# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Apr 25 05:03:16 2020
#   Inital geometry file: a 167 line input string
#   Ligand name: (8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCC1=C(c2ccccc2)[C@@]3(CC[C@H](O[S](N)(=O)=O)[C@@H]3C1)C(=C)c4ccccc4
#
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
 N1V  N1V  '(8beta,11alpha,12alpha)-8-(1-phenylethenyl)-1,6:7,14-dicycloprosta-1,3,5,7(14)-tetraen-11-yl sulfamate'  ligand  68  33  .  2021-08-15  2021-08-15  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_N1V
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
 N1V  C25   C  CR16  0  -0.323  -2.2251   2.5262   1.7824
 N1V  C24   C  CR16  0  -0.240  -2.2808   3.7118   2.5015
 N1V  C26   C  CR15  0   0.071   0.0447  -2.2173   1.2795
 N1V  C23   C  CR16  0  -0.271  -1.1137   4.3748   2.8572
 N1V  C22   C  CR16  0  -0.241   0.1120   3.8339   2.4923
 N1V  C21   C  CR16  0  -0.325   0.1659   2.6475   1.7753
 N1V  C20   C  CR6   0   0.072  -0.9997   1.9776   1.3906
 N1V  C19   C  CR5   0   0.053  -0.9126   0.7249   0.6236
 N1V  C18   C  CH3   0  -0.662   6.9952   2.5929  -1.9759
 N1V  C17   C  CH2   0  -0.419   5.5209   2.8135  -2.2871
 N1V  C16   C  CH2   0  -0.407   4.6048   1.9011  -1.4807
 N1V  C11   C  CH2   0  -0.462  -0.2836  -0.9013  -0.9442
 N1V  C12   C  CR5   0   0.126  -0.1431   0.5093  -0.4518
 N1V  C13   C  CH2   0  -0.530   0.7333   1.4713  -1.1815
 N1V  C14   C  CH2   0  -0.423   2.2239   1.1997  -0.9547
 N1V  C10   C  C     0  -0.294  -0.9335  -1.6265   0.2299
 N1V  C03   C  CR6   0   0.047  -3.4466  -0.2907  -0.8497
 N1V  C04   C  CR16  0  -0.277  -3.2478   0.9143  -1.5238
 N1V  C05   C  CR16  0  -0.242  -3.5070   1.0144  -2.8835
 N1V  C06   C  CR16  0  -0.268  -3.9679  -0.0872  -3.5934
 N1V  C07   C  CR16  0  -0.244  -4.1810  -1.2878  -2.9304
 N1V  C08   C  CR16  0  -0.288  -3.9235  -1.3855  -1.5693
 N1V  C09   C  C     0  -0.194  -1.7036  -0.5222   1.0179
 N1V  C32   C  CH2   0  -0.471  -0.0293  -1.3375   2.5180
 N1V  C33   C  CH2   0  -0.463  -1.4745  -0.8682   2.4932
 N1V  N30   N  NC2   0  -0.896   1.0684  -4.2061  -0.7490
 N1V  O27   O  OC2   0  -0.581   1.4107  -2.2777   0.8196
 N1V  O29   O  OS    0  -0.659   1.9154  -4.6093   1.5426
 N1V  O31   O  OS    0  -0.638   3.3794  -3.3143  -0.0158
 N1V  S28   S  S     0   1.560   2.0594  -3.6774   0.4456
 N1V  H251  H  HCR6  0   0.261  -3.1485   2.0273   1.5219
 N1V  H241  H  HCR6  0   0.254  -3.2436   4.1192   2.7823
 N1V  H261  H  HCR5  0   0.267  -0.2935  -3.2227   1.5396
 N1V  H231  H  HCR6  0   0.254  -1.1589   5.2990   3.4187
 N1V  H221  H  HCR6  0   0.254   1.0320   4.3309   2.7724
 N1V  H211  H  HCR6  0   0.256   1.1302   2.2239   1.5261
 N1V  H183  H  HCH3  0   0.216   7.2949   1.5650  -2.1887
 N1V  H181  H  HCH3  0   0.226   7.6339   3.2516  -2.5654
 N1V  H182  H  HCH3  0   0.216   7.2074   2.7850  -0.9225
 N1V  H172  H  HCH2  0   0.210   5.2581   3.8572  -2.0881
 N1V  H171  H  HCH2  0   0.210   5.3432   2.6538  -3.3552
 N1V  H162  H  HCH2  0   0.207   4.8621   0.8563  -1.6875
 N1V  H161  H  HCH2  0   0.207   4.7930   2.0539  -0.4120
 N1V  H151  H  HCH2  0   0.210   2.8662   3.1656  -1.5448
 N1V  H152  H  HCH2  0   0.211   2.9288   1.9779  -2.8319
 N1V  H111  H  HCH2  0   0.258  -0.9332  -0.9263  -1.8257
 N1V  H112  H  HCH2  0   0.236   0.6667  -1.3351  -1.2585
 N1V  H131  H  HCH2  0   0.238   0.5211   1.3852  -2.2537
 N1V  H132  H  HCH2  0   0.236   0.5010   2.5005  -0.8983
 N1V  H142  H  HCH2  0   0.222   2.4524   0.1592  -1.2032
 N1V  H141  H  HCH2  0   0.223   2.4535   1.3111   0.1098
 N1V  H101  H  H     0   0.258  -1.5951  -2.4228  -0.1133
 N1V  H012  H  H     0   0.243  -5.2025  -0.4806   1.1164
 N1V  H011  H  H     0   0.245  -4.0328  -0.6556   2.5245
 N1V  H041  H  HCR6  0   0.250  -2.8935   1.7857  -0.9894
 N1V  H051  H  HCR6  0   0.253  -3.3500   1.9586  -3.3893
 N1V  H061  H  HCR6  0   0.253  -4.1638  -0.0074  -4.6550
 N1V  H071  H  HCR6  0   0.253  -4.5467  -2.1516  -3.4707
 N1V  H081  H  HCR6  0   0.248  -4.0867  -2.3264  -1.0577
 N1V  H322  H  HCH2  0   0.253   0.2347  -1.8791   3.4267
 N1V  H321  H  HCH2  0   0.246   0.6504  -0.4871   2.4210
 N1V  H331  H  HCH2  0   0.252  -1.6619  -0.0315   3.1672
 N1V  H332  H  HCH2  0   0.241  -2.1307  -1.6879   2.7985
 N1V  H301  H  HNC2  0   0.430   1.0317  -5.2178  -0.8042
 N1V  H302  H  HNC2  0   0.423   1.2656  -3.7978  -1.6558
 N1V  C02   C  C     0   0.166  -3.1613  -0.4371   0.6034
 N1V  C15   C  CH2   0  -0.414   3.1242   2.1237  -1.7639
 N1V  C01   C  C2    0  -0.580  -4.1768  -0.5341   1.4591

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
 N1V  C23  C24   aromatic  1.389  0.020  1.389
 N1V  C23  C22   aromatic  1.388  0.020  1.388
 N1V  C24  C25   aromatic  1.388  0.020  1.388
 N1V  C22  C21   aromatic  1.387  0.020  1.387
 N1V  C25  C20   aromatic  1.399  0.020  1.399
 N1V  C21  C20   aromatic  1.398  0.020  1.398
 N1V  C20  C19   single    1.471  0.020  1.471
 N1V  C01  C02   double    1.331  0.020  1.331
 N1V  C19  C09   single    1.529  0.020  1.529
 N1V  C19  C12   double    1.340  0.020  1.340
 N1V  C02  C09   single    1.518  0.020  1.518
 N1V  C02  C03   single    1.488  0.020  1.488
 N1V  C13  C12   single    1.492  0.020  1.492
 N1V  C13  C14   single    1.532  0.020  1.532
 N1V  C33  C09   single    1.532  0.020  1.532
 N1V  C33  C32   single    1.520  0.020  1.520
 N1V  C08  C03   aromatic  1.394  0.020  1.394
 N1V  C08  C07   aromatic  1.389  0.020  1.389
 N1V  C09  C10   single    1.560  0.020  1.560
 N1V  C15  C16   single    1.524  0.020  1.524
 N1V  C15  C14   single    1.523  0.020  1.523
 N1V  C12  C11   single    1.501  0.020  1.501
 N1V  C03  C04   aromatic  1.395  0.020  1.395
 N1V  C17  C16   single    1.524  0.020  1.524
 N1V  C17  C18   single    1.523  0.020  1.523
 N1V  C07  C06   aromatic  1.388  0.020  1.388
 N1V  C04  C05   aromatic  1.388  0.020  1.388
 N1V  C32  C26   single    1.521  0.020  1.521
 N1V  C06  C05   aromatic  1.389  0.020  1.389
 N1V  C10  C11   single    1.525  0.020  1.525
 N1V  C10  C26   single    1.552  0.020  1.552
 N1V  C26  O27   single    1.443  0.020  1.443
 N1V  O27  S28   single    1.587  0.020  1.587
 N1V  S28  O31   deloc     1.445  0.020  1.445
 N1V  S28  N30   single    1.640  0.020  1.640
 N1V  S28  O29   deloc     1.447  0.020  1.447
 N1V  C25  H251  single    0.930  0.020  1.080
 N1V  C24  H241  single    0.930  0.020  1.080
 N1V  C26  H261  single    0.970  0.020  1.090
 N1V  C23  H231  single    0.930  0.020  1.080
 N1V  C22  H221  single    0.930  0.020  1.080
 N1V  C21  H211  single    0.930  0.020  1.080
 N1V  C18  H183  single    0.970  0.020  1.090
 N1V  C18  H181  single    0.970  0.020  1.090
 N1V  C18  H182  single    0.970  0.020  1.090
 N1V  C17  H172  single    0.970  0.020  1.090
 N1V  C17  H171  single    0.970  0.020  1.090
 N1V  C16  H162  single    0.970  0.020  1.090
 N1V  C16  H161  single    0.970  0.020  1.090
 N1V  C15  H151  single    0.970  0.020  1.090
 N1V  C15  H152  single    0.970  0.020  1.090
 N1V  C11  H111  single    0.970  0.020  1.090
 N1V  C11  H112  single    0.970  0.020  1.090
 N1V  C13  H131  single    0.970  0.020  1.090
 N1V  C13  H132  single    0.970  0.020  1.090
 N1V  C14  H142  single    0.970  0.020  1.090
 N1V  C14  H141  single    0.970  0.020  1.090
 N1V  C10  H101  single    0.970  0.020  1.090
 N1V  C01  H012  single    0.930  0.020  1.080
 N1V  C01  H011  single    0.930  0.020  1.080
 N1V  C04  H041  single    0.930  0.020  1.080
 N1V  C05  H051  single    0.930  0.020  1.080
 N1V  C06  H061  single    0.930  0.020  1.080
 N1V  C07  H071  single    0.930  0.020  1.080
 N1V  C08  H081  single    0.930  0.020  1.080
 N1V  C32  H322  single    0.970  0.020  1.090
 N1V  C32  H321  single    0.970  0.020  1.090
 N1V  C33  H331  single    0.970  0.020  1.090
 N1V  C33  H332  single    0.970  0.020  1.090
 N1V  N30  H301  single    0.890  0.020  1.040
 N1V  N30  H302  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
 N1V  H251  C25  C20   119.97  3.000
 N1V  H251  C25  C24   118.99  3.000
 N1V  C20   C25  C24   121.03  3.000
 N1V  H241  C24  C23   120.10  3.000
 N1V  H241  C24  C25   119.45  3.000
 N1V  C23   C24  C25   120.46  3.000
 N1V  H261  C26  O27   109.31  3.000
 N1V  H261  C26  C32   108.88  3.000
 N1V  O27   C26  C32   109.26  3.000
 N1V  H261  C26  C10   108.44  3.000
 N1V  O27   C26  C10   113.40  3.000
 N1V  C32   C26  C10   107.45  3.000
 N1V  H231  C23  C22   120.39  3.000
 N1V  H231  C23  C24   120.36  3.000
 N1V  C22   C23  C24   119.25  3.000
 N1V  H221  C22  C21   119.56  3.000
 N1V  H221  C22  C23   120.22  3.000
 N1V  C21   C22  C23   120.22  3.000
 N1V  H211  C21  C20   119.46  3.000
 N1V  H211  C21  C22   119.23  3.000
 N1V  C20   C21  C22   121.30  3.000
 N1V  C19   C20  C21   120.12  3.000
 N1V  C19   C20  C25   122.14  3.000
 N1V  C21   C20  C25   117.73  3.000
 N1V  C09   C19  C12   111.90  3.000
 N1V  C12   C19  C20   126.12  3.000
 N1V  C09   C19  C20   121.97  3.000
 N1V  H182  C18  H181  107.55  3.000
 N1V  H182  C18  H183  107.48  3.000
 N1V  H181  C18  H183  107.61  3.000
 N1V  H182  C18  C17   111.10  3.000
 N1V  H181  C18  C17   111.65  3.000
 N1V  H183  C18  C17   111.25  3.000
 N1V  H171  C17  H172  106.12  3.000
 N1V  H171  C17  C16   109.36  3.000
 N1V  H172  C17  C16   109.29  3.000
 N1V  H171  C17  C18   109.61  3.000
 N1V  H172  C17  C18   109.48  3.000
 N1V  C16   C17  C18   112.77  3.000
 N1V  H161  C16  H162  106.06  3.000
 N1V  H161  C16  C15   109.14  3.000
 N1V  H162  C16  C15   109.41  3.000
 N1V  H161  C16  C17   109.23  3.000
 N1V  H162  C16  C17   109.26  3.000
 N1V  C15   C16  C17   113.47  3.000
 N1V  H112  C11  H111  106.00  3.000
 N1V  H112  C11  C10   113.82  3.000
 N1V  H111  C11  C10   110.85  3.000
 N1V  H112  C11  C12   112.76  3.000
 N1V  H111  C11  C12   109.94  3.000
 N1V  C10   C11  C12   103.54  3.000
 N1V  C13   C12  C11   120.04  3.000
 N1V  C11   C12  C19   111.15  3.000
 N1V  C13   C12  C19   128.77  3.000
 N1V  H132  C13  H131  106.64  3.000
 N1V  H132  C13  C14   109.61  3.000
 N1V  H131  C13  C14   108.62  3.000
 N1V  H132  C13  C12   110.84  3.000
 N1V  H131  C13  C12   108.29  3.000
 N1V  C14   C13  C12   112.63  3.000
 N1V  H141  C14  H142  105.90  3.000
 N1V  H141  C14  C13   109.27  3.000
 N1V  H142  C14  C13   109.77  3.000
 N1V  H141  C14  C15   109.33  3.000
 N1V  H142  C14  C15   109.45  3.000
 N1V  C13   C14  C15   112.89  3.000
 N1V  H101  C10  C09   112.10  3.000
 N1V  H101  C10  C11   111.30  3.000
 N1V  C09   C10  C11   105.23  3.000
 N1V  H101  C10  C26   108.50  3.000
 N1V  C11   C10  C26   115.66  3.000
 N1V  C09   C10  C26   103.83  3.000
 N1V  C08   C03  C04   118.53  3.000
 N1V  C04   C03  C02   121.97  3.000
 N1V  C08   C03  C02   119.50  3.000
 N1V  H041  C04  C05   119.15  3.000
 N1V  H041  C04  C03   120.25  3.000
 N1V  C05   C04  C03   120.61  3.000
 N1V  H051  C05  C06   120.07  3.000
 N1V  H051  C05  C04   119.58  3.000
 N1V  C06   C05  C04   120.36  3.000
 N1V  H061  C06  C07   120.29  3.000
 N1V  H061  C06  C05   120.18  3.000
 N1V  C07   C06  C05   119.52  3.000
 N1V  H071  C07  C08   119.72  3.000
 N1V  H071  C07  C06   120.25  3.000
 N1V  C08   C07  C06   120.04  3.000
 N1V  H081  C08  C07   119.74  3.000
 N1V  H081  C08  C03   119.32  3.000
 N1V  C07   C08  C03   120.94  3.000
 N1V  C33   C09  C02   114.78  3.000
 N1V  C33   C09  C10   104.64  3.000
 N1V  C02   C09  C10   112.08  3.000
 N1V  C10   C09  C19   101.05  3.000
 N1V  C33   C09  C19   110.80  3.000
 N1V  C02   C09  C19   112.38  3.000
 N1V  H321  C32  H322  108.05  3.000
 N1V  H321  C32  C33   110.47  3.000
 N1V  H322  C32  C33   113.41  3.000
 N1V  H321  C32  C26   110.34  3.000
 N1V  H322  C32  C26   112.30  3.000
 N1V  C33   C32  C26   102.22  3.000
 N1V  H332  C33  H331  107.42  3.000
 N1V  H332  C33  C32   109.55  3.000
 N1V  H331  C33  C32   112.97  3.000
 N1V  H332  C33  C09   110.38  3.000
 N1V  H331  C33  C09   113.33  3.000
 N1V  C32   C33  C09   103.15  3.000
 N1V  H302  N30  H301  111.12  3.000
 N1V  H302  N30  S28   113.84  3.000
 N1V  H301  N30  S28   112.54  3.000
 N1V  S28   O27  C26   119.93  3.000
 N1V  O31   S28  O29   119.68  3.000
 N1V  O29   S28  O27   110.41  3.000
 N1V  O31   S28  O27   103.12  3.000
 N1V  O29   S28  N30   106.53  3.000
 N1V  O31   S28  N30   113.61  3.000
 N1V  O27   S28  N30   102.06  3.000
 N1V  C09   C02  C03   117.15  3.000
 N1V  C03   C02  C01   119.24  3.000
 N1V  C09   C02  C01   123.56  3.000
 N1V  H152  C15  H151  106.23  3.000
 N1V  H152  C15  C14   109.38  3.000
 N1V  H151  C15  C14   109.36  3.000
 N1V  H152  C15  C16   109.58  3.000
 N1V  H151  C15  C16   109.30  3.000
 N1V  C14   C15  C16   112.77  3.000
 N1V  H011  C01  H012  116.31  3.000
 N1V  H011  C01  C02   122.65  3.000
 N1V  H012  C01  C02   121.03  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
 N1V  CONST_01  C22   C23  C24  C25     0.00   0.0  0
 N1V  CONST_02  C22   C21  C20  C25     0.00   0.0  0
 N1V  CONST_03  C21   C22  C23  C24     0.00   0.0  0
 N1V  CONST_04  C21   C20  C25  C24     0.00   0.0  0
 N1V  CONST_05  C20   C25  C24  C23     0.00   0.0  0
 N1V  CONST_06  C20   C21  C22  C23     0.00   0.0  0
 N1V  CONST_07  C06   C07  C08  C03     0.00   0.0  0
 N1V  CONST_08  C06   C05  C04  C03     0.00   0.0  0
 N1V  CONST_09  C07   C08  C03  C04     0.00   0.0  0
 N1V  CONST_10  C07   C06  C05  C04     0.00   0.0  0
 N1V  CONST_11  C08   C03  C04  C05     0.00   0.0  0
 N1V  CONST_12  C08   C07  C06  C05     0.00   0.0  0
 N1V  CONST_13  C19   C20  C25  C24   180.00   0.0  0
 N1V  CONST_14  C19   C20  C21  C22   180.00   0.0  0
 N1V  CONST_15  C07   C08  C03  C02   180.00   0.0  0
 N1V  CONST_16  C05   C04  C03  C02   180.00   0.0  0
 N1V  CONST_17  H231  C23  C24  C25   180.00   0.0  0
 N1V  CONST_18  H211  C21  C20  C25   180.00   0.0  0
 N1V  CONST_19  H221  C22  C23  C24   180.00   0.0  0
 N1V  CONST_20  H251  C25  C24  C23   180.00   0.0  0
 N1V  CONST_21  H241  C24  C23  C22   180.00   0.0  0
 N1V  CONST_22  H071  C07  C08  C03   180.00   0.0  0
 N1V  CONST_23  H051  C05  C04  C03   180.00   0.0  0
 N1V  CONST_24  H081  C08  C03  C04   180.00   0.0  0
 N1V  CONST_25  H061  C06  C05  C04   180.00   0.0  0
 N1V  CONST_26  H041  C04  C05  C06   180.00   0.0  0
 N1V  Var_01    C09   C19  C20  C25   -47.29  30.0  2
 N1V  Var_02    C09   C33  C32  C26   -43.17  30.0  1
 N1V  Var_03    C11   C12  C19  C20   178.23  30.0  1
 N1V  Var_04    C10   C11  C12  C19   -16.23  30.0  1
 N1V  Var_05    C09   C02  C03  C04   -74.79  30.0  2
 N1V  Var_06    C14   C13  C12  C19   108.43  30.0  2
 N1V  Var_07    O31   S28  O27  C26   177.51  30.0  3
 N1V  Var_08    C12   C13  C14  C15   176.47  30.0  2
 N1V  Var_09    H012  C01  C02  C03    -1.70   0.0  2
 N1V  Var_10    C15   C16  C17  C18   179.10  30.0  3
 N1V  Var_11    C14   C15  C16  C17   179.73  30.0  1
 N1V  Var_12    C13   C14  C15  C16   176.95  30.0  3
 N1V  Var_13    H183  C18  C17  C16    59.53  30.0  3
 N1V  Var_14    H301  N30  S28  O27  -152.04  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
 N1V  chir_01  C26  C32  C10  O27  negativ
 N1V  chir_02  C10  C26  C11  C09  positiv
 N1V  chir_03  C09  C19  C33  C10  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
 N1V  plan-1  C25   0.020
 N1V  plan-1  C24   0.020
 N1V  plan-1  C23   0.020
 N1V  plan-1  C22   0.020
 N1V  plan-1  C21   0.020
 N1V  plan-1  C20   0.020
 N1V  plan-1  C19   0.020
 N1V  plan-1  H251  0.020
 N1V  plan-1  H241  0.020
 N1V  plan-1  H231  0.020
 N1V  plan-1  H221  0.020
 N1V  plan-1  H211  0.020
 N1V  plan-2  C03   0.020
 N1V  plan-2  C04   0.020
 N1V  plan-2  C05   0.020
 N1V  plan-2  C06   0.020
 N1V  plan-2  C07   0.020
 N1V  plan-2  C08   0.020
 N1V  plan-2  H041  0.020
 N1V  plan-2  H051  0.020
 N1V  plan-2  H061  0.020
 N1V  plan-2  H071  0.020
 N1V  plan-2  H081  0.020
 N1V  plan-2  C02   0.020
 N1V  plan-3  C03   0.020
 N1V  plan-3  C09   0.020
 N1V  plan-3  H012  0.020
 N1V  plan-3  H011  0.020
 N1V  plan-3  C02   0.020
 N1V  plan-3  C01   0.020

