# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun May 10 03:40:30 2020
#   Inital geometry file: a 165 line input string
#   Ligand name: (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(=O)N1[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)C4=C(CC(C)(C)CC4=O)Nc5ccccc15
#
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
 XNI  XNI  (11S)-10-acetyl-11-[4-(benzyloxy)-3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one  ligand  65  36  .  2021-08-24  2021-08-24  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_XNI
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
 XNI  C1    C   CH2   0  -0.531  -3.7714  -3.2298   0.6624
 XNI  C2    C   CT    0  -0.135  -4.8513  -2.3722   1.3126
 XNI  C3    C   CH2   0  -0.525  -4.1426  -1.2103   2.0017
 XNI  C4    C   C     0   0.370  -3.2156  -0.4439   1.0958
 XNI  C5    C   C     0  -0.134  -2.6257  -1.0445   0.0198
 XNI  C6    C   C     0   0.374  -2.8489  -2.4531  -0.2432
 XNI  C8    C   CR6   0   0.390  -2.1822   1.8522   1.0988
 XNI  N10   N   NT    0  -0.519  -2.2274   1.0505  -1.1723
 XNI  C11   C   CH1   0  -0.208  -1.7651  -0.3269  -0.9808
 XNI  C12   C   CR16  0  -0.341  -1.7541   2.7863   2.0433
 XNI  C15   C   CR16  0  -0.251  -0.9168   3.0209  -0.5851
 XNI  C16   C   CR6   0   0.099  -0.2837  -0.3224  -0.6766
 XNI  C17   C   C     0   0.507  -3.2676   1.2934  -2.0209
 XNI  C19   C   CH3   0  -0.791  -3.7907   2.7068  -2.0655
 XNI  C21   C   CR6   0  -0.152   1.9520   0.1673  -1.4255
 XNI  C23   C   CR16  0  -0.381   1.6089  -0.6551   0.7919
 XNI  C24   C   CR16  0  -0.268   0.2415  -0.7059   0.5441
 XNI  C27   C   CR6   0   0.099   5.8476  -0.0565   1.1485
 XNI  C30   C   CR16  0  -0.263   8.5676   0.5453   1.0057
 XNI  C31   C   CR16  0  -0.242   7.6207   1.5489   0.8313
 XNI  C32   C   CR16  0  -0.281   6.2693   1.2493   0.9041
 XNI  C34   C   CH3   0  -0.643  -5.8398  -1.8587   0.2630
 XNI  C35   C   CH3   0  -0.639  -5.6105  -3.1889   2.3540
 XNI  CL36  CL  CL    0  -0.115   3.0279   0.7141  -2.6656
 XNI  C20   C   CR16  0  -0.222   0.5968   0.1094  -1.6673
 XNI  C22   C   CR6   0   0.451   2.4876  -0.2102  -0.1877
 XNI  C26   C   CH2   0  -0.267   4.3840  -0.3689   1.2307
 XNI  C29   C   CR16  0  -0.241   8.1551  -0.7565   1.2500
 XNI  C28   C   CR16  0  -0.305   6.7991  -1.0552   1.3165
 XNI  O33   O   O     0  -0.457  -2.2761  -3.0233  -1.1661
 XNI  O18   O   O     0  -0.478  -3.7380   0.4084  -2.7157
 XNI  C9    C   CR6   0   0.225  -1.7795   1.9947  -0.2263
 XNI  C14   C   CR16  0  -0.275  -0.4979   3.9497   0.3520
 XNI  C13   C   CR16  0  -0.245  -0.9276   3.8303   1.6687
 XNI  N7    N   NH1   0  -0.780  -3.0457   0.8379   1.5139
 XNI  H1    H   HCH2  0   0.266  -3.1496  -3.6856   1.4439
 XNI  H1A   H   HCH2  0   0.258  -4.2070  -4.0551   0.0930
 XNI  H3    H   HCH2  0   0.268  -4.8817  -0.5259   2.4296
 XNI  H3A   H   HCH2  0   0.282  -3.5540  -1.5890   2.8460
 XNI  H11   H   HCH1  0   0.283  -1.8930  -0.8330  -1.9382
 XNI  H12   H   HCR6  0   0.276  -2.0747   2.6909   3.0738
 XNI  H15   H   HCR6  0   0.264  -0.5895   3.0895  -1.6146
 XNI  H19   H   HCH3  0   0.271  -3.0423   3.3893  -2.4684
 XNI  H19A  H   HCH3  0   0.268  -4.6687   2.7412  -2.7056
 XNI  H19B  H   HCH3  0   0.265  -4.0609   3.0738  -1.0754
 XNI  H23   H   HCR6  0   0.291   1.9736  -0.9728   1.7591
 XNI  H24   H   HCR6  0   0.254  -0.4104  -1.0619   1.3312
 XNI  H30   H   HCR6  0   0.259   9.6229   0.7795   0.9523
 XNI  H31   H   HCR6  0   0.258   7.9377   2.5663   0.6418
 XNI  H32   H   HCR6  0   0.254   5.5366   2.0371   0.7766
 XNI  H34   H   HCH3  0   0.232  -6.3382  -2.6946  -0.2311
 XNI  H34A  H   HCH3  0   0.230  -6.6092  -1.2387   0.7280
 XNI  H34B  H   HCH3  0   0.236  -5.3560  -1.2575  -0.5084
 XNI  H35   H   HCH3  0   0.227  -4.9427  -3.5730   3.1277
 XNI  H35A  H   HCH3  0   0.231  -6.3762  -2.5835   2.8433
 XNI  H35B  H   HCH3  0   0.233  -6.1101  -4.0412   1.8889
 XNI  H20   H   HCR6  0   0.273   0.2182   0.4149  -2.6353
 XNI  H26   H   HCH2  0   0.247   3.8999   0.2641   1.9823
 XNI  H26A  H   HCH2  0   0.249   4.2283  -1.4121   1.5231
 XNI  H29   H   HCR6  0   0.259   8.8869  -1.5420   1.3860
 XNI  H28   H   HCR6  0   0.256   6.4819  -2.0740   1.5042
 XNI  H14   H   HCR6  0   0.260   0.1606   4.7570   0.0614
 XNI  H13   H   HCR6  0   0.264  -0.6087   4.5478   2.4130
 XNI  HN7   H   HNH1  0   0.417  -3.5175   1.0508   2.3801
 XNI  O25   O   O2    0  -0.451   3.8172  -0.1175  -0.0495

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
 XNI  C1   C2    single    1.525  0.020  1.525
 XNI  C1   C6    single    1.508  0.020  1.508
 XNI  C2   C3    single    1.525  0.020  1.525
 XNI  C2   C34   single    1.530  0.020  1.530
 XNI  C2   C35   single    1.526  0.020  1.526
 XNI  C3   C4    single    1.506  0.020  1.506
 XNI  C4   C5    double    1.366  0.020  1.366
 XNI  C4   N7    single    1.359  0.020  1.359
 XNI  C5   C6    single    1.450  0.020  1.450
 XNI  C5   C11   single    1.502  0.020  1.502
 XNI  C6   O33   double    1.227  0.020  1.227
 XNI  C8   C12   aromatic  1.396  0.020  1.396
 XNI  C8   C9    aromatic  1.392  0.020  1.392
 XNI  C8   N7    single    1.395  0.020  1.395
 XNI  N10  C11   single    1.465  0.020  1.465
 XNI  N10  C17   single    1.364  0.020  1.364
 XNI  N10  C9    single    1.410  0.020  1.410
 XNI  C11  C16   single    1.512  0.020  1.512
 XNI  C12  C13   aromatic  1.383  0.020  1.383
 XNI  C15  C9    aromatic  1.388  0.020  1.388
 XNI  C15  C14   aromatic  1.384  0.020  1.384
 XNI  C16  C24   aromatic  1.383  0.020  1.383
 XNI  C16  C20   aromatic  1.394  0.020  1.394
 XNI  C17  C19   single    1.508  0.020  1.508
 XNI  C17  O18   double    1.219  0.020  1.219
 XNI  C21  CL36  single    1.730  0.020  1.730
 XNI  C21  C20   aromatic  1.378  0.020  1.378
 XNI  C21  C22   aromatic  1.401  0.020  1.401
 XNI  C23  C24   aromatic  1.391  0.020  1.391
 XNI  C23  C22   aromatic  1.389  0.020  1.389
 XNI  O25  C22   single    1.340  0.020  1.340
 XNI  O25  C26   single    1.422  0.020  1.422
 XNI  C27  C32   aromatic  1.394  0.020  1.394
 XNI  C27  C26   single    1.499  0.020  1.499
 XNI  C27  C28   aromatic  1.390  0.020  1.390
 XNI  C30  C31   aromatic  1.391  0.020  1.391
 XNI  C30  C29   aromatic  1.387  0.020  1.387
 XNI  C31  C32   aromatic  1.386  0.020  1.386
 XNI  C29  C28   aromatic  1.390  0.020  1.390
 XNI  C14  C13   aromatic  1.390  0.020  1.390
 XNI  C1   H1    single    0.970  0.020  1.090
 XNI  C1   H1A   single    0.970  0.020  1.090
 XNI  C3   H3    single    0.970  0.020  1.090
 XNI  C3   H3A   single    0.970  0.020  1.090
 XNI  C11  H11   single    0.970  0.020  1.090
 XNI  C12  H12   single    0.930  0.020  1.080
 XNI  C15  H15   single    0.930  0.020  1.080
 XNI  C19  H19   single    0.970  0.020  1.090
 XNI  C19  H19A  single    0.970  0.020  1.090
 XNI  C19  H19B  single    0.970  0.020  1.090
 XNI  C23  H23   single    0.930  0.020  1.080
 XNI  C24  H24   single    0.930  0.020  1.080
 XNI  C30  H30   single    0.930  0.020  1.080
 XNI  C31  H31   single    0.930  0.020  1.080
 XNI  C32  H32   single    0.930  0.020  1.080
 XNI  C34  H34   single    0.970  0.020  1.090
 XNI  C34  H34A  single    0.970  0.020  1.090
 XNI  C34  H34B  single    0.970  0.020  1.090
 XNI  C35  H35   single    0.970  0.020  1.090
 XNI  C35  H35A  single    0.970  0.020  1.090
 XNI  C35  H35B  single    0.970  0.020  1.090
 XNI  C20  H20   single    0.930  0.020  1.080
 XNI  C26  H26   single    0.970  0.020  1.090
 XNI  C26  H26A  single    0.970  0.020  1.090
 XNI  C29  H29   single    0.930  0.020  1.080
 XNI  C28  H28   single    0.930  0.020  1.080
 XNI  C14  H14   single    0.930  0.020  1.080
 XNI  C13  H13   single    0.930  0.020  1.080
 XNI  N7   HN7   single    0.860  0.020  1.020

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
 XNI  H1A   C1   H1    106.45  3.000
 XNI  H1A   C1   C6    108.65  3.000
 XNI  H1    C1   C6    107.15  3.000
 XNI  H1A   C1   C2    111.38  3.000
 XNI  H1    C1   C2    109.34  3.000
 XNI  C6    C1   C2    113.55  3.000
 XNI  C35   C2   C34   109.04  3.000
 XNI  C35   C2   C3    109.30  3.000
 XNI  C34   C2   C3    110.75  3.000
 XNI  C35   C2   C1    110.03  3.000
 XNI  C34   C2   C1    110.72  3.000
 XNI  C3    C2   C1    106.98  3.000
 XNI  H3A   C3   H3    106.10  3.000
 XNI  H3A   C3   C4    107.97  3.000
 XNI  H3    C3   C4    109.43  3.000
 XNI  H3A   C3   C2    109.52  3.000
 XNI  H3    C3   C2    109.83  3.000
 XNI  C4    C3   C2    113.70  3.000
 XNI  N7    C4   C5    127.08  3.000
 XNI  N7    C4   C3    111.84  3.000
 XNI  C5    C4   C3    121.06  3.000
 XNI  C11   C5   C6    115.55  3.000
 XNI  C11   C5   C4    124.19  3.000
 XNI  C6    C5   C4    120.23  3.000
 XNI  O33   C6   C5    121.06  3.000
 XNI  O33   C6   C1    119.87  3.000
 XNI  C5    C6   C1    119.04  3.000
 XNI  N7    C8   C9    122.45  3.000
 XNI  N7    C8   C12   118.37  3.000
 XNI  C9    C8   C12   119.14  3.000
 XNI  C9    N10  C17   122.72  3.000
 XNI  C9    N10  C11   116.21  3.000
 XNI  C17   N10  C11   119.28  3.000
 XNI  H11   C11  C16   107.03  3.000
 XNI  H11   C11  N10   106.53  3.000
 XNI  C16   C11  N10   109.42  3.000
 XNI  H11   C11  C5    107.21  3.000
 XNI  C16   C11  C5    115.38  3.000
 XNI  N10   C11  C5    110.81  3.000
 XNI  H12   C12  C13   120.05  3.000
 XNI  H12   C12  C8    119.60  3.000
 XNI  C13   C12  C8    120.34  3.000
 XNI  H15   C15  C14   120.65  3.000
 XNI  H15   C15  C9    118.73  3.000
 XNI  C14   C15  C9    120.61  3.000
 XNI  C20   C16  C24   118.25  3.000
 XNI  C20   C16  C11   118.47  3.000
 XNI  C24   C16  C11   123.27  3.000
 XNI  O18   C17  C19   121.98  3.000
 XNI  O18   C17  N10   121.29  3.000
 XNI  C19   C17  N10   116.73  3.000
 XNI  H19B  C19  H19A  108.91  3.000
 XNI  H19B  C19  H19   107.17  3.000
 XNI  H19A  C19  H19   108.48  3.000
 XNI  H19B  C19  C17   112.01  3.000
 XNI  H19A  C19  C17   109.11  3.000
 XNI  H19   C19  C17   111.08  3.000
 XNI  C22   C21  C20   121.32  3.000
 XNI  C22   C21  CL36  118.74  3.000
 XNI  C20   C21  CL36  119.94  3.000
 XNI  H23   C23  C22   120.76  3.000
 XNI  H23   C23  C24   118.70  3.000
 XNI  C22   C23  C24   120.53  3.000
 XNI  H24   C24  C23   118.34  3.000
 XNI  H24   C24  C16   120.29  3.000
 XNI  C23   C24  C16   121.36  3.000
 XNI  C28   C27  C26   120.82  3.000
 XNI  C28   C27  C32   119.16  3.000
 XNI  C26   C27  C32   120.02  3.000
 XNI  H30   C30  C29   120.11  3.000
 XNI  H30   C30  C31   120.09  3.000
 XNI  C29   C30  C31   119.79  3.000
 XNI  H31   C31  C32   119.86  3.000
 XNI  H31   C31  C30   120.06  3.000
 XNI  C32   C31  C30   120.07  3.000
 XNI  H32   C32  C31   119.73  3.000
 XNI  H32   C32  C27   119.82  3.000
 XNI  C31   C32  C27   120.45  3.000
 XNI  H34B  C34  H34A  107.49  3.000
 XNI  H34B  C34  H34   107.72  3.000
 XNI  H34A  C34  H34   107.81  3.000
 XNI  H34B  C34  C2    112.54  3.000
 XNI  H34A  C34  C2    110.70  3.000
 XNI  H34   C34  C2    110.39  3.000
 XNI  H35B  C35  H35A  107.63  3.000
 XNI  H35B  C35  H35   107.88  3.000
 XNI  H35A  C35  H35   107.84  3.000
 XNI  H35B  C35  C2    110.78  3.000
 XNI  H35A  C35  C2    110.98  3.000
 XNI  H35   C35  C2    111.56  3.000
 XNI  H20   C20  C21   119.25  3.000
 XNI  H20   C20  C16   120.11  3.000
 XNI  C21   C20  C16   120.64  3.000
 XNI  O25   C22  C23   125.24  3.000
 XNI  O25   C22  C21   116.87  3.000
 XNI  C23   C22  C21   117.88  3.000
 XNI  H26A  C26  H26   107.73  3.000
 XNI  H26A  C26  C27   110.62  3.000
 XNI  H26   C26  C27   110.41  3.000
 XNI  H26A  C26  O25   110.62  3.000
 XNI  H26   C26  O25   109.84  3.000
 XNI  C27   C26  O25   107.63  3.000
 XNI  H29   C29  C28   119.85  3.000
 XNI  H29   C29  C30   120.15  3.000
 XNI  C28   C29  C30   120.01  3.000
 XNI  H28   C28  C29   119.73  3.000
 XNI  H28   C28  C27   119.76  3.000
 XNI  C29   C28  C27   120.52  3.000
 XNI  C15   C9   N10   121.28  3.000
 XNI  C15   C9   C8    120.10  3.000
 XNI  N10   C9   C8    118.58  3.000
 XNI  H14   C14  C13   120.45  3.000
 XNI  H14   C14  C15   120.21  3.000
 XNI  C13   C14  C15   119.34  3.000
 XNI  H13   C13  C14   120.23  3.000
 XNI  H13   C13  C12   119.36  3.000
 XNI  C14   C13  C12   120.40  3.000
 XNI  HN7   N7   C8    113.04  3.000
 XNI  HN7   N7   C4    113.86  3.000
 XNI  C8    N7   C4    132.19  3.000
 XNI  C26   O25  C22   118.42  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
 XNI  CONST_01  C14   C13  C12  C8     0.00   0.0  0
 XNI  CONST_02  C15   C14  C13  C12    0.00   0.0  0
 XNI  CONST_03  C22   C23  C24  C16    0.00   0.0  0
 XNI  CONST_04  C22   C21  C20  C16    0.00   0.0  0
 XNI  CONST_05  C24   C16  C20  C21    0.00   0.0  0
 XNI  CONST_06  C24   C23  C22  C21    0.00   0.0  0
 XNI  CONST_07  C20   C16  C24  C23    0.00   0.0  0
 XNI  CONST_08  C20   C21  C22  C23    0.00   0.0  0
 XNI  CONST_09  C30   C31  C32  C27    0.00   0.0  0
 XNI  CONST_10  C30   C29  C28  C27    0.00   0.0  0
 XNI  CONST_11  C28   C29  C30  C31    0.00   0.0  0
 XNI  CONST_12  C28   C27  C32  C31    0.00   0.0  0
 XNI  CONST_13  C29   C28  C27  C32    0.00   0.0  0
 XNI  CONST_14  C29   C30  C31  C32    0.00   0.0  0
 XNI  CONST_15  C13   C14  C15  C9     0.00   0.0  0
 XNI  CONST_16  C23   C24  C16  C11  180.00   0.0  0
 XNI  CONST_17  C21   C20  C16  C11  180.00   0.0  0
 XNI  CONST_18  CL36  C21  C20  C16  180.00   0.0  0
 XNI  CONST_19  CL36  C21  C22  C23  180.00   0.0  0
 XNI  CONST_20  O25   C22  C23  C24  180.00   0.0  0
 XNI  CONST_21  C20   C21  C22  O25  180.00   0.0  0
 XNI  CONST_22  C26   C27  C32  C31  180.00   0.0  0
 XNI  CONST_23  C29   C28  C27  C26  180.00   0.0  0
 XNI  CONST_24  H13   C13  C12  C8   180.00   0.0  0
 XNI  CONST_25  H24   C24  C16  C11    0.00   0.0  0
 XNI  CONST_26  H20   C20  C16  C11    0.00   0.0  0
 XNI  CONST_27  H14   C14  C13  C12  180.00   0.0  0
 XNI  CONST_28  H23   C23  C24  C16  180.00   0.0  0
 XNI  CONST_29  H31   C31  C32  C27  180.00   0.0  0
 XNI  CONST_30  H29   C29  C28  C27  180.00   0.0  0
 XNI  CONST_31  H32   C32  C31  C30  180.00   0.0  0
 XNI  CONST_32  H28   C28  C29  C30  180.00   0.0  0
 XNI  CONST_33  H30   C30  C31  C32  180.00   0.0  0
 XNI  CONST_34  H12   C12  C13  C14  180.00   0.0  0
 XNI  CONST_35  H15   C15  C14  C13  180.00   0.0  0
 XNI  Var_01    C4    C3   C2   C1    53.27  30.0  1
 XNI  Var_02    C5    C6   C1   C2    27.83  30.0  1
 XNI  Var_03    C6    C1   C2   C3   -53.47  30.0  1
 XNI  Var_04    C32   C27  C26  O25   64.56  30.0  2
 XNI  Var_05    H34   C34  C2   C1    61.10  30.0  3
 XNI  Var_06    H35   C35  C2   C1    58.63  30.0  3
 XNI  Var_07    H19   C19  C17  N10   65.63  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
 XNI  chir_01  C11  C5  N10  C16  negativ

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
 XNI  plan-1  C11   0.020
 XNI  plan-1  C16   0.020
 XNI  plan-1  C21   0.020
 XNI  plan-1  C23   0.020
 XNI  plan-1  C24   0.020
 XNI  plan-1  CL36  0.020
 XNI  plan-1  C20   0.020
 XNI  plan-1  C22   0.020
 XNI  plan-1  H23   0.020
 XNI  plan-1  H24   0.020
 XNI  plan-1  H20   0.020
 XNI  plan-1  O25   0.020
 XNI  plan-2  C27   0.020
 XNI  plan-2  C30   0.020
 XNI  plan-2  C31   0.020
 XNI  plan-2  C32   0.020
 XNI  plan-2  C26   0.020
 XNI  plan-2  C29   0.020
 XNI  plan-2  C28   0.020
 XNI  plan-2  H30   0.020
 XNI  plan-2  H31   0.020
 XNI  plan-2  H32   0.020
 XNI  plan-2  H29   0.020
 XNI  plan-2  H28   0.020
 XNI  plan-3  C8    0.020
 XNI  plan-3  N10   0.020
 XNI  plan-3  C12   0.020
 XNI  plan-3  C15   0.020
 XNI  plan-3  C9    0.020
 XNI  plan-3  C14   0.020
 XNI  plan-3  C13   0.020
 XNI  plan-3  N7    0.020
 XNI  plan-3  H12   0.020
 XNI  plan-3  H15   0.020
 XNI  plan-3  H14   0.020
 XNI  plan-3  H13   0.020
 XNI  plan-4  N10   0.020
 XNI  plan-4  C11   0.020
 XNI  plan-4  C17   0.020
 XNI  plan-4  C19   0.020
 XNI  plan-4  O18   0.020
 XNI  plan-4  C9    0.020
 XNI  plan-5  C1    0.020
 XNI  plan-5  C5    0.020
 XNI  plan-5  C6    0.020
 XNI  plan-5  O33   0.020
 XNI  plan-6  C4    0.020
 XNI  plan-6  C8    0.020
 XNI  plan-6  N7    0.020
 XNI  plan-6  HN7   0.020

