# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May 10 10:18:02 2020
#   Inital geometry file: a 166 line input string
#   Ligand name: N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(N[C@]1(CCN(Cc2ccccc2)C1)C#N)[C@H](CC3CCCCC3)NC(=O)N4CCOCC4
#
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
 Y14  Y14  N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide  ligand  71  34  .  2021-08-25  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_Y14
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
 Y14  C01   C  C     0   0.754   2.7761  -0.9575   0.9785
 Y14  C02   C  CH2   0  -0.337   4.2378  -2.2214  -0.5907
 Y14  C03   C  CH2   0  -0.181   4.6149  -3.6899  -0.6999
 Y14  C04   C  CH2   0  -0.192   4.8397  -3.9083   1.5904
 Y14  C05   C  CH2   0  -0.306   4.4952  -2.4507   1.8210
 Y14  O06   O  O     0  -0.542   2.3737  -0.7213   2.1126
 Y14  O07   O  O2    0  -0.482   5.4672  -4.0997   0.3418
 Y14  N08   N  NT    0  -0.513   3.6856  -1.9463   0.7237
 Y14  N09   N  NH1   0  -0.695   2.3020  -0.2793  -0.1059
 Y14  C10   C  CH1   0  -0.193   1.3746   0.8182   0.0451
 Y14  C11   C  CH2   0  -0.410   2.0910   2.1585   0.2466
 Y14  C12   C  CH1   0  -0.251   1.1830   3.3846   0.3224
 Y14  C13   C  CH2   0  -0.418   0.2116   3.3364   1.5034
 Y14  C14   C  CH2   0  -0.428  -0.6634   4.5853   1.5677
 Y14  C15   C  CH2   0  -0.430   0.1810   5.8538   1.6226
 Y14  C16   C  CH2   0  -0.433   1.1571   5.9105   0.4526
 Y14  C17   C  CH2   0  -0.411   2.0263   4.6590   0.3937
 Y14  C18   C  C     0   0.570   0.5304   0.8658  -1.2211
 Y14  O19   O  O     0  -0.473   1.0380   0.9090  -2.3299
 Y14  C20   C  CH2   0  -0.260  -3.1593   1.0254  -1.5158
 Y14  C21   C  CH2   0  -0.458  -1.8744  -0.5328  -2.7565
 Y14  C22   C  CH2   0  -0.261  -2.8656  -1.2647  -1.8332
 Y14  N23   N  NH1   0  -0.645  -0.7992   0.8995  -1.0290
 Y14  N24   N  NR5   0  -0.440  -3.3001  -0.2566  -0.8706
 Y14  C25   C  CH2   0  -0.332  -4.5723  -0.5089  -0.2398
 Y14  C26   C  CR6   0   0.095  -4.5119  -1.7126   0.6655
 Y14  C27   C  CR16  0  -0.282  -3.4621  -1.8609   1.5701
 Y14  C28   C  CR16  0  -0.242  -3.4100  -2.9558   2.4193
 Y14  C29   C  CR16  0  -0.270  -4.4100  -3.9214   2.3782
 Y14  C30   C  CR16  0  -0.240  -5.4584  -3.7823   1.4804
 Y14  C31   C  CR16  0  -0.315  -5.5048  -2.6852   0.6275
 Y14  C32   C  CSP   0   0.136  -1.4696   1.9241  -3.0830
 Y14  N33   N  NS    0  -0.252  -1.3192   2.7642  -3.8531
 Y14  C34   C  CR5   0   0.008  -1.7555   0.8655  -2.1143
 Y14  H021  H  HCH2  0   0.243   5.1118  -1.5894  -0.7913
 Y14  H022  H  HCH2  0   0.256   3.4991  -2.0318  -1.3686
 Y14  H031  H  HCH2  0   0.209   3.6975  -4.2947  -0.7051
 Y14  H032  H  HCH2  0   0.247   5.1364  -3.8584  -1.6429
 Y14  H041  H  HCH2  0   0.244   5.5311  -4.2484   2.3623
 Y14  H042  H  HCH2  0   0.208   3.9276  -4.5176   1.6575
 Y14  H051  H  HCH2  0   0.265   3.9496  -2.3565   2.7563
 Y14  H052  H  HCH2  0   0.232   5.4177  -1.8631   1.9092
 Y14  HN09  H  HNH1  0   0.401   2.8415  -0.2618  -0.9567
 Y14  H10   H  HCH1  0   0.269   0.7424   0.6078   0.9082
 Y14  H111  H  HCH2  0   0.240   2.6807   2.0852   1.1657
 Y14  H112  H  HCH2  0   0.232   2.8045   2.2902  -0.5730
 Y14  H12   H  HCH1  0   0.214   0.5889   3.4420  -0.6008
 Y14  H131  H  HCH2  0   0.215  -0.4280   2.4517   1.4492
 Y14  H132  H  HCH2  0   0.213   0.7875   3.2437   2.4321
 Y14  H141  H  HCH2  0   0.208  -1.3081   4.6176   0.6827
 Y14  H142  H  HCH2  0   0.228  -1.3279   4.5314   2.4334
 Y14  H151  H  HCH2  0   0.226  -0.4608   6.7382   1.6251
 Y14  H152  H  HCH2  0   0.208   0.7415   5.8727   2.5641
 Y14  H161  H  HCH2  0   0.209   0.5943   5.9975  -0.4835
 Y14  H162  H  HCH2  0   0.227   1.7849   6.8021   0.5219
 Y14  H171  H  HCH2  0   0.208   2.6652   4.6143   1.2839
 Y14  H172  H  HCH2  0   0.227   2.6976   4.7069  -0.4686
 Y14  H201  H  HCH2  0   0.249  -3.8856   1.2097  -2.3217
 Y14  H202  H  HCH2  0   0.275  -3.2253   1.8491  -0.8021
 Y14  H211  H  HCH2  0   0.281  -0.9068  -1.0238  -2.8364
 Y14  H212  H  HCH2  0   0.272  -2.2808  -0.4408  -3.7634
 Y14  H221  H  HCH2  0   0.226  -3.7071  -1.6546  -2.4206
 Y14  H222  H  HCH2  0   0.247  -2.4070  -2.1093  -1.3185
 Y14  HN23  H  HNH1  0   0.407  -1.1774   0.6759  -0.1201
 Y14  H251  H  HCH2  0   0.259  -4.8372   0.3734   0.3506
 Y14  H252  H  HCH2  0   0.224  -5.3784  -0.6446  -0.9779
 Y14  H27   H  HCR6  0   0.246  -2.6764  -1.1162   1.6027
 Y14  H28   H  HCR6  0   0.254  -2.5865  -3.0583   3.1146
 Y14  H29   H  HCR6  0   0.254  -4.3681  -4.7776   3.0389
 Y14  H30   H  HCR6  0   0.254  -6.2388  -4.5310   1.4356
 Y14  H31   H  HCR6  0   0.249  -6.3211  -2.5891  -0.0788

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
 Y14  C04  O07   single    1.411  0.020  1.411
 Y14  C04  C05   single    1.515  0.020  1.515
 Y14  O07  C03   single    1.407  0.020  1.407
 Y14  C05  N08   single    1.454  0.020  1.454
 Y14  C14  C13   single    1.526  0.020  1.526
 Y14  C14  C15   single    1.525  0.020  1.525
 Y14  C03  C02   single    1.520  0.020  1.520
 Y14  C13  C12   single    1.530  0.020  1.530
 Y14  N08  C02   single    1.452  0.020  1.452
 Y14  N08  C01   single    1.367  0.020  1.367
 Y14  C15  C16   single    1.525  0.020  1.525
 Y14  C12  C11   single    1.528  0.020  1.528
 Y14  C12  C17   single    1.530  0.020  1.530
 Y14  N09  C01   single    1.364  0.020  1.364
 Y14  N09  C10   single    1.445  0.020  1.445
 Y14  C11  C10   single    1.533  0.020  1.533
 Y14  C16  C17   single    1.525  0.020  1.525
 Y14  C01  O06   double    1.226  0.020  1.226
 Y14  O19  C18   double    1.220  0.020  1.220
 Y14  C10  C18   single    1.523  0.020  1.523
 Y14  C18  N23   single    1.344  0.020  1.344
 Y14  N23  C34   single    1.447  0.020  1.447
 Y14  C32  N33   triple    1.150  0.020  1.150
 Y14  C32  C34   single    1.463  0.020  1.463
 Y14  C21  C34   single    1.543  0.020  1.543
 Y14  C21  C22   single    1.540  0.020  1.540
 Y14  C34  C20   single    1.534  0.020  1.534
 Y14  C22  N24   single    1.460  0.020  1.460
 Y14  C20  N24   single    1.442  0.020  1.442
 Y14  N24  C25   single    1.442  0.020  1.442
 Y14  C25  C26   single    1.507  0.020  1.507
 Y14  C31  C26   aromatic  1.390  0.020  1.390
 Y14  C31  C30   aromatic  1.390  0.020  1.390
 Y14  C26  C27   aromatic  1.394  0.020  1.394
 Y14  C30  C29   aromatic  1.387  0.020  1.387
 Y14  C27  C28   aromatic  1.387  0.020  1.387
 Y14  C29  C28   aromatic  1.391  0.020  1.391
 Y14  C02  H021  single    0.970  0.020  1.090
 Y14  C02  H022  single    0.970  0.020  1.090
 Y14  C03  H031  single    0.970  0.020  1.090
 Y14  C03  H032  single    0.970  0.020  1.090
 Y14  C04  H041  single    0.970  0.020  1.090
 Y14  C04  H042  single    0.970  0.020  1.090
 Y14  C05  H051  single    0.970  0.020  1.090
 Y14  C05  H052  single    0.970  0.020  1.090
 Y14  N09  HN09  single    0.890  0.020  1.040
 Y14  C10  H10   single    0.970  0.020  1.090
 Y14  C11  H111  single    0.970  0.020  1.090
 Y14  C11  H112  single    0.970  0.020  1.090
 Y14  C12  H12   single    0.970  0.020  1.090
 Y14  C13  H131  single    0.970  0.020  1.090
 Y14  C13  H132  single    0.970  0.020  1.090
 Y14  C14  H141  single    0.970  0.020  1.090
 Y14  C14  H142  single    0.970  0.020  1.090
 Y14  C15  H151  single    0.970  0.020  1.090
 Y14  C15  H152  single    0.970  0.020  1.090
 Y14  C16  H161  single    0.970  0.020  1.090
 Y14  C16  H162  single    0.970  0.020  1.090
 Y14  C17  H171  single    0.970  0.020  1.090
 Y14  C17  H172  single    0.970  0.020  1.090
 Y14  C20  H201  single    0.970  0.020  1.090
 Y14  C20  H202  single    0.970  0.020  1.090
 Y14  C21  H211  single    0.970  0.020  1.090
 Y14  C21  H212  single    0.970  0.020  1.090
 Y14  C22  H221  single    0.970  0.020  1.090
 Y14  C22  H222  single    0.970  0.020  1.090
 Y14  N23  HN23  single    0.860  0.020  1.020
 Y14  C25  H251  single    0.970  0.020  1.090
 Y14  C25  H252  single    0.970  0.020  1.090
 Y14  C27  H27   single    0.930  0.020  1.080
 Y14  C28  H28   single    0.930  0.020  1.080
 Y14  C29  H29   single    0.930  0.020  1.080
 Y14  C30  H30   single    0.930  0.020  1.080
 Y14  C31  H31   single    0.930  0.020  1.080

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
 Y14  N09   C01  N08   116.27  3.000
 Y14  N09   C01  O06   121.69  3.000
 Y14  N08   C01  O06   122.00  3.000
 Y14  H022  C02  H021  108.03  3.000
 Y14  H022  C02  N08   110.82  3.000
 Y14  H021  C02  N08   111.06  3.000
 Y14  H022  C02  C03   106.56  3.000
 Y14  H021  C02  C03   110.22  3.000
 Y14  N08   C02  C03   110.02  3.000
 Y14  H032  C03  H031  108.07  3.000
 Y14  H032  C03  O07   107.79  3.000
 Y14  H031  C03  O07   110.42  3.000
 Y14  H032  C03  C02   109.27  3.000
 Y14  H031  C03  C02   108.96  3.000
 Y14  O07   C03  C02   112.24  3.000
 Y14  H042  C04  H041  108.06  3.000
 Y14  H042  C04  O07   110.37  3.000
 Y14  H041  C04  O07   107.59  3.000
 Y14  H042  C04  C05   109.59  3.000
 Y14  H041  C04  C05   109.65  3.000
 Y14  O07   C04  C05   111.49  3.000
 Y14  H052  C05  H051  107.85  3.000
 Y14  H052  C05  N08   110.06  3.000
 Y14  H051  C05  N08   109.87  3.000
 Y14  H052  C05  C04   109.64  3.000
 Y14  H051  C05  C04   109.17  3.000
 Y14  N08   C05  C04   110.20  3.000
 Y14  C04   O07  C03   110.27  3.000
 Y14  C05   N08  C02   113.94  3.000
 Y14  C02   N08  C01   123.96  3.000
 Y14  C05   N08  C01   118.72  3.000
 Y14  HN09  N09  C10   114.76  3.000
 Y14  HN09  N09  C01   119.59  3.000
 Y14  C10   N09  C01   121.18  3.000
 Y14  H10   C10  C18   110.05  3.000
 Y14  H10   C10  C11   109.61  3.000
 Y14  C18   C10  C11   109.94  3.000
 Y14  H10   C10  N09   107.96  3.000
 Y14  C18   C10  N09   107.02  3.000
 Y14  C11   C10  N09   112.20  3.000
 Y14  H112  C11  H111  106.59  3.000
 Y14  H112  C11  C12   109.15  3.000
 Y14  H111  C11  C12   109.41  3.000
 Y14  H112  C11  C10   108.14  3.000
 Y14  H111  C11  C10   107.68  3.000
 Y14  C12   C11  C10   115.50  3.000
 Y14  H12   C12  C17   107.07  3.000
 Y14  H12   C12  C13   107.87  3.000
 Y14  C17   C12  C13   109.89  3.000
 Y14  H12   C12  C11   108.75  3.000
 Y14  C17   C12  C11   110.08  3.000
 Y14  C13   C12  C11   112.98  3.000
 Y14  H132  C13  H131  106.31  3.000
 Y14  H132  C13  C14   109.55  3.000
 Y14  H131  C13  C14   109.20  3.000
 Y14  H132  C13  C12   108.84  3.000
 Y14  H131  C13  C12   111.02  3.000
 Y14  C14   C13  C12   111.76  3.000
 Y14  H142  C14  H141  106.48  3.000
 Y14  H142  C14  C15   110.44  3.000
 Y14  H141  C14  C15   109.29  3.000
 Y14  H142  C14  C13   109.98  3.000
 Y14  H141  C14  C13   109.12  3.000
 Y14  C15   C14  C13   111.39  3.000
 Y14  H152  C15  H151  106.53  3.000
 Y14  H152  C15  C16   109.34  3.000
 Y14  H151  C15  C16   110.34  3.000
 Y14  H152  C15  C14   109.18  3.000
 Y14  H151  C15  C14   110.37  3.000
 Y14  C16   C15  C14   110.96  3.000
 Y14  H162  C16  H161  106.53  3.000
 Y14  H162  C16  C17   110.16  3.000
 Y14  H161  C16  C17   108.97  3.000
 Y14  H162  C16  C15   110.46  3.000
 Y14  H161  C16  C15   109.25  3.000
 Y14  C17   C16  C15   111.34  3.000
 Y14  H172  C17  H171  106.50  3.000
 Y14  H172  C17  C16   110.14  3.000
 Y14  H171  C17  C16   109.53  3.000
 Y14  H172  C17  C12   109.76  3.000
 Y14  H171  C17  C12   108.97  3.000
 Y14  C16   C17  C12   111.79  3.000
 Y14  N23   C18  O19   122.72  3.000
 Y14  N23   C18  C10   115.50  3.000
 Y14  O19   C18  C10   121.75  3.000
 Y14  H202  C20  H201  108.20  3.000
 Y14  H202  C20  C34   112.89  3.000
 Y14  H201  C20  C34   109.61  3.000
 Y14  H202  C20  N24   111.86  3.000
 Y14  H201  C20  N24   114.33  3.000
 Y14  C34   C20  N24    99.86  3.000
 Y14  H212  C21  H211  107.57  3.000
 Y14  H212  C21  C34   109.67  3.000
 Y14  H211  C21  C34   111.77  3.000
 Y14  H212  C21  C22   110.74  3.000
 Y14  H211  C21  C22   113.71  3.000
 Y14  C34   C21  C22   103.35  3.000
 Y14  H222  C22  H221  107.45  3.000
 Y14  H222  C22  N24   110.41  3.000
 Y14  H221  C22  N24   111.71  3.000
 Y14  H222  C22  C21   112.37  3.000
 Y14  H221  C22  C21   109.96  3.000
 Y14  N24   C22  C21   104.99  3.000
 Y14  HN23  N23  C34   114.99  3.000
 Y14  HN23  N23  C18   119.59  3.000
 Y14  C34   N23  C18   123.10  3.000
 Y14  C25   N24  C22   115.47  3.000
 Y14  C25   N24  C20   115.93  3.000
 Y14  C22   N24  C20   106.85  3.000
 Y14  H252  C25  H251  106.48  3.000
 Y14  H252  C25  C26   109.48  3.000
 Y14  H251  C25  C26   109.24  3.000
 Y14  H252  C25  N24   111.97  3.000
 Y14  H251  C25  N24   107.97  3.000
 Y14  C26   C25  N24   111.53  3.000
 Y14  C31   C26  C27   118.76  3.000
 Y14  C27   C26  C25   120.33  3.000
 Y14  C31   C26  C25   120.90  3.000
 Y14  H27   C27  C28   119.81  3.000
 Y14  H27   C27  C26   119.53  3.000
 Y14  C28   C27  C26   120.66  3.000
 Y14  H28   C28  C29   120.01  3.000
 Y14  H28   C28  C27   119.78  3.000
 Y14  C29   C28  C27   120.20  3.000
 Y14  H29   C29  C30   120.24  3.000
 Y14  H29   C29  C28   120.23  3.000
 Y14  C30   C29  C28   119.54  3.000
 Y14  H30   C30  C31   119.76  3.000
 Y14  H30   C30  C29   120.15  3.000
 Y14  C31   C30  C29   120.08  3.000
 Y14  H31   C31  C30   119.66  3.000
 Y14  H31   C31  C26   119.58  3.000
 Y14  C30   C31  C26   120.76  3.000
 Y14  C34   C32  N33   180.00  3.000
 Y14  C32   C34  N23   110.51  3.000
 Y14  C32   C34  C21   113.28  3.000
 Y14  N23   C34  C21   112.60  3.000
 Y14  C21   C34  C20   100.73  3.000
 Y14  C32   C34  C20   111.20  3.000
 Y14  N23   C34  C20   108.04  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
 Y14  CONST_01  C29   C30  C31  C26     0.00   0.0  0
 Y14  CONST_02  C29   C28  C27  C26     0.00   0.0  0
 Y14  CONST_03  C30   C31  C26  C27     0.00   0.0  0
 Y14  CONST_04  C30   C29  C28  C27     0.00   0.0  0
 Y14  CONST_05  C31   C26  C27  C28     0.00   0.0  0
 Y14  CONST_06  C31   C30  C29  C28     0.00   0.0  0
 Y14  CONST_07  C30   C31  C26  C25   180.00   0.0  0
 Y14  CONST_08  C28   C27  C26  C25   180.00   0.0  0
 Y14  CONST_09  H30   C30  C31  C26   180.00   0.0  0
 Y14  CONST_10  H28   C28  C27  C26   180.00   0.0  0
 Y14  CONST_11  H31   C31  C26  C27   180.00   0.0  0
 Y14  CONST_12  H29   C29  C28  C27   180.00   0.0  0
 Y14  CONST_13  H27   C27  C28  C29   180.00   0.0  0
 Y14  CONST_14  O06   C01  N08  C02   180.00   0.0  0
 Y14  CONST_16  N09   C01  N08  C02     0.00   0.0  0
 Y14  CONST_18  C34   N23  C18  C10   180.00   0.0  0
 Y14  CONST_19  C34   N23  C18  O19     0.00   0.0  0
 Y14  CONST_20  C10   N09  C01  N08   180.00   0.0  0
 Y14  CONST_22  C10   N09  C01  O06     0.00   0.0  0
 Y14  CONST_23  HN23  N23  C18  C10     0.00   0.0  0
 Y14  Var_01    C04   C05  N08  C02   -50.42  30.0  1
 Y14  Var_02    C05   C04  O07  C03   -60.33  30.0  1
 Y14  Var_03    C05   N08  C02  C03    49.48  30.0  1
 Y14  Var_04    N08   C05  C04  O07    55.08  30.0  1
 Y14  Var_05    N08   C02  C03  O07   -53.75  30.0  1
 Y14  Var_06    C15   C14  C13  C12   -55.87  30.0  1
 Y14  Var_07    C15   C16  C17  C12    56.03  30.0  1
 Y14  Var_08    C16   C15  C14  C13    54.94  30.0  1
 Y14  Var_09    C17   C16  C15  C14   -55.01  30.0  1
 Y14  Var_10    C21   C22  N24  C20    26.32  30.0  1
 Y14  Var_11    C34   C20  N24  C22   -46.34  30.0  1
 Y14  Var_12    C34   C21  C22  N24     4.70  30.0  1
 Y14  Var_13    C26   C25  N24  C20  -166.72  30.0  3
 Y14  Var_14    C31   C26  C25  N24  -133.74  30.0  2
 Y14  Var_15    H031  C03  O07  C04   -61.94  30.0  1

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
 Y14  chir_01  C10  N09  C11  C18  negativ
 Y14  chir_02  C12  C13  C11  C17  positiv
 Y14  chir_03  C34  C32  C21  C20  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
 Y14  plan-1  C01   0.020
 Y14  plan-1  C02   0.020
 Y14  plan-1  C05   0.020
 Y14  plan-1  O06   0.020
 Y14  plan-1  N08   0.020
 Y14  plan-1  N09   0.020
 Y14  plan-1  C10   0.020
 Y14  plan-1  HN09  0.020
 Y14  plan-2  C25   0.020
 Y14  plan-2  C26   0.020
 Y14  plan-2  C27   0.020
 Y14  plan-2  C28   0.020
 Y14  plan-2  C29   0.020
 Y14  plan-2  C30   0.020
 Y14  plan-2  C31   0.020
 Y14  plan-2  H27   0.020
 Y14  plan-2  H28   0.020
 Y14  plan-2  H29   0.020
 Y14  plan-2  H30   0.020
 Y14  plan-2  H31   0.020
 Y14  plan-3  C10   0.020
 Y14  plan-3  C18   0.020
 Y14  plan-3  O19   0.020
 Y14  plan-3  N23   0.020
 Y14  plan-3  C34   0.020
 Y14  plan-3  HN23  0.020

