# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 26 17:35:01 2020
#   Inital geometry file: a 149 line input string
#   Ligand name: N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCC(CC1)(CNC(=O)c2cccc(c2)c3noc(n3)C(F)(F)F)c4scc(n4)c5ccccc5
#
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
 NU7  NU7  N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide  ligand  61  37  .  2022-03-23  2022-03-23
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_NU7
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
 NU7  C1    C  CH3   0  -0.528   5.9048  -3.9681   1.6128
 NU7  N2    N  NT    0  -0.391   4.7694  -4.0153   0.7152
 NU7  F01   F  F     0  -0.296  -8.5322  -0.5840  -0.4193
 NU7  F03   F  F     0  -0.283  -8.0704   0.3925   1.4474
 NU7  F04   F  F     0  -0.296  -8.4163  -1.7366   1.3937
 NU7  C05   C  CR5   0   0.279  -6.4220  -0.9294   0.5023
 NU7  N06   N  N     0  -0.430  -5.4566  -0.1651   0.8475
 NU7  C07   C  CR5   0   0.350  -4.3700  -0.8537   0.3768
 NU7  N08   N  N     0  -0.127  -4.6871  -1.9677  -0.2156
 NU7  O09   O  O     0  -0.312  -6.0460  -2.0199  -0.1331
 NU7  C10   C  CR6   0   0.018  -2.9973  -0.3790   0.5284
 NU7  C11   C  CR16  0  -0.281  -2.7566   0.8362   1.1649
 NU7  C12   C  CR16  0  -0.224  -1.4555   1.2872   1.3154
 NU7  C13   C  CR16  0  -0.295  -0.3966   0.5409   0.8231
 NU7  C14   C  CR6   0   0.001  -0.6296  -0.6719   0.1745
 NU7  C15   C  CR16  0  -0.309  -1.9320  -1.1330   0.0447
 NU7  C16   C  C     0   0.530   0.4761  -1.5276  -0.3689
 NU7  O17   O  O     0  -0.486   0.3274  -2.7353  -0.5015
 NU7  N18   N  NH1   0  -0.662   1.5910  -0.8648  -0.7014
 NU7  C19   C  CH2   0  -0.285   2.8168  -1.4677  -1.1558
 NU7  C20   C  CT    0  -0.203   4.0042  -1.2779  -0.1859
 NU7  C21   C  CH2   0  -0.447   5.2181  -2.0389  -0.7521
 NU7  C22   C  CH2   0  -0.329   5.0639  -3.5567  -0.6287
 NU7  C24   C  CH2   0  -0.330   3.5899  -3.3494   1.2371
 NU7  C25   C  CH2   0  -0.423   3.6855  -1.8230   1.2220
 NU7  C26   C  CR5   0   0.144   4.3089   0.1963  -0.0691
 NU7  N27   N  N     0  -0.464   3.4423   1.1434  -0.2296
 NU7  C28   C  CR5   0   0.402   3.9559   2.3899   0.0106
 NU7  C29   C  CR15  0  -0.599   5.2716   2.3846   0.3672
 NU7  S30   S  S2    0   0.245   5.8706   0.7845   0.3977
 NU7  C31   C  CR6   0   0.060   3.0908   3.5675  -0.1349
 NU7  C32   C  CR16  0  -0.326   3.4853   4.8170   0.3477
 NU7  C33   C  CR16  0  -0.235   2.6648   5.9239   0.1996
 NU7  C34   C  CR16  0  -0.266   1.4310   5.8037  -0.4284
 NU7  C35   C  CR16  0  -0.234   1.0269   4.5650  -0.9068
 NU7  C36   C  CR16  0  -0.305   1.8488   3.4571  -0.7620
 NU7  H1    H  HCH3  0   0.196   6.2887  -2.9644   1.8424
 NU7  H1A   H  HCH3  0   0.234   5.6360  -4.4345   2.5622
 NU7  H1B   H  HCH3  0   0.234   6.7306  -4.5404   1.1875
 NU7  H11   H  HCR6  0   0.274  -3.5803   1.4245   1.5461
 NU7  H12   H  HCR6  0   0.276  -1.2643   2.2218   1.8243
 NU7  H13   H  HCR6  0   0.258   0.6102   0.9081   0.9811
 NU7  H15   H  HCR6  0   0.268  -2.1154  -2.0810  -0.4435
 NU7  HN18  H  HNH1  0   0.429   1.6418   0.1372  -0.5941
 NU7  H19   H  HCH2  0   0.267   2.6322  -2.5265  -1.3191
 NU7  H19A  H  HCH2  0   0.265   3.0898  -1.0415  -2.1247
 NU7  H21   H  HCH2  0   0.257   5.3756  -1.7662  -1.7994
 NU7  H21A  H  HCH2  0   0.244   6.1262  -1.7392  -0.2203
 NU7  H22   H  HCH2  0   0.249   5.9807  -4.0387  -0.9752
 NU7  H22A  H  HCH2  0   0.238   4.2684  -3.9087  -1.2931
 NU7  H24   H  HCH2  0   0.238   2.7201  -3.6756   0.6584
 NU7  H24A  H  HCH2  0   0.245   3.4174  -3.6870   2.2618
 NU7  H25   H  HCH2  0   0.243   4.4737  -1.5030   1.9102
 NU7  H25A  H  HCH2  0   0.248   2.7584  -1.3830   1.5972
 NU7  H29   H  HCR5  0   0.307   5.9156   3.2212   0.5880
 NU7  H32   H  HCR6  0   0.252   4.4358   4.9307   0.8538
 NU7  H33   H  HCR6  0   0.261   2.9889   6.8833   0.5810
 NU7  H34   H  HCR6  0   0.259   0.7910   6.6686  -0.5428
 NU7  H35   H  HCR6  0   0.259   0.0690   4.4579  -1.3992
 NU7  H36   H  HCR6  0   0.255   1.5232   2.5010  -1.1489
 NU7  C02   C  CT    0   1.079  -7.8889  -0.7082   0.7378

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
 NU7  C1   N2    single    1.448  0.020  1.448
 NU7  N2   C22   single    1.450  0.020  1.450
 NU7  N2   C24   single    1.452  0.020  1.452
 NU7  F01  C02   single    1.330  0.020  1.330
 NU7  C02  F03   single    1.322  0.020  1.322
 NU7  C02  F04   single    1.329  0.020  1.329
 NU7  C02  C05   single    1.502  0.020  1.502
 NU7  C05  N06   aromatic  1.279  0.020  1.279
 NU7  C05  O09   aromatic  1.317  0.020  1.317
 NU7  N06  C07   aromatic  1.370  0.020  1.370
 NU7  C07  N08   aromatic  1.301  0.020  1.301
 NU7  C07  C10   single    1.460  0.020  1.460
 NU7  N08  O09   aromatic  1.362  0.020  1.362
 NU7  C10  C11   aromatic  1.393  0.020  1.393
 NU7  C10  C15   aromatic  1.392  0.020  1.392
 NU7  C11  C12   aromatic  1.385  0.020  1.385
 NU7  C12  C13   aromatic  1.386  0.020  1.386
 NU7  C13  C14   aromatic  1.395  0.020  1.395
 NU7  C14  C15   aromatic  1.388  0.020  1.388
 NU7  C14  C16   single    1.500  0.020  1.500
 NU7  C16  O17   double    1.224  0.020  1.224
 NU7  C16  N18   single    1.339  0.020  1.339
 NU7  N18  C19   single    1.440  0.020  1.440
 NU7  C19  C20   single    1.545  0.020  1.545
 NU7  C20  C21   single    1.541  0.020  1.541
 NU7  C20  C25   single    1.543  0.020  1.543
 NU7  C20  C26   single    1.510  0.020  1.510
 NU7  C21  C22   single    1.531  0.020  1.531
 NU7  C24  C25   single    1.530  0.020  1.530
 NU7  C26  N27   aromatic  1.294  0.020  1.294
 NU7  C26  S30   aromatic  1.733  0.020  1.733
 NU7  N27  C28   aromatic  1.369  0.020  1.369
 NU7  C28  C29   aromatic  1.363  0.020  1.363
 NU7  C28  C31   single    1.468  0.020  1.468
 NU7  C29  S30   aromatic  1.709  0.020  1.709
 NU7  C31  C32   aromatic  1.396  0.020  1.396
 NU7  C31  C36   aromatic  1.396  0.020  1.396
 NU7  C32  C33   aromatic  1.386  0.020  1.386
 NU7  C33  C34   aromatic  1.390  0.020  1.390
 NU7  C34  C35   aromatic  1.388  0.020  1.388
 NU7  C35  C36   aromatic  1.387  0.020  1.387
 NU7  C1   H1    single    0.970  0.020  1.090
 NU7  C1   H1A   single    0.970  0.020  1.090
 NU7  C1   H1B   single    0.970  0.020  1.090
 NU7  C11  H11   single    0.930  0.020  1.080
 NU7  C12  H12   single    0.930  0.020  1.080
 NU7  C13  H13   single    0.930  0.020  1.080
 NU7  C15  H15   single    0.930  0.020  1.080
 NU7  N18  HN18  single    0.860  0.020  1.020
 NU7  C19  H19   single    0.970  0.020  1.090
 NU7  C19  H19A  single    0.970  0.020  1.090
 NU7  C21  H21   single    0.970  0.020  1.090
 NU7  C21  H21A  single    0.970  0.020  1.090
 NU7  C22  H22   single    0.970  0.020  1.090
 NU7  C22  H22A  single    0.970  0.020  1.090
 NU7  C24  H24   single    0.970  0.020  1.090
 NU7  C24  H24A  single    0.970  0.020  1.090
 NU7  C25  H25   single    0.970  0.020  1.090
 NU7  C25  H25A  single    0.970  0.020  1.090
 NU7  C29  H29   single    0.930  0.020  1.080
 NU7  C32  H32   single    0.930  0.020  1.080
 NU7  C33  H33   single    0.930  0.020  1.080
 NU7  C34  H34   single    0.930  0.020  1.080
 NU7  C35  H35   single    0.930  0.020  1.080
 NU7  C36  H36   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
 NU7  H1B   C1   H1A  107.54  3.000
 NU7  H1B   C1   H1   107.22  3.000
 NU7  H1A   C1   H1   107.14  3.000
 NU7  H1B   C1   N2   109.55  3.000
 NU7  H1A   C1   N2   109.40  3.000
 NU7  H1    C1   N2   115.67  3.000
 NU7  C24   N2   C22  110.68  3.000
 NU7  C24   N2   C1   113.53  3.000
 NU7  C22   N2   C1   113.88  3.000
 NU7  O09   C05  N06  114.18  3.000
 NU7  O09   C05  C02  118.45  3.000
 NU7  N06   C05  C02  127.37  3.000
 NU7  C07   N06  C05  101.87  3.000
 NU7  C10   C07  N08  123.69  3.000
 NU7  C10   C07  N06  123.13  3.000
 NU7  N08   C07  N06  113.17  3.000
 NU7  O09   N08  C07  104.38  3.000
 NU7  N08   O09  C05  106.39  3.000
 NU7  C15   C10  C11  119.95  3.000
 NU7  C15   C10  C07  120.48  3.000
 NU7  C11   C10  C07  119.57  3.000
 NU7  H11   C11  C12  120.00  3.000
 NU7  H11   C11  C10  120.26  3.000
 NU7  C12   C11  C10  119.74  3.000
 NU7  H12   C12  C13  119.83  3.000
 NU7  H12   C12  C11  119.92  3.000
 NU7  C13   C12  C11  120.25  3.000
 NU7  H13   C13  C14  121.18  3.000
 NU7  H13   C13  C12  118.42  3.000
 NU7  C14   C13  C12  120.38  3.000
 NU7  C16   C14  C15  117.93  3.000
 NU7  C16   C14  C13  122.78  3.000
 NU7  C15   C14  C13  119.28  3.000
 NU7  H15   C15  C14  119.50  3.000
 NU7  H15   C15  C10  120.12  3.000
 NU7  C14   C15  C10  120.38  3.000
 NU7  N18   C16  O17  124.24  3.000
 NU7  N18   C16  C14  114.92  3.000
 NU7  O17   C16  C14  120.83  3.000
 NU7  HN18  N18  C19  113.99  3.000
 NU7  HN18  N18  C16  120.47  3.000
 NU7  C19   N18  C16  125.46  3.000
 NU7  H19A  C19  H19  106.80  3.000
 NU7  H19A  C19  C20  108.46  3.000
 NU7  H19   C19  C20  110.15  3.000
 NU7  H19A  C19  N18  109.22  3.000
 NU7  H19   C19  N18  108.10  3.000
 NU7  C20   C19  N18  113.88  3.000
 NU7  C26   C20  C25  108.42  3.000
 NU7  C26   C20  C21  110.59  3.000
 NU7  C25   C20  C21  108.88  3.000
 NU7  C26   C20  C19  108.88  3.000
 NU7  C25   C20  C19  111.76  3.000
 NU7  C21   C20  C19  108.31  3.000
 NU7  H21A  C21  H21  106.12  3.000
 NU7  H21A  C21  C22  108.42  3.000
 NU7  H21   C21  C22  109.81  3.000
 NU7  H21A  C21  C20  109.88  3.000
 NU7  H21   C21  C20  110.02  3.000
 NU7  C22   C21  C20  112.39  3.000
 NU7  H22A  C22  H22  106.00  3.000
 NU7  H22A  C22  C21  110.06  3.000
 NU7  H22   C22  C21  109.12  3.000
 NU7  H22A  C22  N2   108.25  3.000
 NU7  H22   C22  N2   108.96  3.000
 NU7  C21   C22  N2   114.13  3.000
 NU7  H24A  C24  H24  106.16  3.000
 NU7  H24A  C24  C25  109.12  3.000
 NU7  H24   C24  C25  109.99  3.000
 NU7  H24A  C24  N2   108.89  3.000
 NU7  H24   C24  N2   108.60  3.000
 NU7  C25   C24  N2   113.80  3.000
 NU7  H25A  C25  H25  106.11  3.000
 NU7  H25A  C25  C24  110.21  3.000
 NU7  H25   C25  C24  109.31  3.000
 NU7  H25A  C25  C20  110.27  3.000
 NU7  H25   C25  C20  108.77  3.000
 NU7  C24   C25  C20  111.99  3.000
 NU7  S30   C26  N27  112.87  3.000
 NU7  S30   C26  C20  122.28  3.000
 NU7  N27   C26  C20  124.75  3.000
 NU7  C28   N27  C26  113.16  3.000
 NU7  C31   C28  C29  126.71  3.000
 NU7  C31   C28  N27  119.45  3.000
 NU7  C29   C28  N27  113.85  3.000
 NU7  H29   C29  S30  120.88  3.000
 NU7  H29   C29  C28  128.81  3.000
 NU7  S30   C29  C28  110.29  3.000
 NU7  C29   S30  C26   89.83  3.000
 NU7  C36   C31  C32  118.52  3.000
 NU7  C36   C31  C28  120.35  3.000
 NU7  C32   C31  C28  121.12  3.000
 NU7  H32   C32  C33  119.07  3.000
 NU7  H32   C32  C31  120.23  3.000
 NU7  C33   C32  C31  120.70  3.000
 NU7  H33   C33  C34  120.12  3.000
 NU7  H33   C33  C32  119.55  3.000
 NU7  C34   C33  C32  120.33  3.000
 NU7  H34   C34  C35  120.32  3.000
 NU7  H34   C34  C33  120.25  3.000
 NU7  C35   C34  C33  119.43  3.000
 NU7  H35   C35  C36  119.53  3.000
 NU7  H35   C35  C34  120.18  3.000
 NU7  C36   C35  C34  120.29  3.000
 NU7  H36   C36  C35  119.36  3.000
 NU7  H36   C36  C31  119.91  3.000
 NU7  C35   C36  C31  120.73  3.000
 NU7  C05   C02  F04  110.55  3.000
 NU7  C05   C02  F03  109.92  3.000
 NU7  F04   C02  F03  108.95  3.000
 NU7  C05   C02  F01  110.48  3.000
 NU7  F04   C02  F01  108.05  3.000
 NU7  F03   C02  F01  108.83  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
 NU7  CONST_01  N08   C07  N06  C05     0.00   0.0  0
 NU7  CONST_02  C10   C07  N06  C05   180.00   0.0  0
 NU7  CONST_03  C07   N08  O09  C05     0.00   0.0  0
 NU7  CONST_04  N08   O09  C05  N06     0.00   0.0  0
 NU7  CONST_05  O09   N08  C07  N06     0.00   0.0  0
 NU7  CONST_06  C11   C10  C07  N06     0.00   0.0  0
 NU7  CONST_07  C15   C10  C07  N06   180.00   0.0  0
 NU7  CONST_08  O09   C05  N06  C07     0.00   0.0  0
 NU7  CONST_09  C12   C11  C10  C07   180.00   0.0  0
 NU7  CONST_10  C14   C15  C10  C07   180.00   0.0  0
 NU7  CONST_11  C11   C10  C07  N08   180.00   0.0  0
 NU7  CONST_12  C15   C10  C07  N08     0.00   0.0  0
 NU7  CONST_13  C10   C07  N08  O09   180.00   0.0  0
 NU7  CONST_14  C13   C12  C11  C10     0.00   0.0  0
 NU7  CONST_15  C13   C14  C15  C10     0.00   0.0  0
 NU7  CONST_16  C14   C15  C10  C11     0.00   0.0  0
 NU7  CONST_17  C14   C13  C12  C11     0.00   0.0  0
 NU7  CONST_18  C15   C10  C11  C12     0.00   0.0  0
 NU7  CONST_19  C15   C14  C13  C12     0.00   0.0  0
 NU7  CONST_20  C29   C28  N27  C26     0.00   0.0  0
 NU7  CONST_21  C31   C28  N27  C26   180.00   0.0  0
 NU7  CONST_22  C28   C29  S30  C26     0.00   0.0  0
 NU7  CONST_23  C29   S30  C26  N27     0.00   0.0  0
 NU7  CONST_24  S30   C29  C28  N27     0.00   0.0  0
 NU7  CONST_25  C32   C31  C28  N27   180.00   0.0  0
 NU7  CONST_26  C36   C31  C28  N27     0.00   0.0  0
 NU7  CONST_27  S30   C26  N27  C28     0.00   0.0  0
 NU7  CONST_28  C33   C32  C31  C28   180.00   0.0  0
 NU7  CONST_29  C35   C36  C31  C28   180.00   0.0  0
 NU7  CONST_30  C32   C31  C28  C29     0.00   0.0  0
 NU7  CONST_31  C36   C31  C28  C29   180.00   0.0  0
 NU7  CONST_32  C31   C28  C29  S30   180.00   0.0  0
 NU7  CONST_33  C34   C33  C32  C31     0.00   0.0  0
 NU7  CONST_34  C34   C35  C36  C31     0.00   0.0  0
 NU7  CONST_35  C35   C36  C31  C32     0.00   0.0  0
 NU7  CONST_36  C35   C34  C33  C32     0.00   0.0  0
 NU7  CONST_37  C36   C31  C32  C33     0.00   0.0  0
 NU7  CONST_38  C36   C35  C34  C33     0.00   0.0  0
 NU7  CONST_39  C28   N27  C26  C20   180.00   0.0  0
 NU7  CONST_40  C29   S30  C26  C20   180.00   0.0  0
 NU7  CONST_41  C07   N06  C05  C02   180.00   0.0  0
 NU7  CONST_42  N08   O09  C05  C02   180.00   0.0  0
 NU7  CONST_43  C16   C14  C15  C10   180.00   0.0  0
 NU7  CONST_44  C16   C14  C13  C12   180.00   0.0  0
 NU7  CONST_45  H11   C11  C10  C07     0.00   0.0  0
 NU7  CONST_46  H15   C15  C10  C07     0.00   0.0  0
 NU7  CONST_47  H12   C12  C11  C10   180.00   0.0  0
 NU7  CONST_48  H13   C13  C12  C11   180.00   0.0  0
 NU7  CONST_49  H29   C29  S30  C26   180.00   0.0  0
 NU7  CONST_50  H32   C32  C31  C28     0.00   0.0  0
 NU7  CONST_51  H36   C36  C31  C28     0.00   0.0  0
 NU7  CONST_52  H33   C33  C32  C31   180.00   0.0  0
 NU7  CONST_53  H35   C35  C36  C31   180.00   0.0  0
 NU7  CONST_54  H34   C34  C33  C32   180.00   0.0  0
 NU7  CONST_55  C19   N18  C16  C14   180.00   0.0  0
 NU7  CONST_56  HN18  N18  C16  C14     0.00   0.0  0
 NU7  CONST_57  C19   N18  C16  O17     0.00   0.0  0
 NU7  Var_01    C20   C21  C22  N2    -53.66  30.0  1
 NU7  Var_02    C20   C25  C24  N2     55.14  30.0  1
 NU7  Var_03    C24   N2   C22  C21    55.11  30.0  1
 NU7  Var_04    C25   C24  N2   C22   -55.90  30.0  1
 NU7  Var_05    N06   C05  C02  F01   116.48  30.0  2
 NU7  Var_06    O17   C16  C14  C13   154.39  30.0  2
 NU7  Var_07    H1    C1   N2   C22    65.51  30.0  3
 NU7  Var_08    C20   C19  N18  C16  -114.60  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
 NU7  chir_01  C20  C21  C25  C26  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
 NU7  plan-1  C05   0.020
 NU7  plan-1  N06   0.020
 NU7  plan-1  C07   0.020
 NU7  plan-1  N08   0.020
 NU7  plan-1  O09   0.020
 NU7  plan-1  C10   0.020
 NU7  plan-1  C02   0.020
 NU7  plan-2  C20   0.020
 NU7  plan-2  C26   0.020
 NU7  plan-2  N27   0.020
 NU7  plan-2  C28   0.020
 NU7  plan-2  C29   0.020
 NU7  plan-2  S30   0.020
 NU7  plan-2  C31   0.020
 NU7  plan-2  H29   0.020
 NU7  plan-3  C07   0.020
 NU7  plan-3  C10   0.020
 NU7  plan-3  C11   0.020
 NU7  plan-3  C12   0.020
 NU7  plan-3  C13   0.020
 NU7  plan-3  C14   0.020
 NU7  plan-3  C15   0.020
 NU7  plan-3  C16   0.020
 NU7  plan-3  H11   0.020
 NU7  plan-3  H12   0.020
 NU7  plan-3  H13   0.020
 NU7  plan-3  H15   0.020
 NU7  plan-4  C28   0.020
 NU7  plan-4  C31   0.020
 NU7  plan-4  C32   0.020
 NU7  plan-4  C33   0.020
 NU7  plan-4  C34   0.020
 NU7  plan-4  C35   0.020
 NU7  plan-4  C36   0.020
 NU7  plan-4  H32   0.020
 NU7  plan-4  H33   0.020
 NU7  plan-4  H34   0.020
 NU7  plan-4  H35   0.020
 NU7  plan-4  H36   0.020
 NU7  plan-5  C14   0.020
 NU7  plan-5  C16   0.020
 NU7  plan-5  O17   0.020
 NU7  plan-5  N18   0.020
 NU7  plan-5  C19   0.020
 NU7  plan-5  HN18  0.020

