# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 22 23:13:17 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)[C@@H](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3cc(Cl)ccc3CN
#
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
 M41  M41  N-(benzylsulfonyl)-D-valyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide  peptide  68  35  .  2022-09-22  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND (side chain)
;

data_comp_M41
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
 M41  C7    C   CH2   0  -0.714  -5.5285   0.7096   0.3438
 M41  S8    S   S     0   1.371  -3.9987   0.4334  -0.5660
 M41  C4    C   CR6   0   0.121  -6.7045   0.3798  -0.5202
 M41  C5    C   CR16  0  -0.280  -7.2167  -0.9144  -0.5397
 M41  C6    C   CR16  0  -0.243  -8.2973  -1.2294  -1.3508
 M41  C1    C   CR16  0  -0.260  -8.8698  -0.2533  -2.1561
 M41  C2    C   CR16  0  -0.243  -8.3588   1.0383  -2.1452
 M41  C33   C   CR16  0  -0.278  -7.2784   1.3529  -1.3336
 M41  O12   O   OS    0  -0.660  -3.8812  -0.9981  -0.8039
 M41  O13   O   OS    0  -0.662  -3.9813   1.3567  -1.6891
 M41  N9    N   NC1   0  -0.751  -2.7735   0.8758   0.4162
 M41  C10   C   CH1   0  -0.202  -2.2662   0.0532   1.4999
 M41  C14   C   CH1   0  -0.235  -2.7428   0.5158   2.8936
 M41  C15   C   CH3   0  -0.670  -2.2211  -0.4134   3.9844
 M41  C16   C   CH3   0  -0.662  -2.4207   1.9691   3.2218
 M41  C11   C   C     0   0.591  -0.7447   0.0609   1.3844
 M41  O22   O   O     0  -0.494  -0.1480   1.1223   1.2494
 M41  N17   N   NT    0  -0.462  -0.0922  -1.1068   1.4645
 M41  C18   C   CH1   0  -0.225   1.3551  -1.1092   1.4068
 M41  C23   C   C     0   0.578   1.8390  -0.6895   0.0214
 M41  O32   O   O     0  -0.485   1.1858  -0.9084  -0.9856
 M41  C19   C   CH2   0  -0.474   1.7128  -2.5733   1.6908
 M41  C20   C   CH2   0  -0.474   0.5349  -3.3438   1.1076
 M41  C21   C   CH2   0  -0.282  -0.6627  -2.4544   1.4234
 M41  N24   N   NH1   0  -0.635   3.0636  -0.1417   0.0069
 M41  C25   C   CH2   0  -0.350   3.7496   0.2236  -1.2175
 M41  C26   C   CR6   0   0.043   5.2408   0.2299  -1.0090
 M41  C27   C   CR6   0   0.108   5.9687  -0.9630  -0.9009
 M41  C34   C   CH2   0  -0.392   5.3130  -2.3118  -1.0506
 M41  N35   N   NH2   0  -0.781   4.9431  -2.5496  -2.4395
 M41  C28   C   CR16  0  -0.306   7.3404  -0.8897  -0.6940
 M41  C29   C   CR16  0  -0.210   8.0038   0.3260  -0.5911
 M41  C30   C   CR6   0  -0.042   7.2672   1.4901  -0.6993
 M41  CL3   CL  CL    0  -0.133   8.0630   3.0262  -0.5769
 M41  C31   C   CR16  0  -0.247   5.8960   1.4501  -0.9044
 M41  H7    H   HCH2  0   0.321  -5.5196   1.7541   0.6577
 M41  H7A   H   HCH2  0   0.317  -5.4864   0.0752   1.2302
 M41  H5    H   HCR6  0   0.257  -6.7755  -1.6757   0.0916
 M41  H6    H   HCR6  0   0.260  -8.6921  -2.2369  -1.3540
 M41  H1    H   HCR6  0   0.260  -9.7153  -0.4964  -2.7864
 M41  H2    H   HCR6  0   0.260  -8.8022   1.8017  -2.7710
 M41  H33   H   HCR6  0   0.258  -6.8877   2.3627  -1.3239
 M41  HN9   H   HNC1  0   0.420  -2.5744   1.8674   0.4399
 M41  H10   H   HCH1  0   0.293  -2.6542  -0.9533   1.3464
 M41  H14   H   HCH1  0   0.246  -3.8333   0.4154   2.8724
 M41  H15   H   HCH3  0   0.228  -1.1345  -0.3593   4.0794
 M41  H15A  H   HCH3  0   0.245  -2.6449  -0.1344   4.9492
 M41  H15B  H   HCH3  0   0.236  -2.4921  -1.4531   3.7959
 M41  H16   H   HCH3  0   0.222  -2.7704   2.6608   2.4541
 M41  H16A  H   HCH3  0   0.237  -2.9225   2.2494   4.1485
 M41  H16B  H   HCH3  0   0.231  -1.3528   2.1300   3.3631
 M41  H18   H   HCH1  0   0.289   1.7733  -0.4455   2.1676
 M41  H19   H   HCH2  0   0.266   2.6743  -2.8590   1.2650
 M41  H19A  H   HCH2  0   0.263   1.7752  -2.7218   2.7702
 M41  H20   H   HCH2  0   0.249   0.6479  -3.4586   0.0296
 M41  H20A  H   HCH2  0   0.260   0.4234  -4.3377   1.5379
 M41  H21   H   HCH2  0   0.251  -1.0989  -2.7191   2.3891
 M41  H21A  H   HCH2  0   0.257  -1.4386  -2.5358   0.6625
 M41  HN24  H   HNH1  0   0.404   3.4960   0.1079   0.8823
 M41  H25   H   HCH2  0   0.270   3.4895  -0.4984  -1.9910
 M41  H25A  H   HCH2  0   0.260   3.4226   1.2086  -1.5622
 M41  H34   H   HCH2  0   0.226   5.9857  -3.0738  -0.6372
 M41  H34A  H   HCH2  0   0.241   4.4059  -2.3484  -0.4450
 M41  HN35  H   HNH2  0   0.346   5.7821  -2.6949  -2.9873
 M41  HN3A  H   HNH2  0   0.354   4.4178  -3.4127  -2.5002
 M41  H28   H   HCR6  0   0.262   7.9145  -1.8049  -0.6122
 M41  H29   H   HCR6  0   0.279   9.0732   0.3568  -0.4341
 M41  H31   H   HCR6  0   0.275   5.3322   2.3709  -0.9869

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
 M41  C1   C2    aromatic  1.389  0.020  1.389
 M41  C1   C6    aromatic  1.389  0.020  1.389
 M41  C2   C33   aromatic  1.387  0.020  1.387
 M41  CL3  C30   single    1.734  0.020  1.734
 M41  C4   C5    aromatic  1.392  0.020  1.392
 M41  C4   C7    single    1.496  0.020  1.496
 M41  C4   C33   aromatic  1.392  0.020  1.392
 M41  C5   C6    aromatic  1.387  0.020  1.387
 M41  C7   S8    single    1.801  0.020  1.801
 M41  S8   N9    single    1.631  0.020  1.631
 M41  S8   O12   double    1.456  0.020  1.456
 M41  S8   O13   double    1.454  0.020  1.454
 M41  N9   C10   single    1.452  0.020  1.452
 M41  C10  C11   single    1.526  0.020  1.526
 M41  C10  C14   single    1.544  0.020  1.544
 M41  C11  N17   single    1.340  0.020  1.340
 M41  C11  O22   double    1.225  0.020  1.225
 M41  C14  C15   single    1.525  0.020  1.525
 M41  C14  C16   single    1.524  0.020  1.524
 M41  N17  C18   single    1.448  0.020  1.448
 M41  N17  C21   single    1.464  0.020  1.464
 M41  C18  C19   single    1.534  0.020  1.534
 M41  C18  C23   single    1.526  0.020  1.526
 M41  C19  C20   single    1.524  0.020  1.524
 M41  C20  C21   single    1.525  0.020  1.525
 M41  C23  N24   single    1.342  0.020  1.342
 M41  C23  O32   double    1.220  0.020  1.220
 M41  N24  C25   single    1.450  0.020  1.450
 M41  C25  C26   single    1.506  0.020  1.506
 M41  C26  C27   aromatic  1.402  0.020  1.402
 M41  C26  C31   aromatic  1.389  0.020  1.389
 M41  C27  C28   aromatic  1.389  0.020  1.389
 M41  C27  C34   single    1.507  0.020  1.507
 M41  C28  C29   aromatic  1.389  0.020  1.389
 M41  C29  C30   aromatic  1.382  0.020  1.382
 M41  C30  C31   aromatic  1.387  0.020  1.387
 M41  C34  N35   single    1.457  0.020  1.457
 M41  C1   H1    single    0.930  0.020  1.080
 M41  C2   H2    single    0.930  0.020  1.080
 M41  C5   H5    single    0.930  0.020  1.080
 M41  C6   H6    single    0.930  0.020  1.080
 M41  C7   H7    single    0.970  0.020  1.090
 M41  C7   H7A   single    0.970  0.020  1.090
 M41  N9   HN9   single    0.890  0.020  1.040
 M41  C10  H10   single    0.970  0.020  1.090
 M41  C14  H14   single    0.970  0.020  1.090
 M41  C15  H15   single    0.970  0.020  1.090
 M41  C15  H15A  single    0.970  0.020  1.090
 M41  C15  H15B  single    0.970  0.020  1.090
 M41  C16  H16   single    0.970  0.020  1.090
 M41  C16  H16A  single    0.970  0.020  1.090
 M41  C16  H16B  single    0.970  0.020  1.090
 M41  C18  H18   single    0.970  0.020  1.090
 M41  C19  H19   single    0.970  0.020  1.090
 M41  C19  H19A  single    0.970  0.020  1.090
 M41  C20  H20   single    0.970  0.020  1.090
 M41  C20  H20A  single    0.970  0.020  1.090
 M41  C21  H21   single    0.970  0.020  1.090
 M41  C21  H21A  single    0.970  0.020  1.090
 M41  N24  HN24  single    0.860  0.020  1.020
 M41  C25  H25   single    0.970  0.020  1.090
 M41  C25  H25A  single    0.970  0.020  1.090
 M41  C28  H28   single    0.930  0.020  1.080
 M41  C29  H29   single    0.930  0.020  1.080
 M41  C31  H31   single    0.930  0.020  1.080
 M41  C33  H33   single    0.930  0.020  1.080
 M41  C34  H34   single    0.970  0.020  1.090
 M41  C34  H34A  single    0.970  0.020  1.090
 M41  N35  HN35  single    0.890  0.020  1.040
 M41  N35  HN3A  single    0.890  0.020  1.040

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
 M41  H7A   C7   H7    108.83  3.000
 M41  H7A   C7   C4    111.80  3.000
 M41  H7    C7   C4    112.57  3.000
 M41  H7A   C7   S8    106.77  3.000
 M41  H7    C7   S8    106.57  3.000
 M41  C4    C7   S8    110.00  3.000
 M41  N9    S8   O13   106.49  3.000
 M41  O13   S8   O12   119.81  3.000
 M41  N9    S8   O12   107.72  3.000
 M41  O13   S8   C7    107.64  3.000
 M41  O12   S8   C7    107.57  3.000
 M41  N9    S8   C7    106.99  3.000
 M41  C33   C4   C5    119.35  3.000
 M41  C33   C4   C7    120.49  3.000
 M41  C5    C4   C7    120.15  3.000
 M41  H5    C5   C6    119.91  3.000
 M41  H5    C5   C4    119.70  3.000
 M41  C6    C5   C4    120.38  3.000
 M41  H6    C6   C1    120.15  3.000
 M41  H6    C6   C5    119.82  3.000
 M41  C1    C6   C5    120.03  3.000
 M41  H1    C1   C2    120.06  3.000
 M41  H1    C1   C6    120.12  3.000
 M41  C2    C1   C6    119.82  3.000
 M41  H2    C2   C33   119.83  3.000
 M41  H2    C2   C1    120.05  3.000
 M41  C33   C2   C1    120.13  3.000
 M41  H33   C33  C2    119.85  3.000
 M41  H33   C33  C4    119.86  3.000
 M41  C2    C33  C4    120.28  3.000
 M41  HN9   N9   C10   117.97  3.000
 M41  HN9   N9   S8    115.32  3.000
 M41  C10   N9   S8    123.93  3.000
 M41  H10   C10  C11   110.44  3.000
 M41  H10   C10  C14   107.10  3.000
 M41  C11   C10  C14   112.00  3.000
 M41  H10   C10  N9    107.08  3.000
 M41  C14   C10  N9    113.34  3.000
 M41  C11   C10  N9    106.80  3.000
 M41  H14   C14  C16   107.57  3.000
 M41  H14   C14  C15   107.37  3.000
 M41  C16   C14  C15   110.77  3.000
 M41  H14   C14  C10   105.21  3.000
 M41  C16   C14  C10   114.51  3.000
 M41  C15   C14  C10   110.95  3.000
 M41  H15B  C15  H15A  107.47  3.000
 M41  H15B  C15  H15   108.02  3.000
 M41  H15A  C15  H15   107.28  3.000
 M41  H15B  C15  C14   111.85  3.000
 M41  H15A  C15  C14   110.13  3.000
 M41  H15   C15  C14   111.87  3.000
 M41  H16B  C16  H16A  107.64  3.000
 M41  H16B  C16  H16   108.17  3.000
 M41  H16A  C16  H16   106.72  3.000
 M41  H16B  C16  C14   112.08  3.000
 M41  H16A  C16  C14   109.32  3.000
 M41  H16   C16  C14   112.66  3.000
 M41  N17   C11  O22   121.63  3.000
 M41  O22   C11  C10   119.90  3.000
 M41  N17   C11  C10   118.46  3.000
 M41  C21   N17  C18   112.75  3.000
 M41  C21   N17  C11   127.64  3.000
 M41  C18   N17  C11   119.05  3.000
 M41  H18   C18  C19   111.20  3.000
 M41  H18   C18  C23   110.10  3.000
 M41  C19   C18  C23   110.89  3.000
 M41  H18   C18  N17   110.71  3.000
 M41  C23   C18  N17   110.64  3.000
 M41  C19   C18  N17   103.13  3.000
 M41  N24   C23  O32   123.57  3.000
 M41  O32   C23  C18   122.01  3.000
 M41  N24   C23  C18   114.30  3.000
 M41  H19A  C19  H19   107.47  3.000
 M41  H19A  C19  C20   110.74  3.000
 M41  H19   C19  C20   113.58  3.000
 M41  H19A  C19  C18   109.05  3.000
 M41  H19   C19  C18   112.56  3.000
 M41  C20   C19  C18   103.39  3.000
 M41  H20A  C20  H20   107.78  3.000
 M41  H20A  C20  C21   111.73  3.000
 M41  H20   C20  C21   110.35  3.000
 M41  H20A  C20  C19   112.92  3.000
 M41  H20   C20  C19   110.59  3.000
 M41  C21   C20  C19   103.47  3.000
 M41  H21A  C21  H21   108.35  3.000
 M41  H21A  C21  C20   111.78  3.000
 M41  H21   C21  C20   110.82  3.000
 M41  H21A  C21  N17   111.45  3.000
 M41  H21   C21  N17   110.73  3.000
 M41  C20   C21  N17   103.69  3.000
 M41  HN24  N24  C25   117.91  3.000
 M41  HN24  N24  C23   118.90  3.000
 M41  C25   N24  C23   122.94  3.000
 M41  H25A  C25  H25   107.56  3.000
 M41  H25A  C25  C26   109.63  3.000
 M41  H25   C25  C26   109.72  3.000
 M41  H25A  C25  N24   110.58  3.000
 M41  H25   C25  N24   108.64  3.000
 M41  C26   C25  N24   110.65  3.000
 M41  C31   C26  C27   119.80  3.000
 M41  C31   C26  C25   118.77  3.000
 M41  C27   C26  C25   121.43  3.000
 M41  C28   C27  C34   119.45  3.000
 M41  C34   C27  C26   121.87  3.000
 M41  C28   C27  C26   118.64  3.000
 M41  H34A  C34  H34   106.10  3.000
 M41  H34A  C34  N35   108.21  3.000
 M41  H34   C34  N35   113.67  3.000
 M41  H34A  C34  C27   109.67  3.000
 M41  H34   C34  C27   108.50  3.000
 M41  N35   C34  C27   110.56  3.000
 M41  HN3A  N35  HN35  105.97  3.000
 M41  HN3A  N35  C34   109.15  3.000
 M41  HN35  N35  C34   109.20  3.000
 M41  H28   C28  C29   118.74  3.000
 M41  H28   C28  C27   119.33  3.000
 M41  C29   C28  C27   121.93  3.000
 M41  H29   C29  C30   120.97  3.000
 M41  H29   C29  C28   120.54  3.000
 M41  C30   C29  C28   118.49  3.000
 M41  C31   C30  CL3   119.32  3.000
 M41  C31   C30  C29   120.95  3.000
 M41  CL3   C30  C29   119.74  3.000
 M41  H31   C31  C30   120.10  3.000
 M41  H31   C31  C26   119.72  3.000
 M41  C30   C31  C26   120.19  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
 M41  CONST_01  C1    C6   C5   C4      0.00   0.0  0
 M41  CONST_02  C1    C2   C33  C4      0.00   0.0  0
 M41  CONST_03  C2    C33  C4   C5      0.00   0.0  0
 M41  CONST_04  C2    C1   C6   C5      0.00   0.0  0
 M41  CONST_05  C33   C2   C1   C6      0.00   0.0  0
 M41  CONST_06  C33   C4   C5   C6      0.00   0.0  0
 M41  CONST_07  C29   C28  C27  C26     0.00   0.0  0
 M41  CONST_08  C29   C30  C31  C26     0.00   0.0  0
 M41  CONST_09  C30   C31  C26  C27     0.00   0.0  0
 M41  CONST_10  C30   C29  C28  C27     0.00   0.0  0
 M41  CONST_11  C31   C26  C27  C28     0.00   0.0  0
 M41  CONST_12  C31   C30  C29  C28     0.00   0.0  0
 M41  CONST_13  C6    C5   C4   C7    180.00   0.0  0
 M41  CONST_14  C2    C33  C4   C7    180.00   0.0  0
 M41  CONST_15  C28   C27  C26  C25   180.00   0.0  0
 M41  CONST_16  C30   C31  C26  C25   180.00   0.0  0
 M41  CONST_17  CL3   C30  C31  C26   180.00   0.0  0
 M41  CONST_18  C31   C26  C27  C34   180.00   0.0  0
 M41  CONST_19  C29   C28  C27  C34   180.00   0.0  0
 M41  CONST_20  CL3   C30  C29  C28   180.00   0.0  0
 M41  CONST_21  H6    C6   C5   C4    180.00   0.0  0
 M41  CONST_22  H2    C2   C33  C4    180.00   0.0  0
 M41  CONST_23  H33   C33  C4   C5    180.00   0.0  0
 M41  CONST_24  H1    C1   C6   C5    180.00   0.0  0
 M41  CONST_25  H5    C5   C6   C1    180.00   0.0  0
 M41  CONST_26  H28   C28  C27  C26   180.00   0.0  0
 M41  CONST_27  H31   C31  C26  C27   180.00   0.0  0
 M41  CONST_28  H29   C29  C28  C27   180.00   0.0  0
 M41  CONST_29  C18   N17  C11  C10   180.00   0.0  0
 M41  CONST_30  C21   N17  C11  C10     0.00   0.0  0
 M41  CONST_31  C18   N17  C11  O22     0.00   0.0  0
 M41  CONST_32  C21   N17  C11  O22   180.00   0.0  0
 M41  CONST_33  C25   N24  C23  C18   180.00   0.0  0
 M41  CONST_34  HN24  N24  C23  C18     0.00   0.0  0
 M41  CONST_35  C25   N24  C23  O32     0.00   0.0  0
 M41  Var_01    C19   C20  C21  N17    28.21  30.0  1
 M41  Var_02    C20   C21  N17  C18    -8.76  30.0  1
 M41  Var_03    C21   C20  C19  C18   -37.00  30.0  1
 M41  Var_04    C5    C4   C7   S8     89.37  30.0  2
 M41  Var_05    C27   C26  C25  N24    74.17  30.0  2
 M41  Var_06    N35   C34  C27  C26    71.52  30.0  2
 M41  Var_07    N9    S8   C7   C4    177.56  30.0  3
 M41  Var_08    C26   C25  N24  C23  -155.12  30.0  3
 M41  Var_09    HN35  N35  C34  C27    70.59  30.0  3
 M41  Var_10    C10   N9   S8   C7     78.63  30.0  3
 M41  Var_11    H15   C15  C14  C10    66.40  30.0  3
 M41  Var_12    H16   C16  C14  C10    52.92  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
 M41  chir_01  C10  N9   C11  C14  negativ
 M41  chir_02  C18  N17  C23  C19  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
 M41  plan-1  C7    0.020
 M41  plan-1  C4    0.020
 M41  plan-1  C5    0.020
 M41  plan-1  C6    0.020
 M41  plan-1  C1    0.020
 M41  plan-1  C2    0.020
 M41  plan-1  C33   0.020
 M41  plan-1  H5    0.020
 M41  plan-1  H6    0.020
 M41  plan-1  H1    0.020
 M41  plan-1  H2    0.020
 M41  plan-1  H33   0.020
 M41  plan-2  C25   0.020
 M41  plan-2  C26   0.020
 M41  plan-2  C27   0.020
 M41  plan-2  C34   0.020
 M41  plan-2  C28   0.020
 M41  plan-2  C29   0.020
 M41  plan-2  C30   0.020
 M41  plan-2  CL3   0.020
 M41  plan-2  C31   0.020
 M41  plan-2  H28   0.020
 M41  plan-2  H29   0.020
 M41  plan-2  H31   0.020
 M41  plan-3  C18   0.020
 M41  plan-3  C23   0.020
 M41  plan-3  O32   0.020
 M41  plan-3  N24   0.020
 M41  plan-3  C25   0.020
 M41  plan-3  HN24  0.020
 M41  plan-4  C10   0.020
 M41  plan-4  C11   0.020
 M41  plan-4  O22   0.020
 M41  plan-4  N17   0.020
 M41  plan-4  C18   0.020
 M41  plan-4  C21   0.020

