# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Thu Jul 22 05:25:08 2021
#   Inital geometry file: a 146 line input string
#   Ligand name: 4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1ccccc1c2ccccc2CNc3cnc(cn3)c4ccc(C[C@H](N)C(O)=O)cc4
#
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
 ML4  ML4  4-(5-{[(2'-methylbiphenyl-2-yl)methyl]amino}pyrazin-2-yl)-L-phenylalanine  ligand  59  33  .  2022-09-15  2022-11-17
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_ML4
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
 ML4  O3    O  OH1   0  -0.561  15.9693   5.7822  18.8241
 ML4  C2    C  C     0   0.541  15.0569   5.3999  17.9460
 ML4  O1    O  O     0  -0.446  14.9369   5.9009  16.8540
 ML4  C4    C  CH1   0  -0.179  14.1525   4.2852  18.4350
 ML4  N5    N  NH2   0  -0.774  14.6367   3.6740  19.6526
 ML4  C6    C  CH2   0  -0.500  12.7519   4.8877  18.6655
 ML4  C7    C  CR6   0   0.096  11.7511   3.8380  19.0561
 ML4  C12   C  CR16  0  -0.259  11.2332   2.9619  18.1031
 ML4  C11   C  CR16  0  -0.260  10.3341   1.9709  18.4549
 ML4  C10   C  CR6   0   0.070   9.9189   1.8151  19.7802
 ML4  C9    C  CR16  0  -0.293  10.4269   2.6999  20.7319
 ML4  C8    C  CR16  0  -0.269  11.3311   3.6893  20.3743
 ML4  C13   C  CR6   0   0.166   8.9746   0.7439  20.1395
 ML4  N18   N  N     0  -0.369   8.2263   0.2091  19.1608
 ML4  C17   C  CR16  0  -0.133   7.3972  -0.7559  19.4514
 ML4  C16   C  CR6   0   0.503   7.2699  -1.2517  20.7720
 ML4  N15   N  N     0  -0.432   8.0056  -0.7309  21.7473
 ML4  C14   C  CR16  0  -0.087   8.8468   0.2448  21.4275
 ML4  N19   N  NH1   0  -0.664   6.4276  -2.2626  21.0561
 ML4  C20   C  CH2   0  -0.322   6.2083  -2.7470  22.4028
 ML4  C21   C  CR6   0   0.030   5.3292  -3.9670  22.3724
 ML4  C26   C  CR6   0   0.033   3.9355  -3.8572  22.3595
 ML4  C25   C  CR16  0  -0.255   3.1609  -5.0144  22.3147
 ML4  C24   C  CR16  0  -0.220   3.7530  -6.2680  22.2746
 ML4  C23   C  CR16  0  -0.223   5.1367  -6.3773  22.2790
 ML4  C22   C  CR16  0  -0.259   5.9138  -5.2300  22.3256
 ML4  C27   C  CR6   0   0.019   3.2657  -2.5301  22.3878
 ML4  C32   C  CR16  0  -0.255   2.9548  -1.8947  21.1896
 ML4  C31   C  CR16  0  -0.226   2.3157  -0.6627  21.1786
 ML4  C30   C  CR16  0  -0.220   1.9834  -0.0570  22.3807
 ML4  C29   C  CR16  0  -0.268   2.2924  -0.6865  23.5792
 ML4  C28   C  CR6   0   0.079   2.9327  -1.9229  23.6056
 ML4  C33   C  CH3   0  -0.723   3.2647  -2.5818  24.9129
 ML4  HO3   H  HOH1  0   0.457  16.5008   6.4988  18.4448
 ML4  H4    H  HCH1  0   0.246  14.0726   3.5865  17.5885
 ML4  HN5   H  HNH2  0   0.350  13.9892   2.9478  19.9334
 ML4  HN5A  H  HNH2  0   0.338  15.5156   3.2013  19.4830
 ML4  H6    H  HCH2  0   0.249  12.8187   5.6522  19.4431
 ML4  H6A   H  HCH2  0   0.259  12.4297   5.3801  17.7466
 ML4  H12   H  HCR6  0   0.226  11.5387   3.0540  17.0669
 ML4  H11   H  HCR6  0   0.238   9.9521   1.3028  17.6945
 ML4  H9    H  HCR6  0   0.222  10.1107   2.6370  21.7654
 ML4  H8    H  HCR6  0   0.232  11.7055   4.3639  21.1349
 ML4  H17   H  HCR6  0   0.236   6.8010  -1.1743  18.6461
 ML4  H14   H  HCR6  0   0.235   9.4539   0.6290  22.2392
 ML4  HN19  H  HNH1  0   0.371   5.8232  -2.5962  20.3246
 ML4  H20   H  HCH2  0   0.243   7.1688  -2.9996  22.8567
 ML4  H20A  H  HCH2  0   0.244   5.7644  -1.9626  23.0242
 ML4  H25   H  HCR6  0   0.230   2.0813  -4.9282  22.3122
 ML4  H24   H  HCR6  0   0.231   3.1340  -7.1551  22.2405
 ML4  H23   H  HCR6  0   0.230   5.6087  -7.3507  22.2470
 ML4  H22   H  HCR6  0   0.225   6.9941  -5.3131  22.3304
 ML4  H32   H  HCR6  0   0.211   3.2068  -2.3757  20.2519
 ML4  H31   H  HCR6  0   0.226   2.0808  -0.1833  20.2373
 ML4  H30   H  HCR6  0   0.227   1.4832   0.9031  22.3889
 ML4  H29   H  HCR6  0   0.220   2.0318  -0.2081  24.5160
 ML4  H33   H  HCH3  0   0.244   2.8538  -3.5905  24.9740
 ML4  H33A  H  HCH3  0   0.236   4.3439  -2.6733  25.0528
 ML4  H33B  H  HCH3  0   0.235   2.8724  -2.0092  25.7520

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
 ML4  C2   O3    single    1.323  0.020  1.323
 ML4  O3   HO3   single    0.850  0.020  0.980
 ML4  O1   C2    double    1.207  0.020  1.207
 ML4  C2   C4    single    1.516  0.020  1.516
 ML4  C6   C4    single    1.542  0.020  1.542
 ML4  C4   N5    single    1.446  0.020  1.446
 ML4  C4   H4    single    0.970  0.020  1.090
 ML4  N5   HN5   single    0.890  0.020  1.040
 ML4  N5   HN5A  single    0.890  0.020  1.040
 ML4  C6   C7    single    1.502  0.020  1.502
 ML4  C6   H6    single    0.970  0.020  1.090
 ML4  C6   H6A   single    0.970  0.020  1.090
 ML4  C12  C7    aromatic  1.394  0.020  1.394
 ML4  C7   C8    aromatic  1.391  0.020  1.391
 ML4  C12  C11   aromatic  1.384  0.020  1.384
 ML4  C12  H12   single    0.930  0.020  1.080
 ML4  C11  C10   aromatic  1.398  0.020  1.398
 ML4  C11  H11   single    0.930  0.020  1.080
 ML4  C10  C13   single    1.472  0.020  1.472
 ML4  C10  C9    aromatic  1.395  0.020  1.395
 ML4  C8   C9    aromatic  1.387  0.020  1.387
 ML4  C9   H9    single    0.930  0.020  1.080
 ML4  C8   H8    single    0.930  0.020  1.080
 ML4  N18  C13   aromatic  1.343  0.020  1.343
 ML4  C13  C14   aromatic  1.387  0.020  1.387
 ML4  N18  C17   aromatic  1.305  0.020  1.305
 ML4  C17  C16   aromatic  1.416  0.020  1.416
 ML4  C17  H17   single    0.930  0.020  1.080
 ML4  C16  N19   single    1.346  0.020  1.346
 ML4  C16  N15   aromatic  1.328  0.020  1.328
 ML4  C14  N15   aromatic  1.327  0.020  1.327
 ML4  C14  H14   single    0.930  0.020  1.080
 ML4  N19  C20   single    1.448  0.020  1.448
 ML4  N19  HN19  single    0.860  0.020  1.020
 ML4  C20  C21   single    1.504  0.020  1.504
 ML4  C20  H20   single    0.970  0.020  1.090
 ML4  C20  H20A  single    0.970  0.020  1.090
 ML4  C22  C21   aromatic  1.393  0.020  1.393
 ML4  C21  C26   aromatic  1.398  0.020  1.398
 ML4  C26  C25   aromatic  1.393  0.020  1.393
 ML4  C26  C27   single    1.487  0.020  1.487
 ML4  C24  C25   aromatic  1.387  0.020  1.387
 ML4  C25  H25   single    0.930  0.020  1.080
 ML4  C23  C24   aromatic  1.388  0.020  1.388
 ML4  C24  H24   single    0.930  0.020  1.080
 ML4  C22  C23   aromatic  1.386  0.020  1.386
 ML4  C23  H23   single    0.930  0.020  1.080
 ML4  C22  H22   single    0.930  0.020  1.080
 ML4  C32  C27   aromatic  1.391  0.020  1.391
 ML4  C27  C28   aromatic  1.401  0.020  1.401
 ML4  C32  C31   aromatic  1.388  0.020  1.388
 ML4  C32  H32   single    0.930  0.020  1.080
 ML4  C31  C30   aromatic  1.387  0.020  1.387
 ML4  C31  H31   single    0.930  0.020  1.080
 ML4  C30  C29   aromatic  1.389  0.020  1.389
 ML4  C30  H30   single    0.930  0.020  1.080
 ML4  C28  C29   aromatic  1.393  0.020  1.393
 ML4  C29  H29   single    0.930  0.020  1.080
 ML4  C28  C33   single    1.501  0.020  1.501
 ML4  C33  H33   single    0.970  0.020  1.090
 ML4  C33  H33A  single    0.970  0.020  1.090
 ML4  C33  H33B  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
 ML4  HO3   O3   C2    109.39  3.000
 ML4  C4    C2   O1    122.51  3.000
 ML4  C4    C2   O3    114.19  3.000
 ML4  O1    C2   O3    123.30  3.000
 ML4  H4    C4   C6    107.28  3.000
 ML4  H4    C4   N5    113.80  3.000
 ML4  C6    C4   N5    110.09  3.000
 ML4  H4    C4   C2    105.19  3.000
 ML4  N5    C4   C2    112.50  3.000
 ML4  C6    C4   C2    107.62  3.000
 ML4  HN5A  N5   HN5   105.47  3.000
 ML4  HN5A  N5   C4    110.31  3.000
 ML4  HN5   N5   C4    108.82  3.000
 ML4  H6A   C6   H6    107.56  3.000
 ML4  H6A   C6   C7    109.73  3.000
 ML4  H6    C6   C7    110.16  3.000
 ML4  H6A   C6   C4    108.58  3.000
 ML4  H6    C6   C4    108.92  3.000
 ML4  C7    C6   C4    111.78  3.000
 ML4  C8    C7   C12   117.93  3.000
 ML4  C8    C7   C6    121.48  3.000
 ML4  C12   C7   C6    120.58  3.000
 ML4  H12   C12  C11   119.14  3.000
 ML4  H12   C12  C7    119.69  3.000
 ML4  C11   C12  C7    121.17  3.000
 ML4  H11   C11  C10   119.52  3.000
 ML4  H11   C11  C12   119.54  3.000
 ML4  C10   C11  C12   120.93  3.000
 ML4  C13   C10  C9    121.89  3.000
 ML4  C9    C10  C11   117.91  3.000
 ML4  C13   C10  C11   120.20  3.000
 ML4  H9    C9   C8    118.55  3.000
 ML4  H9    C9   C10   120.53  3.000
 ML4  C8    C9   C10   120.91  3.000
 ML4  H8    C8   C9    119.23  3.000
 ML4  H8    C8   C7    119.62  3.000
 ML4  C9    C8   C7    121.14  3.000
 ML4  C14   C13  N18   118.82  3.000
 ML4  C14   C13  C10   123.18  3.000
 ML4  N18   C13  C10   117.98  3.000
 ML4  C17   N18  C13   119.09  3.000
 ML4  H17   C17  C16   120.48  3.000
 ML4  H17   C17  N18   117.95  3.000
 ML4  C16   C17  N18   121.57  3.000
 ML4  N19   C16  N15   119.08  3.000
 ML4  N15   C16  C17   119.85  3.000
 ML4  N19   C16  C17   121.06  3.000
 ML4  C14   N15  C16   117.54  3.000
 ML4  H14   C14  N15   115.78  3.000
 ML4  H14   C14  C13   121.08  3.000
 ML4  N15   C14  C13   123.13  3.000
 ML4  HN19  N19  C20   118.33  3.000
 ML4  HN19  N19  C16   118.13  3.000
 ML4  C20   N19  C16   122.84  3.000
 ML4  H20A  C20  H20   106.65  3.000
 ML4  H20A  C20  C21   110.83  3.000
 ML4  H20   C20  C21   109.56  3.000
 ML4  H20A  C20  N19   110.47  3.000
 ML4  H20   C20  N19   109.32  3.000
 ML4  C21   C20  N19   109.94  3.000
 ML4  C22   C21  C26   119.30  3.000
 ML4  C26   C21  C20   121.28  3.000
 ML4  C22   C21  C20   119.40  3.000
 ML4  C27   C26  C25   119.44  3.000
 ML4  C27   C26  C21   121.27  3.000
 ML4  C25   C26  C21   119.29  3.000
 ML4  H25   C25  C24   119.83  3.000
 ML4  H25   C25  C26   119.22  3.000
 ML4  C24   C25  C26   120.95  3.000
 ML4  H24   C24  C23   120.38  3.000
 ML4  H24   C24  C25   119.84  3.000
 ML4  C23   C24  C25   119.78  3.000
 ML4  H23   C23  C22   120.05  3.000
 ML4  H23   C23  C24   120.36  3.000
 ML4  C22   C23  C24   119.58  3.000
 ML4  H22   C22  C23   119.70  3.000
 ML4  H22   C22  C21   119.21  3.000
 ML4  C23   C22  C21   121.09  3.000
 ML4  C28   C27  C32   119.84  3.000
 ML4  C28   C27  C26   120.70  3.000
 ML4  C32   C27  C26   119.46  3.000
 ML4  H32   C32  C31   119.62  3.000
 ML4  H32   C32  C27   119.38  3.000
 ML4  C31   C32  C27   121.00  3.000
 ML4  H31   C31  C30   120.57  3.000
 ML4  H31   C31  C32   120.01  3.000
 ML4  C30   C31  C32   119.43  3.000
 ML4  H30   C30  C29   119.89  3.000
 ML4  H30   C30  C31   120.31  3.000
 ML4  C29   C30  C31   119.79  3.000
 ML4  H29   C29  C28   119.09  3.000
 ML4  H29   C29  C30   119.50  3.000
 ML4  C28   C29  C30   121.41  3.000
 ML4  C33   C28  C29   120.52  3.000
 ML4  C33   C28  C27   120.95  3.000
 ML4  C29   C28  C27   118.53  3.000
 ML4  H33B  C33  H33A  107.54  3.000
 ML4  H33B  C33  H33   107.90  3.000
 ML4  H33A  C33  H33   106.71  3.000
 ML4  H33B  C33  C28   111.14  3.000
 ML4  H33A  C33  C28   111.52  3.000
 ML4  H33   C33  C28   111.80  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
 ML4  CONST_01  C10   C11  C12  C7      0.00   0.0  0
 ML4  CONST_02  C10   C9   C8   C7      0.00   0.0  0
 ML4  CONST_03  C9    C8   C7   C12     0.00   0.0  0
 ML4  CONST_04  C13   C10  C11  C12   180.00   0.0  0
 ML4  CONST_05  C9    C10  C11  C12     0.00   0.0  0
 ML4  CONST_06  C8    C7   C12  C11     0.00   0.0  0
 ML4  CONST_09  C8    C9   C10  C11     0.00   0.0  0
 ML4  CONST_10  C17   N18  C13  C10   180.00   0.0  0
 ML4  CONST_11  N15   C14  C13  C10   180.00   0.0  0
 ML4  CONST_14  C13   C10  C9   C8    180.00   0.0  0
 ML4  CONST_15  C16   C17  N18  C13     0.00   0.0  0
 ML4  CONST_16  C16   N15  C14  C13     0.00   0.0  0
 ML4  CONST_17  N15   C14  C13  N18     0.00   0.0  0
 ML4  CONST_18  N15   C16  C17  N18     0.00   0.0  0
 ML4  CONST_19  C14   C13  N18  C17     0.00   0.0  0
 ML4  CONST_20  C14   N15  C16  C17     0.00   0.0  0
 ML4  CONST_21  C24   C23  C22  C21     0.00   0.0  0
 ML4  CONST_22  C24   C25  C26  C21     0.00   0.0  0
 ML4  CONST_25  C23   C22  C21  C26     0.00   0.0  0
 ML4  CONST_26  C23   C24  C25  C26     0.00   0.0  0
 ML4  CONST_27  C31   C32  C27  C26   180.00   0.0  0
 ML4  CONST_28  C29   C28  C27  C26   180.00   0.0  0
 ML4  CONST_29  C22   C21  C26  C25     0.00   0.0  0
 ML4  CONST_32  C22   C23  C24  C25     0.00   0.0  0
 ML4  CONST_33  C27   C26  C25  C24   180.00   0.0  0
 ML4  CONST_34  C27   C26  C21  C22   180.00   0.0  0
 ML4  CONST_35  C30   C31  C32  C27     0.00   0.0  0
 ML4  CONST_36  C30   C29  C28  C27     0.00   0.0  0
 ML4  CONST_37  C29   C28  C27  C32     0.00   0.0  0
 ML4  CONST_38  C29   C30  C31  C32     0.00   0.0  0
 ML4  CONST_39  C28   C27  C32  C31     0.00   0.0  0
 ML4  CONST_40  C28   C29  C30  C31     0.00   0.0  0
 ML4  CONST_41  C11   C12  C7   C6    180.00   0.0  0
 ML4  CONST_42  C9    C8   C7   C6    180.00   0.0  0
 ML4  CONST_43  N19   C16  C17  N18   180.00   0.0  0
 ML4  CONST_44  N19   C16  N15  C14   180.00   0.0  0
 ML4  CONST_45  C23   C22  C21  C20   180.00   0.0  0
 ML4  CONST_46  C25   C26  C21  C20   180.00   0.0  0
 ML4  CONST_47  C27   C26  C21  C20     0.00   0.0  0
 ML4  CONST_48  C33   C28  C27  C26     0.00   0.0  0
 ML4  CONST_49  C33   C28  C27  C32   180.00   0.0  0
 ML4  CONST_50  C33   C28  C29  C30   180.00   0.0  0
 ML4  CONST_51  H11   C11  C12  C7    180.00   0.0  0
 ML4  CONST_52  H9    C9   C8   C7    180.00   0.0  0
 ML4  CONST_53  H8    C8   C7   C12   180.00   0.0  0
 ML4  CONST_54  H12   C12  C11  C10   180.00   0.0  0
 ML4  CONST_55  H14   C14  C13  C10     0.00   0.0  0
 ML4  CONST_56  H17   C17  N18  C13   180.00   0.0  0
 ML4  CONST_57  H23   C23  C22  C21   180.00   0.0  0
 ML4  CONST_58  H25   C25  C26  C21   180.00   0.0  0
 ML4  CONST_59  H22   C22  C21  C26   180.00   0.0  0
 ML4  CONST_60  H24   C24  C25  C26   180.00   0.0  0
 ML4  CONST_61  H32   C32  C27  C26     0.00   0.0  0
 ML4  CONST_62  H31   C31  C32  C27   180.00   0.0  0
 ML4  CONST_63  H29   C29  C28  C27   180.00   0.0  0
 ML4  CONST_64  H30   C30  C31  C32   180.00   0.0  0
 ML4  CONST_65  C20   N19  C16  C17   180.00   0.0  0
 ML4  CONST_66  C20   N19  C16  N15     0.00   0.0  0
 ML4  CONST_67  HN19  N19  C16  C17     0.00   0.0  0
 ML4  CONST_68  HO3   O3   C2   O1      0.00   0.0  0
 ML4  Var_01    C12   C7   C6   C4    -75.58  30.0  2
 ML4  Var_02    C21   C20  N19  C16  -174.11  30.0  3
 ML4  Var_03    C22   C21  C20  N19    92.88  30.0  2
 ML4  Var_04    H33   C33  C28  C27   -55.28  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
 ML4  chir_01  C4  C2  C6  N5  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
 ML4  plan-1  C6    0.020
 ML4  plan-1  C7    0.020
 ML4  plan-1  C12   0.020
 ML4  plan-1  C11   0.020
 ML4  plan-1  C10   0.020
 ML4  plan-1  C9    0.020
 ML4  plan-1  C8    0.020
 ML4  plan-1  C13   0.020
 ML4  plan-1  H12   0.020
 ML4  plan-1  H11   0.020
 ML4  plan-1  H9    0.020
 ML4  plan-1  H8    0.020
 ML4  plan-2  C10   0.020
 ML4  plan-2  C13   0.020
 ML4  plan-2  N18   0.020
 ML4  plan-2  C17   0.020
 ML4  plan-2  C16   0.020
 ML4  plan-2  N15   0.020
 ML4  plan-2  C14   0.020
 ML4  plan-2  N19   0.020
 ML4  plan-2  H17   0.020
 ML4  plan-2  H14   0.020
 ML4  plan-3  C20   0.020
 ML4  plan-3  C21   0.020
 ML4  plan-3  C26   0.020
 ML4  plan-3  C25   0.020
 ML4  plan-3  C24   0.020
 ML4  plan-3  C23   0.020
 ML4  plan-3  C22   0.020
 ML4  plan-3  C27   0.020
 ML4  plan-3  H25   0.020
 ML4  plan-3  H24   0.020
 ML4  plan-3  H23   0.020
 ML4  plan-3  H22   0.020
 ML4  plan-4  C26   0.020
 ML4  plan-4  C27   0.020
 ML4  plan-4  C32   0.020
 ML4  plan-4  C31   0.020
 ML4  plan-4  C30   0.020
 ML4  plan-4  C29   0.020
 ML4  plan-4  C28   0.020
 ML4  plan-4  C33   0.020
 ML4  plan-4  H32   0.020
 ML4  plan-4  H31   0.020
 ML4  plan-4  H30   0.020
 ML4  plan-4  H29   0.020
 ML4  plan-5  C16   0.020
 ML4  plan-5  N19   0.020
 ML4  plan-5  C20   0.020
 ML4  plan-5  HN19  0.020
 ML4  plan-6  O3    0.020
 ML4  plan-6  C2    0.020
 ML4  plan-6  O1    0.020
 ML4  plan-6  C4    0.020
 ML4  plan-6  HO3   0.020

