# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Aug  2 11:50:09 2021
#   Inital geometry file: a 151 line input string
#   Ligand name: 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Nc1nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C(F)(F)F)c12)[C@@H]5CC[C@H]6COC(=O)N6C5
#
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
 ULV  ULV  4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide  ligand  61  39  .  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_ULV
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
 ULV  N01  N  N     0  -0.449  -21.0238   4.9368  -19.5390
 ULV  C02  C  CR16  0  -0.142  -20.0631   5.1690  -20.4746
 ULV  C03  C  CR16  0  -0.098  -18.8369   5.6580  -20.2048
 ULV  C04  C  CR6   0   0.362  -20.7418   5.1518  -18.2805
 ULV  C05  C  CR56  0   0.266  -19.4346   5.5876  -17.8696
 ULV  N06  N  N     0  -0.537  -18.5361   5.8901  -18.8766
 ULV  C07  C  CR5   0   0.522  -17.4133   6.3767  -18.2970
 ULV  N08  N  N     0  -0.445  -17.5448   6.3945  -16.9906
 ULV  C09  C  CR5   0   0.108  -18.7688   5.8987  -16.6913
 ULV  C10  C  CH1   0  -0.404  -16.2283   6.8191  -19.0815
 ULV  N11  N  NH2   0  -0.826  -21.7007   4.9399  -17.3559
 ULV  C12  C  CH2   0  -0.427  -14.9622   6.8976  -18.2256
 ULV  C13  C  CH2   0  -0.453  -13.7691   7.3209  -19.0785
 ULV  C14  C  CR15  0  -0.131  -14.0381   8.6554  -19.7651
 ULV  N15  N  NR5   0  -0.483  -15.3140   8.6182  -20.4581
 ULV  C16  C  CH2   0  -0.290  -16.4852   8.1874  -19.7378
 ULV  C17  C  CR6   0   0.011  -19.1747   5.7330  -15.2955
 ULV  C18  C  CR16  0  -0.324  -19.8337   4.5834  -14.8538
 ULV  C19  C  CR16  0  -0.241  -20.1732   4.4309  -13.5216
 ULV  C20  C  CR6   0  -0.046  -19.8697   5.4251  -12.5948
 ULV  C21  C  CR16  0  -0.280  -19.1875   6.5625  -13.0263
 ULV  C22  C  CR16  0  -0.275  -18.8390   6.7100  -14.3567
 ULV  C23  C  C     0   0.541  -20.2525   5.1944  -11.1734
 ULV  N24  N  NH1   0  -0.735  -20.4367   6.3243  -10.4352
 ULV  O25  O  O     0  -0.450  -20.4008   4.0711  -10.7288
 ULV  C26  C  CR6   0   0.517  -20.7694   6.4499   -9.0932
 ULV  N27  N  N     0  -0.442  -20.9678   7.7110   -8.7269
 ULV  C28  C  CR16  0  -0.042  -21.2863   7.9692   -7.4705
 ULV  C29  C  CR16  0  -0.376  -21.4273   6.9908   -6.4992
 ULV  C30  C  CR6   0  -0.080  -21.2121   5.6791   -6.8898
 ULV  C31  C  CR16  0  -0.398  -20.8795   5.3825   -8.2014
 ULV  C32  C  CT    0   1.060  -21.3690   4.5462   -5.9166
 ULV  F33  F  F     0  -0.306  -20.3769   3.6573   -6.0275
 ULV  F34  F  F     0  -0.299  -21.3869   4.9655   -4.6507
 ULV  F35  F  F     0  -0.309  -22.5123   3.8840   -6.1320
 ULV  C36  C  CR5   0   0.694  -15.1325   8.3535  -21.7745
 ULV  O37  O  O     0  -0.470  -13.8400   8.5232  -22.0904
 ULV  C38  C  CH2   0  -0.188  -13.1166   8.9749  -20.9395
 ULV  O39  O  O     0  -0.488  -15.9601   8.0237  -22.5902
 ULV  H1   H  HCR6  0   0.271  -20.3346   4.9630  -21.5013
 ULV  H2   H  HCR6  0   0.301  -18.0858   5.8734  -20.9482
 ULV  H3   H  HCH1  0   0.276  -16.0540   6.0865  -19.8803
 ULV  H4   H  HNH2  0   0.399  -22.6357   4.8024  -17.7048
 ULV  H5   H  HNH2  0   0.407  -21.6415   5.3909  -16.4589
 ULV  H6   H  HCH2  0   0.258  -14.7636   5.9303  -17.7624
 ULV  H7   H  HCH2  0   0.238  -15.1129   7.6153  -17.4142
 ULV  H8   H  HCH2  0   0.236  -13.5674   6.5535  -19.8337
 ULV  H9   H  HCH2  0   0.259  -12.8731   7.4063  -18.4607
 ULV  H10  H  HCR5  0   0.280  -14.0332   9.4614  -19.0277
 ULV  H11  H  HCH2  0   0.269  -16.7113   8.9237  -18.9625
 ULV  H12  H  HCH2  0   0.272  -17.3319   8.1653  -20.4230
 ULV  H13  H  HCR6  0   0.272  -20.0617   3.7874  -15.5504
 ULV  H14  H  HCR6  0   0.268  -20.6756   3.5281  -13.2014
 ULV  H15  H  HCR6  0   0.267  -18.8945   7.3396  -12.3312
 ULV  H16  H  HCR6  0   0.261  -18.3042   7.5958  -14.6724
 ULV  H17  H  HNH1  0   0.420  -20.3969   7.2150  -10.9097
 ULV  H18  H  HCR6  0   0.282  -21.4381   9.0113   -7.2165
 ULV  H19  H  HCR6  0   0.287  -21.6919   7.2669   -5.4895
 ULV  H20  H  HCR6  0   0.309  -20.7073   4.3693   -8.5247
 ULV  H21  H  HCH2  0   0.260  -12.1630   8.4511  -20.8929
 ULV  H22  H  HCH2  0   0.260  -12.9324  10.0462  -21.0333

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
 ULV  O39  C36  double    1.208  0.020  1.208
 ULV  O37  C36  single    1.341  0.020  1.341
 ULV  O37  C38  single    1.433  0.020  1.433
 ULV  C36  N15  single    1.355  0.020  1.355
 ULV  C02  C03  aromatic  1.347  0.020  1.347
 ULV  C02  N01  aromatic  1.361  0.020  1.361
 ULV  C38  C14  single    1.527  0.020  1.527
 ULV  C03  N06  aromatic  1.381  0.020  1.381
 ULV  N15  C14  single    1.452  0.020  1.452
 ULV  N15  C16  single    1.441  0.020  1.441
 ULV  N01  C04  aromatic  1.307  0.020  1.307
 ULV  C14  C13  single    1.525  0.020  1.525
 ULV  C16  C10  single    1.539  0.020  1.539
 ULV  C13  C12  single    1.526  0.020  1.526
 ULV  C10  C07  single    1.488  0.020  1.488
 ULV  C10  C12  single    1.530  0.020  1.530
 ULV  N06  C07  aromatic  1.354  0.020  1.354
 ULV  N06  C05  aromatic  1.383  0.020  1.383
 ULV  C04  C05  aromatic  1.438  0.020  1.438
 ULV  C04  N11  single    1.349  0.020  1.349
 ULV  C07  N08  aromatic  1.313  0.020  1.313
 ULV  C05  C09  aromatic  1.389  0.020  1.389
 ULV  N08  C09  aromatic  1.354  0.020  1.354
 ULV  C09  C17  single    1.463  0.020  1.463
 ULV  C17  C18  aromatic  1.397  0.020  1.397
 ULV  C17  C22  aromatic  1.396  0.020  1.396
 ULV  C18  C19  aromatic  1.383  0.020  1.383
 ULV  C22  C21  aromatic  1.383  0.020  1.383
 ULV  C19  C20  aromatic  1.393  0.020  1.393
 ULV  C21  C20  aromatic  1.395  0.020  1.395
 ULV  C20  C23  single    1.490  0.020  1.490
 ULV  C23  O25  double    1.217  0.020  1.217
 ULV  C23  N24  single    1.362  0.020  1.362
 ULV  N24  C26  single    1.388  0.020  1.388
 ULV  C26  N27  aromatic  1.328  0.020  1.328
 ULV  C26  C31  aromatic  1.395  0.020  1.395
 ULV  N27  C28  aromatic  1.322  0.020  1.322
 ULV  C31  C30  aromatic  1.385  0.020  1.385
 ULV  C28  C29  aromatic  1.386  0.020  1.386
 ULV  C30  C29  aromatic  1.385  0.020  1.385
 ULV  C30  C32  single    1.502  0.020  1.502
 ULV  F33  C32  single    1.337  0.020  1.337
 ULV  C32  F35  single    1.339  0.020  1.339
 ULV  C32  F34  single    1.334  0.020  1.334
 ULV  C02  H1   single    0.930  0.020  1.080
 ULV  C03  H2   single    0.930  0.020  1.080
 ULV  C10  H3   single    0.970  0.020  1.090
 ULV  N11  H4   single    0.890  0.020  1.040
 ULV  N11  H5   single    0.890  0.020  1.040
 ULV  C12  H6   single    0.970  0.020  1.090
 ULV  C12  H7   single    0.970  0.020  1.090
 ULV  C13  H8   single    0.970  0.020  1.090
 ULV  C13  H9   single    0.970  0.020  1.090
 ULV  C14  H10  single    0.970  0.020  1.090
 ULV  C16  H11  single    0.970  0.020  1.090
 ULV  C16  H12  single    0.970  0.020  1.090
 ULV  C18  H13  single    0.930  0.020  1.080
 ULV  C19  H14  single    0.930  0.020  1.080
 ULV  C21  H15  single    0.930  0.020  1.080
 ULV  C22  H16  single    0.930  0.020  1.080
 ULV  N24  H17  single    0.860  0.020  1.020
 ULV  C28  H18  single    0.930  0.020  1.080
 ULV  C29  H19  single    0.930  0.020  1.080
 ULV  C31  H20  single    0.930  0.020  1.080
 ULV  C38  H21  single    0.970  0.020  1.090
 ULV  C38  H22  single    0.970  0.020  1.090

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
 ULV  C04  N01  C02  118.77  3.000
 ULV  H1   C02  C03  119.19  3.000
 ULV  H1   C02  N01  116.28  3.000
 ULV  C03  C02  N01  124.52  3.000
 ULV  H2   C03  N06  118.52  3.000
 ULV  H2   C03  C02  124.63  3.000
 ULV  N06  C03  C02  116.85  3.000
 ULV  N11  C04  C05  119.87  3.000
 ULV  N11  C04  N01  118.73  3.000
 ULV  C05  C04  N01  121.40  3.000
 ULV  C09  C05  N06  104.91  3.000
 ULV  C09  C05  C04  138.27  3.000
 ULV  N06  C05  C04  116.67  3.000
 ULV  C07  N06  C05  107.80  3.000
 ULV  C05  N06  C03  121.45  3.000
 ULV  C07  N06  C03  130.73  3.000
 ULV  C10  C07  N08  126.87  3.000
 ULV  N08  C07  N06  110.35  3.000
 ULV  C10  C07  N06  122.78  3.000
 ULV  C09  N08  C07  107.78  3.000
 ULV  C17  C09  N08  120.21  3.000
 ULV  C17  C09  C05  130.63  3.000
 ULV  N08  C09  C05  109.14  3.000
 ULV  H3   C10  C16  108.03  3.000
 ULV  H3   C10  C12  108.05  3.000
 ULV  C16  C10  C12  109.33  3.000
 ULV  H3   C10  C07  108.15  3.000
 ULV  C12  C10  C07  112.28  3.000
 ULV  C16  C10  C07  110.86  3.000
 ULV  H5   N11  H4   115.14  3.000
 ULV  H5   N11  C04  119.94  3.000
 ULV  H4   N11  C04  116.35  3.000
 ULV  H7   C12  H6   106.98  3.000
 ULV  H7   C12  C13  109.89  3.000
 ULV  H6   C12  C13  109.93  3.000
 ULV  H7   C12  C10  109.55  3.000
 ULV  H6   C12  C10  110.04  3.000
 ULV  C13  C12  C10  110.39  3.000
 ULV  H9   C13  H8   107.09  3.000
 ULV  H9   C13  C14  109.34  3.000
 ULV  H8   C13  C14  109.58  3.000
 ULV  H9   C13  C12  110.31  3.000
 ULV  H8   C13  C12  109.57  3.000
 ULV  C14  C13  C12  110.88  3.000
 ULV  H10  C14  C38  111.23  3.000
 ULV  H10  C14  N15  110.18  3.000
 ULV  C38  C14  N15   99.71  3.000
 ULV  H10  C14  C13  109.93  3.000
 ULV  N15  C14  C13  110.34  3.000
 ULV  C38  C14  C13  115.03  3.000
 ULV  C36  N15  C16  122.42  3.000
 ULV  C16  N15  C14  118.89  3.000
 ULV  C36  N15  C14  110.54  3.000
 ULV  H12  C16  H11  107.40  3.000
 ULV  H12  C16  N15  108.86  3.000
 ULV  H11  C16  N15  108.75  3.000
 ULV  H12  C16  C10  112.33  3.000
 ULV  H11  C16  C10  109.33  3.000
 ULV  N15  C16  C10  110.08  3.000
 ULV  C22  C17  C18  118.48  3.000
 ULV  C22  C17  C09  119.71  3.000
 ULV  C18  C17  C09  121.73  3.000
 ULV  H13  C18  C19  119.16  3.000
 ULV  H13  C18  C17  120.08  3.000
 ULV  C19  C18  C17  120.74  3.000
 ULV  H14  C19  C20  120.00  3.000
 ULV  H14  C19  C18  119.42  3.000
 ULV  C20  C19  C18  120.58  3.000
 ULV  C23  C20  C21  123.17  3.000
 ULV  C23  C20  C19  117.92  3.000
 ULV  C21  C20  C19  118.88  3.000
 ULV  H15  C21  C22  118.20  3.000
 ULV  H15  C21  C20  121.26  3.000
 ULV  C22  C21  C20  120.52  3.000
 ULV  H16  C22  C21  119.51  3.000
 ULV  H16  C22  C17  119.72  3.000
 ULV  C21  C22  C17  120.77  3.000
 ULV  O25  C23  N24  123.44  3.000
 ULV  N24  C23  C20  115.04  3.000
 ULV  O25  C23  C20  121.51  3.000
 ULV  H17  N24  C26  112.57  3.000
 ULV  H17  N24  C23  118.13  3.000
 ULV  C26  N24  C23  129.14  3.000
 ULV  C31  C26  N27  122.57  3.000
 ULV  C31  C26  N24  124.58  3.000
 ULV  N27  C26  N24  112.85  3.000
 ULV  C28  N27  C26  118.93  3.000
 ULV  H18  C28  C29  120.04  3.000
 ULV  H18  C28  N27  116.40  3.000
 ULV  C29  C28  N27  123.56  3.000
 ULV  H19  C29  C30  122.94  3.000
 ULV  H19  C29  C28  119.99  3.000
 ULV  C30  C29  C28  117.07  3.000
 ULV  C32  C30  C31  118.50  3.000
 ULV  C32  C30  C29  121.02  3.000
 ULV  C31  C30  C29  120.46  3.000
 ULV  H20  C31  C30  121.59  3.000
 ULV  H20  C31  C26  121.00  3.000
 ULV  C30  C31  C26  117.41  3.000
 ULV  F35  C32  F34  107.26  3.000
 ULV  F34  C32  F33  107.33  3.000
 ULV  F35  C32  F33  106.95  3.000
 ULV  F34  C32  C30  112.30  3.000
 ULV  F35  C32  C30  110.99  3.000
 ULV  F33  C32  C30  111.74  3.000
 ULV  O39  C36  O37  122.39  3.000
 ULV  O37  C36  N15  109.46  3.000
 ULV  O39  C36  N15  128.15  3.000
 ULV  C38  O37  C36  109.71  3.000
 ULV  H22  C38  H21  109.16  3.000
 ULV  H22  C38  O37  109.01  3.000
 ULV  H21  C38  O37  108.96  3.000
 ULV  H22  C38  C14  111.94  3.000
 ULV  H21  C38  C14  113.27  3.000
 ULV  O37  C38  C14  104.31  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
 ULV  CONST_01  N06  C03  C02  N01     0.00   0.0  0
 ULV  CONST_02  N06  C05  C04  N01     0.00   0.0  0
 ULV  CONST_03  C09  C05  C04  N01   180.00   0.0  0
 ULV  CONST_04  C07  N06  C03  C02   180.00   0.0  0
 ULV  CONST_05  C05  N06  C03  C02     0.00   0.0  0
 ULV  CONST_06  C05  C04  N01  C02     0.00   0.0  0
 ULV  CONST_07  C04  N01  C02  C03     0.00   0.0  0
 ULV  CONST_08  N08  C07  N06  C03   180.00   0.0  0
 ULV  CONST_09  C04  C05  N06  C03     0.00   0.0  0
 ULV  CONST_10  C09  C05  N06  C03   180.00   0.0  0
 ULV  CONST_11  C07  N06  C05  C04   180.00   0.0  0
 ULV  CONST_12  N08  C09  C05  C04   180.00   0.0  0
 ULV  CONST_13  C17  C09  C05  C04     0.00   0.0  0
 ULV  CONST_14  N08  C07  N06  C05     0.00   0.0  0
 ULV  CONST_15  C07  N08  C09  C05     0.00   0.0  0
 ULV  CONST_18  C09  N08  C07  N06     0.00   0.0  0
 ULV  CONST_19  N08  C09  C05  N06     0.00   0.0  0
 ULV  CONST_20  C17  C09  C05  N06   180.00   0.0  0
 ULV  CONST_21  C09  C05  N06  C07     0.00   0.0  0
 ULV  CONST_22  C17  C09  N08  C07   180.00   0.0  0
 ULV  CONST_25  C19  C18  C17  C09   180.00   0.0  0
 ULV  CONST_26  C21  C22  C17  C09   180.00   0.0  0
 ULV  CONST_27  C20  C19  C18  C17     0.00   0.0  0
 ULV  CONST_28  C20  C21  C22  C17     0.00   0.0  0
 ULV  CONST_29  C21  C22  C17  C18     0.00   0.0  0
 ULV  CONST_30  C21  C20  C19  C18     0.00   0.0  0
 ULV  CONST_31  C22  C17  C18  C19     0.00   0.0  0
 ULV  CONST_32  C22  C21  C20  C19     0.00   0.0  0
 ULV  CONST_33  C29  C28  N27  C26     0.00   0.0  0
 ULV  CONST_34  C29  C30  C31  C26     0.00   0.0  0
 ULV  CONST_35  C30  C31  C26  N27     0.00   0.0  0
 ULV  CONST_36  C30  C29  C28  N27     0.00   0.0  0
 ULV  CONST_37  C31  C26  N27  C28     0.00   0.0  0
 ULV  CONST_38  C31  C30  C29  C28     0.00   0.0  0
 ULV  CONST_39  C10  C07  N06  C03     0.00   0.0  0
 ULV  CONST_40  C10  C07  N06  C05   180.00   0.0  0
 ULV  CONST_41  C10  C07  N08  C09   180.00   0.0  0
 ULV  CONST_42  N11  C04  N01  C02   180.00   0.0  0
 ULV  CONST_43  N11  C04  C05  N06   180.00   0.0  0
 ULV  CONST_44  N11  C04  C05  C09     0.00   0.0  0
 ULV  CONST_45  C23  C20  C19  C18   180.00   0.0  0
 ULV  CONST_46  C23  C20  C21  C22   180.00   0.0  0
 ULV  CONST_47  C28  N27  C26  N24   180.00   0.0  0
 ULV  CONST_48  C30  C31  C26  N24   180.00   0.0  0
 ULV  CONST_49  C32  C30  C31  C26   180.00   0.0  0
 ULV  CONST_50  C32  C30  C29  C28   180.00   0.0  0
 ULV  CONST_51  H2   C03  C02  N01   180.00   0.0  0
 ULV  CONST_52  H1   C02  N01  C04   180.00   0.0  0
 ULV  CONST_53  H13  C18  C17  C09     0.00   0.0  0
 ULV  CONST_54  H16  C22  C17  C09     0.00   0.0  0
 ULV  CONST_55  H14  C19  C18  C17   180.00   0.0  0
 ULV  CONST_56  H15  C21  C22  C17   180.00   0.0  0
 ULV  CONST_57  H18  C28  N27  C26   180.00   0.0  0
 ULV  CONST_58  H20  C31  C26  N27   180.00   0.0  0
 ULV  CONST_59  H19  C29  C28  N27   180.00   0.0  0
 ULV  CONST_60  C26  N24  C23  C20   180.00   0.0  0
 ULV  CONST_61  N27  C26  N24  C23   180.00   0.0  0
 ULV  CONST_62  C31  C26  N24  C23     0.00   0.0  0
 ULV  CONST_63  H4   N11  C04  N01     0.00   0.0  0
 ULV  CONST_65  H17  N24  C26  N27     0.00   0.0  0
 ULV  CONST_66  C26  N24  C23  O25     0.00   0.0  0
 ULV  Var_01    C36  N15  C16  C10    92.47  30.0  1
 ULV  Var_02    C14  C13  C12  C10    56.99  30.0  1
 ULV  Var_03    O37  C36  N15  C14   -14.64  30.0  1
 ULV  Var_04    H21  C38  O37  C36   138.16  30.0  1
 ULV  Var_05    O25  C23  C20  C19    24.20  30.0  2
 ULV  Var_06    F33  C32  C30  C29  -136.51  30.0  2

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
 ULV  chir_01  C10  C16  C07  C12  positiv
 ULV  chir_02  C14  N15  C13  C38  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
 ULV  plan-1  C09  0.020
 ULV  plan-1  C17  0.020
 ULV  plan-1  C18  0.020
 ULV  plan-1  C19  0.020
 ULV  plan-1  C20  0.020
 ULV  plan-1  C21  0.020
 ULV  plan-1  C22  0.020
 ULV  plan-1  C23  0.020
 ULV  plan-1  H13  0.020
 ULV  plan-1  H14  0.020
 ULV  plan-1  H15  0.020
 ULV  plan-1  H16  0.020
 ULV  plan-2  C14  0.020
 ULV  plan-2  N15  0.020
 ULV  plan-2  C16  0.020
 ULV  plan-2  C36  0.020
 ULV  plan-3  N15  0.020
 ULV  plan-3  C36  0.020
 ULV  plan-3  O37  0.020
 ULV  plan-3  O39  0.020
 ULV  plan-4  N24  0.020
 ULV  plan-4  C26  0.020
 ULV  plan-4  N27  0.020
 ULV  plan-4  C28  0.020
 ULV  plan-4  C29  0.020
 ULV  plan-4  C30  0.020
 ULV  plan-4  C31  0.020
 ULV  plan-4  C32  0.020
 ULV  plan-4  H18  0.020
 ULV  plan-4  H19  0.020
 ULV  plan-4  H20  0.020
 ULV  plan-5  N01  0.020
 ULV  plan-5  C02  0.020
 ULV  plan-5  C03  0.020
 ULV  plan-5  C04  0.020
 ULV  plan-5  C05  0.020
 ULV  plan-5  N06  0.020
 ULV  plan-5  C07  0.020
 ULV  plan-5  N08  0.020
 ULV  plan-5  C09  0.020
 ULV  plan-5  C10  0.020
 ULV  plan-5  N11  0.020
 ULV  plan-5  C17  0.020
 ULV  plan-5  H1   0.020
 ULV  plan-5  H2   0.020
 ULV  plan-6  C20  0.020
 ULV  plan-6  C23  0.020
 ULV  plan-6  N24  0.020
 ULV  plan-6  O25  0.020
 ULV  plan-6  C26  0.020
 ULV  plan-6  H17  0.020
 ULV  plan-7  C04  0.020
 ULV  plan-7  N11  0.020
 ULV  plan-7  H4   0.020
 ULV  plan-7  H5   0.020

