# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 22 20:27:56 2020
#   Inital geometry file: a 171 line input string
#   Ligand name: N-(benzylsulfonyl)-D-leucyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)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
 M34  M34  N-(benzylsulfonyl)-D-leucyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide  ligand  71  36  .  2021-08-14  2021-08-14  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_M34
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
 M34  C7    C   CH2   0  -0.703  -5.0342   0.7508   0.1205
 M34  S8    S   S     0   1.364  -3.3366   0.6331   0.6991
 M34  C4    C   CR6   0   0.116  -5.2956   2.1161  -0.4304
 M34  C5    C   CR16  0  -0.281  -5.0949   2.3776  -1.7830
 M34  C6    C   CR16  0  -0.242  -5.3251   3.6466  -2.2944
 M34  C1    C   CR16  0  -0.260  -5.7491   4.6684  -1.4546
 M34  C2    C   CR16  0  -0.242  -5.9435   4.4154  -0.1027
 M34  C34   C   CR16  0  -0.279  -5.7140   3.1459   0.4078
 M34  O7    O   OS    0  -0.663  -3.1923   1.4934   1.8645
 M34  O19   O   OS    0  -0.648  -2.4618   0.8232  -0.4496
 M34  N9    N   NC1   0  -0.724  -3.2498  -0.9389   1.2067
 M34  C10   C   CH1   0  -0.242  -2.5246  -1.8969   0.3957
 M34  C20   C   CH2   0  -0.422  -2.8688  -3.3154   0.8619
 M34  C21   C   CH1   0  -0.225  -4.3560  -3.6642   0.7980
 M34  C22   C   CH3   0  -0.673  -4.9291  -3.4905  -0.6047
 M34  C23   C   CH3   0  -0.653  -4.5651  -5.0915   1.2933
 M34  C11   C   C     0   0.591  -1.0162  -1.6705   0.4980
 M34  O24   O   O     0  -0.493  -0.5362  -1.1012   1.4682
 M34  N12   N   NT    0  -0.461  -0.2527  -2.1868  -0.4752
 M34  C13   C   CH1   0  -0.225   1.1866  -2.0491  -0.4030
 M34  C14   C   C     0   0.576   1.5959  -0.5946  -0.6158
 M34  O28   O   O     0  -0.477   0.9571   0.1517  -1.3366
 M34  C27   C   CH2   0  -0.472   1.6751  -2.9269  -1.5618
 M34  C26   C   CH2   0  -0.475   0.5587  -2.8113  -2.5928
 M34  C25   C   CH2   0  -0.279  -0.7093  -2.7459  -1.7458
 M34  N15   N   NH1   0  -0.636   2.7444  -0.2467  -0.0121
 M34  C16   C   CH2   0  -0.352   3.3678   1.0509  -0.1814
 M34  C17   C   CR6   0   0.047   4.8621   0.9468  -0.0278
 M34  C29   C   CR6   0   0.109   5.6616   0.3711  -1.0255
 M34  C35   C   CH2   0  -0.392   5.0817  -0.1138  -2.3293
 M34  N36   N   NH2   0  -0.780   4.6189   1.0075  -3.1346
 M34  C33   C   CR16  0  -0.308   7.0321   0.2878  -0.8150
 M34  C32   C   CR16  0  -0.211   7.6269   0.7539   0.3504
 M34  C31   C   CR6   0  -0.042   6.8209   1.3183   1.3203
 M34  CL28  CL  CL    0  -0.133   7.5285   1.9169   2.7864
 M34  C30   C   CR16  0  -0.248   5.4487   1.4145   1.1408
 M34  H7    H   HCH2  0   0.321  -5.6682   0.5121   0.9750
 M34  H7A   H   HCH2  0   0.318  -5.1616  -0.0284  -0.6327
 M34  H5    H   HCR6  0   0.257  -4.7709   1.5816  -2.4420
 M34  H6    H   HCR6  0   0.260  -5.1749   3.8369  -3.3491
 M34  H1    H   HCR6  0   0.260  -5.9329   5.6578  -1.8531
 M34  H2    H   HCR6  0   0.259  -6.2750   5.2084   0.5551
 M34  H34   H   HCR6  0   0.258  -5.8728   2.9523   1.4614
 M34  HN9   H   HNC1  0   0.411  -3.0563  -0.9974   2.2010
 M34  H10   H   HCH1  0   0.277  -2.8511  -1.7789  -0.6391
 M34  H20   H   HCH2  0   0.246  -2.3089  -4.0263   0.2467
 M34  H20A  H   HCH2  0   0.248  -2.5059  -3.4482   1.8866
 M34  H21   H   HCH1  0   0.229  -4.8933  -2.9894   1.4709
 M34  H22   H   HCH3  0   0.219  -4.3668  -4.0734  -1.3388
 M34  H22A  H   HCH3  0   0.236  -5.9676  -3.8222  -0.6422
 M34  H22B  H   HCH3  0   0.229  -4.9180  -2.4493  -0.9321
 M34  H23   H   HCH3  0   0.227  -4.1824  -5.2234   2.3069
 M34  H23A  H   HCH3  0   0.229  -5.6249  -5.3505   1.3039
 M34  H23B  H   HCH3  0   0.215  -4.0547  -5.8116   0.6494
 M34  H13   H   HCH1  0   0.286   1.5603  -2.4160   0.5559
 M34  H27   H   HCH2  0   0.264   2.6504  -2.6209  -1.9413
 M34  H27A  H   HCH2  0   0.262   1.7720  -3.9555  -1.2103
 M34  H26   H   HCH2  0   0.259   0.5377  -3.6513  -3.2850
 M34  H26A  H   HCH2  0   0.249   0.6668  -1.8981  -3.1775
 M34  H25   H   HCH2  0   0.246  -1.1349  -3.7421  -1.6010
 M34  H25A  H   HCH2  0   0.258  -1.4701  -2.1164  -2.2080
 M34  HN15  H   HNH1  0   0.402   3.1550  -0.8793   0.6564
 M34  H16   H   HCH2  0   0.271   3.1288   1.4224  -1.1773
 M34  H16A  H   HCH2  0   0.259   2.9701   1.7660   0.5443
 M34  H35   H   HCH2  0   0.226   5.8309  -0.7383  -2.8324
 M34  H35A  H   HCH2  0   0.242   4.2291  -0.7673  -2.1347
 M34  HN36  H   HNH2  0   0.346   5.4171   1.5204  -3.4873
 M34  HN3A  H   HNH2  0   0.355   4.1273   0.6578  -3.9472
 M34  H33   H   HCR6  0   0.261   7.6597  -0.1517  -1.5812
 M34  H32   H   HCR6  0   0.278   8.6968   0.6795   0.4900
 M34  H30   H   HCR6  0   0.274   4.8323   1.8592   1.9122

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
 M34  C1    C2    aromatic  1.389  0.020  1.389
 M34  C1    C6    aromatic  1.389  0.020  1.389
 M34  C2    C34   aromatic  1.387  0.020  1.387
 M34  C4    C5    aromatic  1.392  0.020  1.392
 M34  C4    C7    single    1.495  0.020  1.495
 M34  C4    C34   aromatic  1.392  0.020  1.392
 M34  C5    C6    aromatic  1.387  0.020  1.387
 M34  C7    S8    single    1.797  0.020  1.797
 M34  O7    S8    double    1.456  0.020  1.456
 M34  S8    N9    single    1.654  0.020  1.654
 M34  S8    O19   double    1.456  0.020  1.456
 M34  N9    C10   single    1.450  0.020  1.450
 M34  C10   C11   single    1.529  0.020  1.529
 M34  C10   C20   single    1.532  0.020  1.532
 M34  C11   N12   single    1.340  0.020  1.340
 M34  C11   O24   double    1.223  0.020  1.223
 M34  N12   C13   single    1.448  0.020  1.448
 M34  N12   C25   single    1.461  0.020  1.461
 M34  C13   C14   single    1.526  0.020  1.526
 M34  C13   C27   single    1.534  0.020  1.534
 M34  C14   N15   single    1.343  0.020  1.343
 M34  C14   O28   double    1.219  0.020  1.219
 M34  N15   C16   single    1.450  0.020  1.450
 M34  C16   C17   single    1.506  0.020  1.506
 M34  C17   C29   aromatic  1.402  0.020  1.402
 M34  C17   C30   aromatic  1.389  0.020  1.389
 M34  C20   C21   single    1.529  0.020  1.529
 M34  C21   C22   single    1.525  0.020  1.525
 M34  C21   C23   single    1.525  0.020  1.525
 M34  C25   C26   single    1.526  0.020  1.526
 M34  C26   C27   single    1.524  0.020  1.524
 M34  CL28  C31   single    1.735  0.020  1.735
 M34  C29   C33   aromatic  1.389  0.020  1.389
 M34  C29   C35   single    1.507  0.020  1.507
 M34  C30   C31   aromatic  1.387  0.020  1.387
 M34  C31   C32   aromatic  1.382  0.020  1.382
 M34  C32   C33   aromatic  1.389  0.020  1.389
 M34  C35   N36   single    1.456  0.020  1.456
 M34  C1    H1    single    0.930  0.020  1.080
 M34  C2    H2    single    0.930  0.020  1.080
 M34  C5    H5    single    0.930  0.020  1.080
 M34  C6    H6    single    0.930  0.020  1.080
 M34  C7    H7    single    0.970  0.020  1.090
 M34  C7    H7A   single    0.970  0.020  1.090
 M34  N9    HN9   single    0.890  0.020  1.040
 M34  C10   H10   single    0.970  0.020  1.090
 M34  C13   H13   single    0.970  0.020  1.090
 M34  N15   HN15  single    0.860  0.020  1.020
 M34  C16   H16   single    0.970  0.020  1.090
 M34  C16   H16A  single    0.970  0.020  1.090
 M34  C20   H20   single    0.970  0.020  1.090
 M34  C20   H20A  single    0.970  0.020  1.090
 M34  C21   H21   single    0.970  0.020  1.090
 M34  C22   H22   single    0.970  0.020  1.090
 M34  C22   H22A  single    0.970  0.020  1.090
 M34  C22   H22B  single    0.970  0.020  1.090
 M34  C23   H23   single    0.970  0.020  1.090
 M34  C23   H23A  single    0.970  0.020  1.090
 M34  C23   H23B  single    0.970  0.020  1.090
 M34  C25   H25   single    0.970  0.020  1.090
 M34  C25   H25A  single    0.970  0.020  1.090
 M34  C26   H26   single    0.970  0.020  1.090
 M34  C26   H26A  single    0.970  0.020  1.090
 M34  C27   H27   single    0.970  0.020  1.090
 M34  C27   H27A  single    0.970  0.020  1.090
 M34  C30   H30   single    0.930  0.020  1.080
 M34  C32   H32   single    0.930  0.020  1.080
 M34  C33   H33   single    0.930  0.020  1.080
 M34  C34   H34   single    0.930  0.020  1.080
 M34  C35   H35   single    0.970  0.020  1.090
 M34  C35   H35A  single    0.970  0.020  1.090
 M34  N36   HN36  single    0.890  0.020  1.040
 M34  N36   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
 M34  H7A   C7   H7    108.47  3.000
 M34  H7A   C7   C4    112.17  3.000
 M34  H7    C7   C4    112.76  3.000
 M34  H7A   C7   S8    106.60  3.000
 M34  H7    C7   S8    106.41  3.000
 M34  C4    C7   S8    110.09  3.000
 M34  N9    S8   O19   109.55  3.000
 M34  O19   S8   O7    119.66  3.000
 M34  N9    S8   O7    108.10  3.000
 M34  O19   S8   C7    107.75  3.000
 M34  N9    S8   C7    102.15  3.000
 M34  O7    S8   C7    108.22  3.000
 M34  C34   C4   C5    119.29  3.000
 M34  C34   C4   C7    120.41  3.000
 M34  C5    C4   C7    120.28  3.000
 M34  H5    C5   C6    119.84  3.000
 M34  H5    C5   C4    119.75  3.000
 M34  C6    C5   C4    120.40  3.000
 M34  H6    C6   C1    120.15  3.000
 M34  H6    C6   C5    119.80  3.000
 M34  C1    C6   C5    120.04  3.000
 M34  H1    C1   C2    120.07  3.000
 M34  H1    C1   C6    120.11  3.000
 M34  C2    C1   C6    119.81  3.000
 M34  H2    C2   C34   119.84  3.000
 M34  H2    C2   C1    120.06  3.000
 M34  C34   C2   C1    120.11  3.000
 M34  H34   C34  C2    119.82  3.000
 M34  H34   C34  C4    119.84  3.000
 M34  C2    C34  C4    120.34  3.000
 M34  HN9   N9   C10   114.50  3.000
 M34  HN9   N9   S8    111.44  3.000
 M34  C10   N9   S8    118.85  3.000
 M34  H10   C10  C11   110.04  3.000
 M34  H10   C10  C20   108.74  3.000
 M34  C11   C10  C20   109.78  3.000
 M34  H10   C10  N9    108.02  3.000
 M34  C20   C10  N9    109.21  3.000
 M34  C11   C10  N9    111.00  3.000
 M34  H20A  C20  H20   106.12  3.000
 M34  H20A  C20  C21   109.50  3.000
 M34  H20   C20  C21   109.02  3.000
 M34  H20A  C20  C10   108.82  3.000
 M34  H20   C20  C10   108.39  3.000
 M34  C21   C20  C10   114.65  3.000
 M34  H21   C21  C23   108.07  3.000
 M34  H21   C21  C22   108.11  3.000
 M34  C23   C21  C22   110.72  3.000
 M34  H21   C21  C20   108.14  3.000
 M34  C23   C21  C20   109.47  3.000
 M34  C22   C21  C20   112.21  3.000
 M34  H22B  C22  H22A  106.83  3.000
 M34  H22B  C22  H22   107.57  3.000
 M34  H22A  C22  H22   107.73  3.000
 M34  H22B  C22  C21   112.38  3.000
 M34  H22A  C22  C21   110.78  3.000
 M34  H22   C22  C21   111.32  3.000
 M34  H23B  C23  H23A  107.64  3.000
 M34  H23B  C23  H23   107.69  3.000
 M34  H23A  C23  H23   107.63  3.000
 M34  H23B  C23  C21   111.18  3.000
 M34  H23A  C23  C21   111.01  3.000
 M34  H23   C23  C21   111.51  3.000
 M34  N12   C11  O24   122.12  3.000
 M34  O24   C11  C10   120.62  3.000
 M34  N12   C11  C10   117.16  3.000
 M34  C25   N12  C13   112.98  3.000
 M34  C25   N12  C11   126.92  3.000
 M34  C13   N12  C11   119.57  3.000
 M34  H13   C13  C27   111.22  3.000
 M34  H13   C13  C14   110.53  3.000
 M34  C27   C13  C14   110.77  3.000
 M34  H13   C13  N12   110.61  3.000
 M34  C27   C13  N12   102.98  3.000
 M34  C14   C13  N12   110.51  3.000
 M34  N15   C14  O28   123.74  3.000
 M34  O28   C14  C13   121.71  3.000
 M34  N15   C14  C13   114.43  3.000
 M34  H27A  C27  H27   107.29  3.000
 M34  H27A  C27  C26   110.76  3.000
 M34  H27   C27  C26   113.49  3.000
 M34  H27A  C27  C13   108.92  3.000
 M34  H27   C27  C13   112.79  3.000
 M34  C26   C27  C13   103.56  3.000
 M34  H26A  C26  H26   107.90  3.000
 M34  H26A  C26  C25   110.14  3.000
 M34  H26   C26  C25   111.71  3.000
 M34  H26A  C26  C27   110.72  3.000
 M34  H26   C26  C27   112.68  3.000
 M34  C25   C26  C27   103.67  3.000
 M34  H25A  C25  H25   108.10  3.000
 M34  H25A  C25  C26   111.67  3.000
 M34  H25   C25  C26   110.98  3.000
 M34  H25A  C25  N12   111.45  3.000
 M34  H25   C25  N12   110.80  3.000
 M34  C26   C25  N12   103.85  3.000
 M34  HN15  N15  C16   117.66  3.000
 M34  HN15  N15  C14   118.94  3.000
 M34  C16   N15  C14   123.17  3.000
 M34  H16A  C16  H16   107.69  3.000
 M34  H16A  C16  C17   109.78  3.000
 M34  H16   C16  C17   109.54  3.000
 M34  H16A  C16  N15   110.57  3.000
 M34  H16   C16  N15   108.52  3.000
 M34  C17   C16  N15   110.67  3.000
 M34  C30   C17  C29   119.75  3.000
 M34  C30   C17  C16   118.80  3.000
 M34  C29   C17  C16   121.44  3.000
 M34  C33   C29  C35   119.43  3.000
 M34  C35   C29  C17   121.89  3.000
 M34  C33   C29  C17   118.64  3.000
 M34  H35A  C35  H35   105.92  3.000
 M34  H35A  C35  N36   108.14  3.000
 M34  H35   C35  N36   113.68  3.000
 M34  H35A  C35  C29   109.81  3.000
 M34  H35   C35  C29   108.48  3.000
 M34  N36   C35  C29   110.67  3.000
 M34  HN3A  N36  HN36  106.16  3.000
 M34  HN3A  N36  C35   109.41  3.000
 M34  HN36  N36  C35   109.41  3.000
 M34  H33   C33  C32   118.77  3.000
 M34  H33   C33  C29   119.25  3.000
 M34  C32   C33  C29   121.97  3.000
 M34  H32   C32  C31   120.97  3.000
 M34  H32   C32  C33   120.58  3.000
 M34  C31   C32  C33   118.44  3.000
 M34  C30   C31  CL28  119.27  3.000
 M34  C30   C31  C32   120.97  3.000
 M34  CL28  C31  C32   119.76  3.000
 M34  H30   C30  C31   119.95  3.000
 M34  H30   C30  C17   119.83  3.000
 M34  C31   C30  C17   120.22  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
 M34  CONST_01  C1    C6   C5   C4      0.00   0.0  0
 M34  CONST_02  C1    C2   C34  C4      0.00   0.0  0
 M34  CONST_03  C2    C34  C4   C5      0.00   0.0  0
 M34  CONST_04  C2    C1   C6   C5      0.00   0.0  0
 M34  CONST_05  C34   C2   C1   C6      0.00   0.0  0
 M34  CONST_06  C34   C4   C5   C6      0.00   0.0  0
 M34  CONST_07  C32   C33  C29  C17     0.00   0.0  0
 M34  CONST_08  C32   C31  C30  C17     0.00   0.0  0
 M34  CONST_09  C31   C30  C17  C29     0.00   0.0  0
 M34  CONST_10  C31   C32  C33  C29     0.00   0.0  0
 M34  CONST_11  C30   C17  C29  C33     0.00   0.0  0
 M34  CONST_12  C30   C31  C32  C33     0.00   0.0  0
 M34  CONST_13  C6    C5   C4   C7    180.00   0.0  0
 M34  CONST_14  C2    C34  C4   C7    180.00   0.0  0
 M34  CONST_15  C33   C29  C17  C16   180.00   0.0  0
 M34  CONST_16  C31   C30  C17  C16   180.00   0.0  0
 M34  CONST_17  CL28  C31  C30  C17   180.00   0.0  0
 M34  CONST_18  C30   C17  C29  C35   180.00   0.0  0
 M34  CONST_19  C32   C33  C29  C35   180.00   0.0  0
 M34  CONST_20  CL28  C31  C32  C33   180.00   0.0  0
 M34  CONST_21  H6    C6   C5   C4    180.00   0.0  0
 M34  CONST_22  H2    C2   C34  C4    180.00   0.0  0
 M34  CONST_23  H34   C34  C4   C5    180.00   0.0  0
 M34  CONST_24  H1    C1   C6   C5    180.00   0.0  0
 M34  CONST_25  H5    C5   C6   C1    180.00   0.0  0
 M34  CONST_26  H33   C33  C29  C17   180.00   0.0  0
 M34  CONST_27  H30   C30  C17  C29   180.00   0.0  0
 M34  CONST_28  H32   C32  C33  C29   180.00   0.0  0
 M34  CONST_29  C13   N12  C11  C10   180.00   0.0  0
 M34  CONST_30  C25   N12  C11  C10     0.00   0.0  0
 M34  CONST_31  C13   N12  C11  O24     0.00   0.0  0
 M34  CONST_32  C25   N12  C11  O24   180.00   0.0  0
 M34  CONST_33  C16   N15  C14  C13   180.00   0.0  0
 M34  CONST_34  HN15  N15  C14  C13     0.00   0.0  0
 M34  CONST_35  C16   N15  C14  O28     0.00   0.0  0
 M34  Var_01    C27   C26  C25  N12    26.45  30.0  1
 M34  Var_02    C26   C25  N12  C13    -6.77  30.0  1
 M34  Var_03    C25   C26  C27  C13   -36.03  30.0  1
 M34  Var_04    C5    C4   C7   S8     91.11  30.0  2
 M34  Var_05    C29   C17  C16  N15    73.75  30.0  2
 M34  Var_06    N36   C35  C29  C17    68.56  30.0  2
 M34  Var_07    O7    S8   C7   C4     67.96  30.0  3
 M34  Var_08    C17   C16  N15  C14  -150.74  30.0  3
 M34  Var_09    HN36  N36  C35  C29    71.34  30.0  3
 M34  Var_10    C10   N9   S8   C7    105.87  30.0  3
 M34  Var_11    C22   C21  C20  C10    56.98  30.0  3
 M34  Var_12    H22   C22  C21  C20    55.53  30.0  3
 M34  Var_13    H23   C23  C21  C20    57.25  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
 M34  chir_01  C10  N9   C11  C20  negativ
 M34  chir_02  C13  N12  C14  C27  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
 M34  plan-1  C7    0.020
 M34  plan-1  C4    0.020
 M34  plan-1  C5    0.020
 M34  plan-1  C6    0.020
 M34  plan-1  C1    0.020
 M34  plan-1  C2    0.020
 M34  plan-1  C34   0.020
 M34  plan-1  H5    0.020
 M34  plan-1  H6    0.020
 M34  plan-1  H1    0.020
 M34  plan-1  H2    0.020
 M34  plan-1  H34   0.020
 M34  plan-2  C16   0.020
 M34  plan-2  C17   0.020
 M34  plan-2  C29   0.020
 M34  plan-2  C35   0.020
 M34  plan-2  C33   0.020
 M34  plan-2  C32   0.020
 M34  plan-2  C31   0.020
 M34  plan-2  CL28  0.020
 M34  plan-2  C30   0.020
 M34  plan-2  H33   0.020
 M34  plan-2  H32   0.020
 M34  plan-2  H30   0.020
 M34  plan-3  C13   0.020
 M34  plan-3  C14   0.020
 M34  plan-3  O28   0.020
 M34  plan-3  N15   0.020
 M34  plan-3  C16   0.020
 M34  plan-3  HN15  0.020
 M34  plan-4  C10   0.020
 M34  plan-4  C11   0.020
 M34  plan-4  O24   0.020
 M34  plan-4  N12   0.020
 M34  plan-4  C13   0.020
 M34  plan-4  C25   0.020

