plan-1  C23   0.020
 88J  plan-1  C21   0.020
 88J  plan-1  N25   0.020
 88J  plan-1  N27   0.020
 88J  plan-1  H50   0.020
 88J  plan-1  H51   0.020
 88J  plan-1  C28   0.020
 88J  plan-2  C18   0.020
 88J  plan-2  C17   0.020
 88J  plan-2  C19   0.020
 88J  plan-2  C16   0.020
 88J  plan-2  C20   0.020
 88J  plan-2  C15   0.020
 88J  plan-2  C14   0.020
 88J  plan-2  H46   0.020
 88J  plan-2  H45   0.020
 88J  plan-2  H47   0.020
 88J  plan-2  H44   0.020
 88J  plan-2  H48   0.020
 88J  plan-3  C30   0.020
 88J  plan-3  C34   0.020
 88J  plan-3  C31   0.020
 88J  plan-3  C33   0.020
 88J  plan-3  C29   0.020
 88J  plan-3  C21   0.020
 88J  plan-3  N32   0.020
 88J  plan-3  H55   0.020
 88J  plan-3  H58   0.020
 88J  plan-3  H56   0.020
 88J  plan-3  H57   0.020
 88J  plan-4  C8    0.020
 88J  plan-4  C7    0.020
 88J  plan-4  C10   0.020
 88J  plan-4  C11   0.020
 88J  plan-4  C15   0.020
 88J  plan-4  C14   0.020
 88J  plan-4  C9    0.020
 88J  plan-4  C6    0.020
 88J  plan-4  C12   0.020
 88J  plan-4  C4    0.020
 88J  plan-4  C21   0.020
 88J  plan-4  N5    0.020
 88J  plan-4  N2    0.020
 88J  plan-4  CL13  0.020
 88J  plan-4  H42   0.020
 88J  plan-4  H41   0.020
 88J  plan-4  H43   0.020
 88J  plan-5  C4    0.020
 88J  plan-5  C1    0.020
 88J  plan-5  C3    0.020
 88J  plan-5  N2    0.020

