# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Mar 19 13:44:31 2022
#   Inital geometry file: a 163 line input string
#   Ligand name: 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C
#
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
 NY3  NY3  '2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate'  ligand  65  35  .  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_NY3
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
 NY3  O3   O  O     0  -0.438   6.2062  -19.3918  -37.0204
 NY3  C9   C  CR6   0   0.528   5.1531  -19.0469  -36.5352
 NY3  O    O  O     0  -0.470   4.1004  -19.8812  -36.7349
 NY3  C8   C  CR66  0   0.402   2.8732  -19.6735  -36.2103
 NY3  C26  C  CR16  0  -0.464   1.9253  -20.6413  -36.4793
 NY3  C4   C  CR6   0   0.419   0.6219  -20.5206  -35.9682
 NY3  N    N  NT    0  -0.505  -0.3409  -21.4408  -36.2388
 NY3  C2   C  CH2   0  -0.332  -1.6416  -21.3759  -35.5931
 NY3  C3   C  CH3   0  -0.664  -1.6531  -21.8470  -34.1442
 NY3  C1   C  CH2   0  -0.333  -0.0419  -22.6218  -37.0294
 NY3  C    C  CH3   0  -0.665   0.6416  -23.7448  -36.2584
 NY3  C10  C  CR6   0  -0.215   4.9196  -17.8463  -35.7611
 NY3  C24  C  CR6   0   0.200   3.6915  -17.6038  -35.2176
 NY3  C25  C  CH3   0  -0.760   3.4655  -16.3753  -34.3886
 NY3  C7   C  CR66  0  -0.037   2.6209  -18.5398  -35.4338
 NY3  C6   C  CR16  0  -0.336   1.3169  -18.4338  -34.9247
 NY3  C5   C  CR16  0  -0.341   0.3534  -19.3783  -35.1698
 NY3  C11  C  CH2   0  -0.559   6.0886  -16.9168  -35.5948
 NY3  C12  C  CH2   0  -0.152   6.1108  -15.7705  -36.5908
 NY3  O1   O  O2    0  -0.471   6.1518  -16.3182  -37.9070
 NY3  C13  C  C     0   0.738   6.1418  -15.4526  -38.9221
 NY3  O2   O  O     0  -0.519   6.0771  -14.2473  -38.7813
 NY3  N1   N  NH1   0  -0.657   6.2273  -16.0655  -40.1195
 NY3  C14  C  CH2   0  -0.350   6.2026  -17.4915  -40.3813
 NY3  C15  C  CR6   0   0.113   7.0460  -17.8049  -41.5886
 NY3  C23  C  CR16  0  -0.295   8.4347  -17.7016  -41.5214
 NY3  C22  C  CR16  0  -0.224   9.2024  -17.9639  -42.6435
 NY3  C21  C  CR16  0  -0.325   8.6005  -18.3260  -43.8415
 NY3  C17  C  CR6   0   0.099   7.2124  -18.4243  -43.9307
 NY3  C16  C  CR16  0  -0.385   6.4501  -18.1567  -42.7886
 NY3  C18  C  CR5   0   0.304   6.5417  -18.7997  -45.1680
 NY3  N3   N  NR15  0  -0.629   7.1097  -18.7193  -46.4115
 NY3  C20  C  CR15  0   0.083   6.2067  -19.1549  -47.3097
 NY3  N2   N  N     0  -0.431   5.0899  -19.5208  -46.7320
 NY3  C19  C  CR15  0  -0.254   5.2847  -19.3046  -45.4017
 NY3  H1   H  HCR6  0   0.280   2.2275  -21.4861  -37.0813
 NY3  H2   H  HCH2  0   0.247  -2.0344  -20.3595  -35.6616
 NY3  H3   H  HCH2  0   0.258  -2.3226  -21.9915  -36.1799
 NY3  H4   H  HCH3  0   0.234  -2.6566  -21.7436  -33.7303
 NY3  H5   H  HCH3  0   0.234  -1.3658  -22.8950  -34.0638
 NY3  H6   H  HCH3  0   0.231  -0.9757  -21.2635  -33.5206
 NY3  H7   H  HCH2  0   0.248   0.5607  -22.3351  -37.8937
 NY3  H8   H  HCH2  0   0.259  -0.9839  -22.9856  -37.4403
 NY3  H9   H  HCH3  0   0.234   0.8670  -24.5728  -36.9312
 NY3  H10  H  HCH3  0   0.232   1.5784  -23.4183  -35.8065
 NY3  H11  H  HCH3  0   0.234   0.0002  -24.1266  -35.4648
 NY3  H12  H  HCH3  0   0.270   2.4515  -16.2895  -34.0130
 NY3  H13  H  HCH3  0   0.268   4.1325  -16.3686  -33.5250
 NY3  H14  H  HCH3  0   0.267   3.6748  -15.4714  -34.9597
 NY3  H15  H  HCR6  0   0.263   1.0402  -17.5882  -34.3110
 NY3  H16  H  HCR6  0   0.271  -0.6230  -19.2245  -34.7359
 NY3  H17  H  HCH2  0   0.267   7.0233  -17.4740  -35.6626
 NY3  H18  H  HCH2  0   0.264   6.0789  -16.4658  -34.6004
 NY3  H19  H  HCH2  0   0.241   6.9886  -15.1444  -36.4133
 NY3  H20  H  HCH2  0   0.232   5.2261  -15.1406  -36.4793
 NY3  H21  H  HNH1  0   0.400   6.1317  -15.4549  -40.9162
 NY3  H22  H  HCH2  0   0.251   5.1790  -17.8423  -40.5429
 NY3  H23  H  HCH2  0   0.271   6.5904  -18.0229  -39.5142
 NY3  H24  H  HCR6  0   0.255   8.9120  -17.4198  -40.5904
 NY3  H25  H  HCR6  0   0.258  10.2810  -17.8943  -42.5891
 NY3  H26  H  HCR6  0   0.251   9.2277  -18.5455  -44.6964
 NY3  H27  H  HCR6  0   0.251   5.3689  -18.2095  -42.8425
 NY3  H28  H  HNR5  0   0.422   8.0238  -18.3564  -46.6350
 NY3  H29  H  HCR5  0   0.279   6.4146  -19.1807  -48.3683
 NY3  H31  H  HCR5  0   0.257   4.5241  -19.5358  -44.6711

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
 NY3  C20  N2   aromatic  1.309  0.020  1.309
 NY3  C20  N3   aromatic  1.346  0.020  1.346
 NY3  N2   C19  aromatic  1.362  0.020  1.362
 NY3  N3   C18  aromatic  1.369  0.020  1.369
 NY3  C19  C18  aromatic  1.375  0.020  1.375
 NY3  C18  C17  single    1.457  0.020  1.457
 NY3  C21  C17  aromatic  1.394  0.020  1.394
 NY3  C21  C22  aromatic  1.389  0.020  1.389
 NY3  C17  C16  aromatic  1.399  0.020  1.399
 NY3  C22  C23  aromatic  1.385  0.020  1.385
 NY3  C16  C15  aromatic  1.385  0.020  1.385
 NY3  C23  C15  aromatic  1.394  0.020  1.394
 NY3  C15  C14  single    1.506  0.020  1.506
 NY3  C14  N1   single    1.450  0.020  1.450
 NY3  N1   C13  single    1.348  0.020  1.348
 NY3  C13  O2   double    1.215  0.020  1.215
 NY3  C13  O1   single    1.334  0.020  1.334
 NY3  O1   C12  single    1.426  0.020  1.426
 NY3  O3   C9   double    1.210  0.020  1.210
 NY3  C1   C    single    1.524  0.020  1.524
 NY3  C1   N    single    1.452  0.020  1.452
 NY3  O    C9   single    1.358  0.020  1.358
 NY3  O    C8   single    1.351  0.020  1.351
 NY3  C9   C10  single    1.447  0.020  1.447
 NY3  C26  C8   aromatic  1.381  0.020  1.381
 NY3  C26  C4   aromatic  1.405  0.020  1.405
 NY3  C12  C11  single    1.519  0.020  1.519
 NY3  C8   C7   aromatic  1.397  0.020  1.397
 NY3  N    C4   single    1.359  0.020  1.359
 NY3  N    C2   single    1.454  0.020  1.454
 NY3  C4   C5   aromatic  1.419  0.020  1.419
 NY3  C10  C11  single    1.503  0.020  1.503
 NY3  C10  C24  double    1.365  0.020  1.365
 NY3  C2   C3   single    1.524  0.020  1.524
 NY3  C7   C24  single    1.438  0.020  1.438
 NY3  C7   C6   aromatic  1.404  0.020  1.404
 NY3  C24  C25  single    1.499  0.020  1.499
 NY3  C5   C6   aromatic  1.371  0.020  1.371
 NY3  C26  H1   single    0.930  0.020  1.080
 NY3  C2   H2   single    0.970  0.020  1.090
 NY3  C2   H3   single    0.970  0.020  1.090
 NY3  C3   H4   single    0.970  0.020  1.090
 NY3  C3   H5   single    0.970  0.020  1.090
 NY3  C3   H6   single    0.970  0.020  1.090
 NY3  C1   H7   single    0.970  0.020  1.090
 NY3  C1   H8   single    0.970  0.020  1.090
 NY3  C    H9   single    0.970  0.020  1.090
 NY3  C    H10  single    0.970  0.020  1.090
 NY3  C    H11  single    0.970  0.020  1.090
 NY3  C25  H12  single    0.970  0.020  1.090
 NY3  C25  H13  single    0.970  0.020  1.090
 NY3  C25  H14  single    0.970  0.020  1.090
 NY3  C6   H15  single    0.930  0.020  1.080
 NY3  C5   H16  single    0.930  0.020  1.080
 NY3  C11  H17  single    0.970  0.020  1.090
 NY3  C11  H18  single    0.970  0.020  1.090
 NY3  C12  H19  single    0.970  0.020  1.090
 NY3  C12  H20  single    0.970  0.020  1.090
 NY3  N1   H21  single    0.860  0.020  1.020
 NY3  C14  H22  single    0.970  0.020  1.090
 NY3  C14  H23  single    0.970  0.020  1.090
 NY3  C23  H24  single    0.930  0.020  1.080
 NY3  C22  H25  single    0.930  0.020  1.080
 NY3  C21  H26  single    0.930  0.020  1.080
 NY3  C16  H27  single    0.930  0.020  1.080
 NY3  N3   H28  single    0.860  0.020  1.020
 NY3  C20  H29  single    0.930  0.020  1.080
 NY3  C19  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
 NY3  C10  C9   O    117.60  3.000
 NY3  C10  C9   O3   126.26  3.000
 NY3  O    C9   O3   116.14  3.000
 NY3  C8   O    C9   123.55  3.000
 NY3  C7   C8   C26  123.57  3.000
 NY3  C7   C8   O    120.32  3.000
 NY3  C26  C8   O    116.11  3.000
 NY3  H1   C26  C4   121.96  3.000
 NY3  H1   C26  C8   117.67  3.000
 NY3  C4   C26  C8   120.37  3.000
 NY3  C5   C4   N    121.53  3.000
 NY3  C5   C4   C26  116.69  3.000
 NY3  N    C4   C26  121.77  3.000
 NY3  C1   N    C2   117.54  3.000
 NY3  C2   N    C4   121.01  3.000
 NY3  C1   N    C4   120.88  3.000
 NY3  H3   C2   H2   105.51  3.000
 NY3  H3   C2   C3   109.43  3.000
 NY3  H2   C2   C3   110.16  3.000
 NY3  H3   C2   N    107.15  3.000
 NY3  H2   C2   N    109.61  3.000
 NY3  C3   C2   N    114.55  3.000
 NY3  H6   C3   H5   107.98  3.000
 NY3  H6   C3   H4   107.70  3.000
 NY3  H5   C3   H4   107.81  3.000
 NY3  H6   C3   C2   111.95  3.000
 NY3  H5   C3   C2   111.44  3.000
 NY3  H4   C3   C2   109.79  3.000
 NY3  H8   C1   H7   105.44  3.000
 NY3  H8   C1   C    109.41  3.000
 NY3  H7   C1   C    110.26  3.000
 NY3  H8   C1   N    107.38  3.000
 NY3  H7   C1   N    109.33  3.000
 NY3  C    C1   N    114.59  3.000
 NY3  H11  C    H10  107.99  3.000
 NY3  H11  C    H9   107.76  3.000
 NY3  H10  C    H9   107.79  3.000
 NY3  H11  C    C1   111.26  3.000
 NY3  H10  C    C1   111.99  3.000
 NY3  H9   C    C1   109.88  3.000
 NY3  C11  C10  C24  123.09  3.000
 NY3  C24  C10  C9   120.37  3.000
 NY3  C11  C10  C9   116.54  3.000
 NY3  C7   C24  C25  120.28  3.000
 NY3  C25  C24  C10  120.10  3.000
 NY3  C7   C24  C10  119.62  3.000
 NY3  H14  C25  H13  107.00  3.000
 NY3  H14  C25  H12  107.19  3.000
 NY3  H13  C25  H12  107.27  3.000
 NY3  H14  C25  C24  111.16  3.000
 NY3  H13  C25  C24  110.52  3.000
 NY3  H12  C25  C24  113.40  3.000
 NY3  C6   C7   C24  125.99  3.000
 NY3  C6   C7   C8   115.51  3.000
 NY3  C24  C7   C8   118.50  3.000
 NY3  H15  C6   C5   117.42  3.000
 NY3  H15  C6   C7   120.19  3.000
 NY3  C5   C6   C7   122.39  3.000
 NY3  H16  C5   C6   117.74  3.000
 NY3  H16  C5   C4   120.79  3.000
 NY3  C6   C5   C4   121.47  3.000
 NY3  H18  C11  H17  105.98  3.000
 NY3  H18  C11  C12  106.59  3.000
 NY3  H17  C11  C12  109.41  3.000
 NY3  H18  C11  C10  110.45  3.000
 NY3  H17  C11  C10  110.11  3.000
 NY3  C12  C11  C10  113.93  3.000
 NY3  H20  C12  H19  107.69  3.000
 NY3  H20  C12  O1   109.82  3.000
 NY3  H19  C12  O1   110.29  3.000
 NY3  H20  C12  C11  110.90  3.000
 NY3  H19  C12  C11  109.74  3.000
 NY3  O1   C12  C11  108.41  3.000
 NY3  C13  O1   C12  116.92  3.000
 NY3  N1   C13  O2   123.87  3.000
 NY3  O2   C13  O1   123.76  3.000
 NY3  N1   C13  O1   112.36  3.000
 NY3  H21  N1   C14  116.82  3.000
 NY3  H21  N1   C13  114.87  3.000
 NY3  C14  N1   C13  127.34  3.000
 NY3  H23  C14  H22  107.12  3.000
 NY3  H23  C14  C15  109.73  3.000
 NY3  H22  C14  C15  109.81  3.000
 NY3  H23  C14  N1   109.28  3.000
 NY3  H22  C14  N1   110.98  3.000
 NY3  C15  C14  N1   109.88  3.000
 NY3  C16  C15  C23  119.28  3.000
 NY3  C23  C15  C14  120.26  3.000
 NY3  C16  C15  C14  120.43  3.000
 NY3  H24  C23  C22  120.09  3.000
 NY3  H24  C23  C15  119.97  3.000
 NY3  C22  C23  C15  119.95  3.000
 NY3  H25  C22  C21  119.48  3.000
 NY3  H25  C22  C23  119.98  3.000
 NY3  C21  C22  C23  120.54  3.000
 NY3  H26  C21  C17  120.79  3.000
 NY3  H26  C21  C22  118.87  3.000
 NY3  C17  C21  C22  120.33  3.000
 NY3  C18  C17  C16  119.46  3.000
 NY3  C16  C17  C21  118.47  3.000
 NY3  C18  C17  C21  122.06  3.000
 NY3  H27  C16  C17  119.58  3.000
 NY3  H27  C16  C15  118.98  3.000
 NY3  C17  C16  C15  121.43  3.000
 NY3  C19  C18  N3   104.27  3.000
 NY3  C19  C18  C17  131.31  3.000
 NY3  N3   C18  C17  124.42  3.000
 NY3  H28  N3   C20  125.21  3.000
 NY3  H28  N3   C18  126.75  3.000
 NY3  C20  N3   C18  107.98  3.000
 NY3  H29  C20  N2   126.18  3.000
 NY3  H29  C20  N3   122.21  3.000
 NY3  N2   C20  N3   111.60  3.000
 NY3  C19  N2   C20  105.34  3.000
 NY3  H31  C19  N2   121.75  3.000
 NY3  H31  C19  C18  127.43  3.000
 NY3  N2   C19  C18  110.81  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
 NY3  CONST_01  C5   C4   C26  C8      0.00   0.0  0
 NY3  CONST_02  C5   C6   C7   C8      0.00   0.0  0
 NY3  CONST_03  C6   C7   C8   C26     0.00   0.0  0
 NY3  CONST_04  C6   C5   C4   C26     0.00   0.0  0
 NY3  CONST_05  C7   C8   C26  C4      0.00   0.0  0
 NY3  CONST_06  C7   C6   C5   C4      0.00   0.0  0
 NY3  CONST_07  C18  C17  C16  C15   180.00   0.0  0
 NY3  CONST_08  C21  C17  C16  C15     0.00   0.0  0
 NY3  CONST_09  C21  C22  C23  C15     0.00   0.0  0
 NY3  CONST_10  C17  C21  C22  C23     0.00   0.0  0
 NY3  CONST_11  C17  C16  C15  C23     0.00   0.0  0
 NY3  CONST_12  C18  C17  C21  C22   180.00   0.0  0
 NY3  CONST_13  C16  C17  C21  C22     0.00   0.0  0
 NY3  CONST_14  C16  C15  C23  C22     0.00   0.0  0
 NY3  CONST_17  C20  N3   C18  C17   180.00   0.0  0
 NY3  CONST_18  N2   C19  C18  C17   180.00   0.0  0
 NY3  CONST_21  N2   C20  N3   C18     0.00   0.0  0
 NY3  CONST_22  C20  N2   C19  C18     0.00   0.0  0
 NY3  CONST_23  C19  N2   C20  N3      0.00   0.0  0
 NY3  CONST_24  N2   C19  C18  N3      0.00   0.0  0
 NY3  CONST_25  C19  C18  N3   C20     0.00   0.0  0
 NY3  CONST_26  N    C4   C26  C8    180.00   0.0  0
 NY3  CONST_27  C6   C5   C4   N     180.00   0.0  0
 NY3  CONST_28  C17  C16  C15  C14   180.00   0.0  0
 NY3  CONST_29  C22  C23  C15  C14   180.00   0.0  0
 NY3  CONST_30  H1   C26  C8   O       0.00   0.0  0
 NY3  CONST_31  H15  C6   C7   C8    180.00   0.0  0
 NY3  CONST_32  H16  C5   C4   C26   180.00   0.0  0
 NY3  CONST_33  H25  C22  C23  C15   180.00   0.0  0
 NY3  CONST_34  H26  C21  C22  C23   180.00   0.0  0
 NY3  CONST_35  H27  C16  C15  C23   180.00   0.0  0
 NY3  CONST_36  H24  C23  C22  C21   180.00   0.0  0
 NY3  CONST_37  H28  N3   C18  C17     0.00   0.0  0
 NY3  CONST_38  H31  C19  C18  C17     0.00   0.0  0
 NY3  CONST_39  H29  C20  N3   C18   180.00   0.0  0
 NY3  CONST_40  C1   N    C4   C26     0.00   0.0  0
 NY3  CONST_41  C2   N    C4   C26   180.00   0.0  0
 NY3  CONST_42  C5   C4   N    C2      0.00   0.0  0
 NY3  CONST_43  C5   C4   N    C1    180.00   0.0  0
 NY3  Var_01    C26  C8   O    C9   -178.13  30.0  1
 NY3  Var_02    C7   C24  C10  C9     -0.89  30.0  1
 NY3  Var_03    C24  C10  C9   O       2.38  30.0  1
 NY3  Var_04    C10  C9   O    C8     -2.57  30.0  1
 NY3  Var_05    C10  C24  C7   C8     -0.51  30.0  1
 NY3  Var_06    C12  C11  C10  C9     96.44  30.0  3
 NY3  Var_07    C16  C15  C14  N1   -107.31  30.0  3
 NY3  Var_08    H12  C25  C24  C10   179.87  30.0  3
 NY3  Var_09    C    C1   N    C4     80.18  30.0  3
 NY3  Var_10    C3   C2   N    C4    -76.00  30.0  3
 NY3  Var_11    O1   C12  C11  C10   -59.09  30.0  1
 NY3  Var_12    C15  C14  N1   C13  -148.32  30.0  3
 NY3  Var_13    N1   C13  O1   C12   177.96  30.0  1
 NY3  Var_14    C14  N1   C13  O1      5.97  30.0  1
 NY3  Var_15    H9   C    C1   N    -177.66  30.0  3
 NY3  Var_16    H4   C3   C2   N     178.66  30.0  3

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
 NY3  plan-1  C17  0.020
 NY3  plan-1  C18  0.020
 NY3  plan-1  N3   0.020
 NY3  plan-1  C20  0.020
 NY3  plan-1  N2   0.020
 NY3  plan-1  C19  0.020
 NY3  plan-1  H28  0.020
 NY3  plan-1  H29  0.020
 NY3  plan-1  H31  0.020
 NY3  plan-2  C14  0.020
 NY3  plan-2  C15  0.020
 NY3  plan-2  C23  0.020
 NY3  plan-2  C22  0.020
 NY3  plan-2  C21  0.020
 NY3  plan-2  C17  0.020
 NY3  plan-2  C16  0.020
 NY3  plan-2  C18  0.020
 NY3  plan-2  H24  0.020
 NY3  plan-2  H25  0.020
 NY3  plan-2  H26  0.020
 NY3  plan-2  H27  0.020
 NY3  plan-3  O    0.020
 NY3  plan-3  C8   0.020
 NY3  plan-3  C26  0.020
 NY3  plan-3  C4   0.020
 NY3  plan-3  N    0.020
 NY3  plan-3  C24  0.020
 NY3  plan-3  C7   0.020
 NY3  plan-3  C6   0.020
 NY3  plan-3  C5   0.020
 NY3  plan-3  H1   0.020
 NY3  plan-3  H15  0.020
 NY3  plan-3  H16  0.020
 NY3  plan-4  C4   0.020
 NY3  plan-4  N    0.020
 NY3  plan-4  C2   0.020
 NY3  plan-4  C1   0.020
 NY3  plan-5  O3   0.020
 NY3  plan-5  C9   0.020
 NY3  plan-5  O    0.020
 NY3  plan-5  C10  0.020
 NY3  plan-6  O1   0.020
 NY3  plan-6  C13  0.020
 NY3  plan-6  O2   0.020
 NY3  plan-6  N1   0.020

