# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Apr 21 14:28:59 2020
#   Inital geometry file: a 158 line input string
#   Ligand name: 4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(NCc1cccnc1)Nc2ccc(CNC(=O)c3ccc(CN4CCNCC4)cc3)cc2
#
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
 CVP  CVP  4-[(piperazin-1-yl)methyl]-N-{[4-({[(pyridin-3-yl)methyl]carbamoyl}amino)phenyl]methyl}benzamide  ligand  64  34  .  2021-08-07  2021-08-07  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_CVP
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
 CVP  C1   C  CR6   0   0.365   -2.8866  -1.4431  -0.5231
 CVP  C3   C  C     0   0.750   -4.6415   0.0763   0.3867
 CVP  C11  C  CR16  0  -0.292   -1.2563  -2.7326  -1.7621
 CVP  C12  C  CR16  0  -0.343   -2.4094  -1.9674  -1.7268
 CVP  C13  C  CR16  0  -0.074   -8.8164   1.0119   0.4136
 CVP  C15  C  CR16  0  -0.069  -10.3374   2.3086  -0.6700
 CVP  C16  C  CR16  0  -0.318   -9.4127   3.3215  -0.8647
 CVP  C17  C  CR16  0  -0.182   -8.1239   3.1404  -0.3835
 CVP  C20  C  C     0   0.523    2.7061  -3.1237   0.6878
 CVP  C21  C  CR6   0  -0.049    3.7649  -2.0796   0.8322
 CVP  C23  C  CR16  0  -0.255    4.9743  -2.4311   1.4245
 CVP  C24  C  CR16  0  -0.301    5.9788  -1.4892   1.5805
 CVP  C25  C  CR6   0   0.082    5.7905  -0.1689   1.1832
 CVP  C26  C  CR16  0  -0.269    4.5712   0.1851   0.6120
 CVP  C27  C  CR16  0  -0.277    3.5727  -0.7581   0.4318
 CVP  C28  C  CH2   0  -0.310    6.8615   0.8647   1.4191
 CVP  C30  C  CH2   0  -0.286    7.6576   3.0419   0.7892
 CVP  N2   N  NH1   0  -0.789   -4.0581  -0.6930  -0.5884
 CVP  N4   N  NH1   0  -0.682   -5.7577   0.7239  -0.0353
 CVP  O5   O  O     0  -0.519   -4.2222   0.1619   1.5312
 CVP  C6   C  CH2   0  -0.319   -6.4275   1.6927   0.8069
 CVP  C7   C  CR6   0  -0.031   -7.8067   1.9613   0.2754
 CVP  C8   C  CR16  0  -0.305   -2.1750  -1.7173   0.6497
 CVP  C9   C  CR16  0  -0.282   -1.0197  -2.4811   0.5922
 CVP  C10  C  CR6   0   0.099   -0.5378  -3.0024  -0.6040
 CVP  N14  N  N     0  -0.402  -10.0500   1.1720  -0.0421
 CVP  N19  N  NH1   0  -0.631    1.8932  -2.9756  -0.3724
 CVP  O22  O  O     0  -0.492    2.6129  -4.0456   1.4880
 CVP  N29  N  NT    0  -0.415    6.9176   1.8626   0.3767
 CVP  C31  C  CH2   0  -0.324    7.6195   4.1004  -0.3042
 CVP  N32  N  NH1   0  -0.580    8.0972   3.6213  -1.5905
 CVP  C33  C  CH2   0  -0.320    7.4167   2.3900  -1.9568
 CVP  C34  C  CH2   0  -0.287    7.4486   1.3295  -0.8651
 CVP  H1   H  HCR6  0   0.255   -0.9119  -3.1184  -2.7144
 CVP  H2   H  HCR6  0   0.266   -2.9430  -1.7691  -2.6493
 CVP  H3   H  HCR6  0   0.262   -8.6068   0.0772   0.9258
 CVP  H4   H  HCR6  0   0.266  -11.3529   2.4180  -1.0341
 CVP  H5   H  HCR6  0   0.273   -9.6959   4.2279  -1.3816
 CVP  H6   H  HCR6  0   0.273   -7.3733   3.9098  -0.5188
 CVP  H7   H  HCH2  0   0.268    0.7173  -4.6027   0.0955
 CVP  H8   H  HCH2  0   0.264    0.8505  -4.2737  -1.6222
 CVP  H9   H  HCR6  0   0.257    5.1416  -3.4501   1.7479
 CVP  H10  H  HCR6  0   0.253    6.9237  -1.7878   2.0187
 CVP  H11  H  HCR6  0   0.252    4.4076   1.2090   0.3019
 CVP  H12  H  HCR6  0   0.255    2.6308  -0.4411   0.0004
 CVP  H13  H  HCH2  0   0.258    6.6400   1.3737   2.3630
 CVP  H14  H  HCH2  0   0.213    7.8308   0.3598   1.5702
 CVP  H16  H  HCH2  0   0.186    8.7105   2.8015   1.0231
 CVP  H17  H  HNH1  0   0.409   -4.4790  -0.6581  -1.5042
 CVP  H18  H  HNH1  0   0.400   -5.9638   0.7636  -1.0214
 CVP  H19  H  HCH2  0   0.265   -6.4929   1.2947   1.8198
 CVP  H20  H  HCH2  0   0.253   -5.8666   2.6307   0.8669
 CVP  H21  H  HCR6  0   0.276   -2.5139  -1.3469   1.6027
 CVP  H22  H  HCR6  0   0.250   -0.4874  -2.6775   1.5161
 CVP  H23  H  HNH1  0   0.405    2.0849  -2.2402  -1.0334
 CVP  H25  H  HCH2  0   0.218    6.5884   4.4470  -0.4278
 CVP  H26  H  HCH2  0   0.236    8.2130   4.9642   0.0012
 CVP  H27  H  HNH1  0   0.339    9.0924   3.4379  -1.5219
 CVP  H29  H  HCH2  0   0.219    6.3737   2.6298  -2.1863
 CVP  H30  H  HCH2  0   0.235    7.8626   1.9913  -2.8698
 CVP  H31  H  HCH2  0   0.189    8.4857   0.9687  -0.7339
 CVP  H32  H  HCH2  0   0.236    6.8525   0.4683  -1.1768
 CVP  C18  C  CH2   0  -0.379    0.7368  -3.8029  -0.6434
 CVP  H15  H  HCH2  0   0.234    7.2109   3.4404   1.7041

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
 CVP  C15  C16  aromatic  1.385  0.020  1.385
 CVP  C15  N14  aromatic  1.330  0.020  1.330
 CVP  C16  C17  aromatic  1.388  0.020  1.388
 CVP  N14  C13  aromatic  1.325  0.020  1.325
 CVP  C17  C7   aromatic  1.387  0.020  1.387
 CVP  C13  C7   aromatic  1.393  0.020  1.393
 CVP  C7   C6   single    1.502  0.020  1.502
 CVP  C6   N4   single    1.448  0.020  1.448
 CVP  N4   C3   single    1.358  0.020  1.358
 CVP  C12  C11  aromatic  1.384  0.020  1.384
 CVP  C12  C1   aromatic  1.397  0.020  1.397
 CVP  N2   C3   single    1.372  0.020  1.372
 CVP  N2   C1   single    1.393  0.020  1.393
 CVP  C3   O5   double    1.222  0.020  1.222
 CVP  C11  C10  aromatic  1.389  0.020  1.389
 CVP  C1   C8   aromatic  1.399  0.020  1.399
 CVP  C10  C18  single    1.506  0.020  1.506
 CVP  C10  C9   aromatic  1.391  0.020  1.391
 CVP  C8   C9   aromatic  1.386  0.020  1.386
 CVP  C18  N19  single    1.448  0.020  1.448
 CVP  N19  C20  single    1.344  0.020  1.344
 CVP  C27  C26  aromatic  1.385  0.020  1.385
 CVP  C27  C21  aromatic  1.394  0.020  1.394
 CVP  C20  C21  single    1.494  0.020  1.494
 CVP  C20  O22  double    1.224  0.020  1.224
 CVP  C26  C25  aromatic  1.392  0.020  1.392
 CVP  C33  C34  single    1.522  0.020  1.522
 CVP  C33  N32  single    1.454  0.020  1.454
 CVP  C21  C23  aromatic  1.392  0.020  1.392
 CVP  C34  N29  single    1.452  0.020  1.452
 CVP  N32  C31  single    1.453  0.020  1.453
 CVP  C25  C28  single    1.507  0.020  1.507
 CVP  C25  C24  aromatic  1.392  0.020  1.392
 CVP  C23  C24  aromatic  1.386  0.020  1.386
 CVP  N29  C28  single    1.444  0.020  1.444
 CVP  N29  C30  single    1.452  0.020  1.452
 CVP  C31  C30  single    1.522  0.020  1.522
 CVP  C11  H1   single    0.930  0.020  1.080
 CVP  C12  H2   single    0.930  0.020  1.080
 CVP  C13  H3   single    0.930  0.020  1.080
 CVP  C15  H4   single    0.930  0.020  1.080
 CVP  C16  H5   single    0.930  0.020  1.080
 CVP  C17  H6   single    0.930  0.020  1.080
 CVP  C18  H7   single    0.970  0.020  1.090
 CVP  C18  H8   single    0.970  0.020  1.090
 CVP  C23  H9   single    0.930  0.020  1.080
 CVP  C24  H10  single    0.930  0.020  1.080
 CVP  C26  H11  single    0.930  0.020  1.080
 CVP  C27  H12  single    0.930  0.020  1.080
 CVP  C28  H13  single    0.970  0.020  1.090
 CVP  C28  H14  single    0.970  0.020  1.090
 CVP  C30  H15  single    0.970  0.020  1.090
 CVP  C30  H16  single    0.970  0.020  1.090
 CVP  N2   H17  single    0.860  0.020  1.020
 CVP  N4   H18  single    0.860  0.020  1.020
 CVP  C6   H19  single    0.970  0.020  1.090
 CVP  C6   H20  single    0.970  0.020  1.090
 CVP  C8   H21  single    0.930  0.020  1.080
 CVP  C9   H22  single    0.930  0.020  1.080
 CVP  N19  H23  single    0.860  0.020  1.020
 CVP  C31  H25  single    0.970  0.020  1.090
 CVP  C31  H26  single    0.970  0.020  1.090
 CVP  N32  H27  single    0.890  0.020  1.040
 CVP  C33  H29  single    0.970  0.020  1.090
 CVP  C33  H30  single    0.970  0.020  1.090
 CVP  C34  H31  single    0.970  0.020  1.090
 CVP  C34  H32  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
 CVP  C8   C1   N2   124.95  3.000
 CVP  C8   C1   C12  118.36  3.000
 CVP  N2   C1   C12  116.68  3.000
 CVP  O5   C3   N4   122.67  3.000
 CVP  O5   C3   N2   123.99  3.000
 CVP  N4   C3   N2   113.33  3.000
 CVP  H1   C11  C10  119.94  3.000
 CVP  H1   C11  C12  118.95  3.000
 CVP  C10  C11  C12  121.12  3.000
 CVP  H2   C12  C11  119.30  3.000
 CVP  H2   C12  C1   119.77  3.000
 CVP  C11  C12  C1   120.93  3.000
 CVP  H3   C13  N14  116.48  3.000
 CVP  H3   C13  C7   119.57  3.000
 CVP  N14  C13  C7   123.96  3.000
 CVP  H4   C15  N14  116.56  3.000
 CVP  H4   C15  C16  120.28  3.000
 CVP  N14  C15  C16  123.16  3.000
 CVP  H5   C16  C17  121.23  3.000
 CVP  H5   C16  C15  120.35  3.000
 CVP  C17  C16  C15  118.42  3.000
 CVP  H6   C17  C7   120.30  3.000
 CVP  H6   C17  C16  120.49  3.000
 CVP  C7   C17  C16  119.20  3.000
 CVP  O22  C20  N19  123.54  3.000
 CVP  O22  C20  C21  121.13  3.000
 CVP  N19  C20  C21  115.33  3.000
 CVP  C27  C21  C23  118.78  3.000
 CVP  C23  C21  C20  118.72  3.000
 CVP  C27  C21  C20  122.48  3.000
 CVP  H9   C23  C24  119.63  3.000
 CVP  H9   C23  C21  119.95  3.000
 CVP  C24  C23  C21  120.41  3.000
 CVP  H10  C24  C25  119.66  3.000
 CVP  H10  C24  C23  119.36  3.000
 CVP  C25  C24  C23  120.98  3.000
 CVP  C28  C25  C26  120.82  3.000
 CVP  C28  C25  C24  120.66  3.000
 CVP  C26  C25  C24  118.48  3.000
 CVP  H11  C26  C27  119.86  3.000
 CVP  H11  C26  C25  119.37  3.000
 CVP  C27  C26  C25  120.77  3.000
 CVP  H12  C27  C26  118.64  3.000
 CVP  H12  C27  C21  120.77  3.000
 CVP  C26  C27  C21  120.57  3.000
 CVP  H14  C28  H13  105.80  3.000
 CVP  H14  C28  N29  112.40  3.000
 CVP  H13  C28  N29  107.99  3.000
 CVP  H14  C28  C25  109.39  3.000
 CVP  H13  C28  C25  108.05  3.000
 CVP  N29  C28  C25  112.87  3.000
 CVP  H16  C30  H15  106.94  3.000
 CVP  H16  C30  C31  109.10  3.000
 CVP  H15  C30  C31  109.71  3.000
 CVP  H16  C30  N29  111.66  3.000
 CVP  H15  C30  N29  109.00  3.000
 CVP  C31  C30  N29  110.36  3.000
 CVP  H17  N2   C3   116.65  3.000
 CVP  H17  N2   C1   114.35  3.000
 CVP  C3   N2   C1   128.78  3.000
 CVP  H18  N4   C6   116.62  3.000
 CVP  H18  N4   C3   119.39  3.000
 CVP  C6   N4   C3   121.24  3.000
 CVP  H20  C6   H19  107.02  3.000
 CVP  H20  C6   C7   109.68  3.000
 CVP  H19  C6   C7   109.81  3.000
 CVP  H20  C6   N4   111.61  3.000
 CVP  H19  C6   N4   108.90  3.000
 CVP  C7   C6   N4   109.78  3.000
 CVP  C6   C7   C17  121.99  3.000
 CVP  C6   C7   C13  120.57  3.000
 CVP  C17  C7   C13  117.43  3.000
 CVP  H21  C8   C9   119.24  3.000
 CVP  H21  C8   C1   120.95  3.000
 CVP  C9   C8   C1   119.81  3.000
 CVP  H22  C9   C10  119.66  3.000
 CVP  H22  C9   C8   118.27  3.000
 CVP  C10  C9   C8   122.07  3.000
 CVP  C9   C10  C18  121.00  3.000
 CVP  C9   C10  C11  117.71  3.000
 CVP  C18  C10  C11  121.28  3.000
 CVP  C15  N14  C13  117.83  3.000
 CVP  H23  N19  C20  118.88  3.000
 CVP  H23  N19  C18  116.52  3.000
 CVP  C20  N19  C18  124.60  3.000
 CVP  C34  N29  C30  110.78  3.000
 CVP  C30  N29  C28  112.08  3.000
 CVP  C34  N29  C28  112.19  3.000
 CVP  H26  C31  H25  107.04  3.000
 CVP  H26  C31  N32  109.25  3.000
 CVP  H25  C31  N32  108.30  3.000
 CVP  H26  C31  C30  109.61  3.000
 CVP  H25  C31  C30  108.96  3.000
 CVP  N32  C31  C30  113.47  3.000
 CVP  H27  N32  C33  108.86  3.000
 CVP  H27  N32  C31  108.80  3.000
 CVP  C33  N32  C31  110.39  3.000
 CVP  H30  C33  H29  107.09  3.000
 CVP  H30  C33  C34  109.68  3.000
 CVP  H29  C33  C34  108.84  3.000
 CVP  H30  C33  N32  109.21  3.000
 CVP  H29  C33  N32  108.26  3.000
 CVP  C34  C33  N32  113.55  3.000
 CVP  H32  C34  H31  106.76  3.000
 CVP  H32  C34  C33  109.45  3.000
 CVP  H31  C34  C33  109.39  3.000
 CVP  H32  C34  N29  109.50  3.000
 CVP  H31  C34  N29  111.18  3.000
 CVP  C33  C34  N29  110.47  3.000
 CVP  H8   C18  H7   107.06  3.000
 CVP  H8   C18  N19  109.33  3.000
 CVP  H7   C18  N19  107.88  3.000
 CVP  H8   C18  C10  109.92  3.000
 CVP  H7   C18  C10  110.95  3.000
 CVP  N19  C18  C10  111.56  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
 CVP  CONST_01  C10  C11  C12  C1      0.00   0.0  0
 CVP  CONST_02  C10  C9   C8   C1      0.00   0.0  0
 CVP  CONST_03  C8   C1   C12  C11     0.00   0.0  0
 CVP  CONST_04  C8   C9   C10  C11     0.00   0.0  0
 CVP  CONST_05  C9   C10  C11  C12     0.00   0.0  0
 CVP  CONST_06  C9   C8   C1   C12     0.00   0.0  0
 CVP  CONST_07  C16  C15  N14  C13     0.00   0.0  0
 CVP  CONST_08  C16  C17  C7   C13     0.00   0.0  0
 CVP  CONST_09  C7   C17  C16  C15     0.00   0.0  0
 CVP  CONST_10  C7   C13  N14  C15     0.00   0.0  0
 CVP  CONST_11  N14  C15  C16  C17     0.00   0.0  0
 CVP  CONST_12  N14  C13  C7   C17     0.00   0.0  0
 CVP  CONST_13  C25  C26  C27  C21     0.00   0.0  0
 CVP  CONST_14  C25  C24  C23  C21     0.00   0.0  0
 CVP  CONST_15  C26  C27  C21  C23     0.00   0.0  0
 CVP  CONST_16  C26  C25  C24  C23     0.00   0.0  0
 CVP  CONST_17  C27  C26  C25  C24     0.00   0.0  0
 CVP  CONST_18  C27  C21  C23  C24     0.00   0.0  0
 CVP  CONST_19  N2   C1   C12  C11   180.00   0.0  0
 CVP  CONST_20  C18  C10  C11  C12   180.00   0.0  0
 CVP  CONST_21  C6   C7   C17  C16   180.00   0.0  0
 CVP  CONST_22  C8   C9   C10  C18   180.00   0.0  0
 CVP  CONST_23  C26  C27  C21  C20   180.00   0.0  0
 CVP  CONST_24  C24  C23  C21  C20   180.00   0.0  0
 CVP  CONST_25  C28  C25  C24  C23   180.00   0.0  0
 CVP  CONST_26  C28  C25  C26  C27   180.00   0.0  0
 CVP  CONST_27  C9   C8   C1   N2    180.00   0.0  0
 CVP  CONST_28  N14  C13  C7   C6    180.00   0.0  0
 CVP  CONST_29  H1   C11  C12  C1    180.00   0.0  0
 CVP  CONST_30  H22  C9   C8   C1    180.00   0.0  0
 CVP  CONST_31  H21  C8   C1   C12   180.00   0.0  0
 CVP  CONST_32  H4   C15  N14  C13   180.00   0.0  0
 CVP  CONST_33  H6   C17  C7   C13   180.00   0.0  0
 CVP  CONST_34  H3   C13  N14  C15   180.00   0.0  0
 CVP  CONST_35  H11  C26  C27  C21   180.00   0.0  0
 CVP  CONST_36  H10  C24  C23  C21   180.00   0.0  0
 CVP  CONST_37  H12  C27  C21  C23   180.00   0.0  0
 CVP  CONST_38  H9   C23  C24  C25   180.00   0.0  0
 CVP  CONST_39  H5   C16  C17  C7    180.00   0.0  0
 CVP  CONST_40  H2   C12  C1   C8    180.00   0.0  0
 CVP  CONST_41  C12  C1   N2   C3    180.00   0.0  0
 CVP  CONST_42  C8   C1   N2   C3      0.00   0.0  0
 CVP  CONST_43  H17  N2   C1   C12     0.00   0.0  0
 CVP  CONST_44  O5   C3   N2   C1      0.00   0.0  0
 CVP  CONST_45  C21  C20  N19  C18   180.00   0.0  0
 CVP  CONST_46  N4   C3   N2   C1    180.00   0.0  0
 CVP  CONST_47  H23  N19  C20  C21     0.00   0.0  0
 CVP  CONST_48  O22  C20  N19  C18     0.00   0.0  0
 CVP  CONST_49  C6   N4   C3   O5      0.00   0.0  0
 CVP  CONST_50  C6   N4   C3   N2    180.00   0.0  0
 CVP  CONST_51  H18  N4   C3   O5    180.00   0.0  0
 CVP  Var_01    C33  C34  N29  C30   -57.13  30.0  1
 CVP  Var_02    C33  N32  C31  C30    51.52  30.0  1
 CVP  Var_03    N32  C33  C34  N29    54.80  30.0  1
 CVP  Var_04    N32  C31  C30  N29   -55.25  30.0  1
 CVP  Var_05    C34  C33  N32  C31   -51.29  30.0  1
 CVP  Var_06    C34  N29  C30  C31    57.33  30.0  1
 CVP  Var_07    N29  C28  C25  C24   146.16  30.0  2
 CVP  Var_08    N19  C18  C10  C11   109.66  30.0  2
 CVP  Var_09    N4   C6   C7   C13    73.13  30.0  2
 CVP  Var_10    N19  C20  C21  C23  -149.56  30.0  2
 CVP  Var_11    C7   C6   N4   C3   -164.28  30.0  1
 CVP  Var_12    C10  C18  N19  C20   116.47  30.0  1

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
 CVP  plan-1  C1   0.020
 CVP  plan-1  C11  0.020
 CVP  plan-1  C12  0.020
 CVP  plan-1  N2   0.020
 CVP  plan-1  C8   0.020
 CVP  plan-1  C9   0.020
 CVP  plan-1  C10  0.020
 CVP  plan-1  H1   0.020
 CVP  plan-1  H2   0.020
 CVP  plan-1  H21  0.020
 CVP  plan-1  H22  0.020
 CVP  plan-1  C18  0.020
 CVP  plan-2  C13  0.020
 CVP  plan-2  C15  0.020
 CVP  plan-2  C16  0.020
 CVP  plan-2  C17  0.020
 CVP  plan-2  C6   0.020
 CVP  plan-2  C7   0.020
 CVP  plan-2  N14  0.020
 CVP  plan-2  H3   0.020
 CVP  plan-2  H4   0.020
 CVP  plan-2  H5   0.020
 CVP  plan-2  H6   0.020
 CVP  plan-3  C20  0.020
 CVP  plan-3  C21  0.020
 CVP  plan-3  C23  0.020
 CVP  plan-3  C24  0.020
 CVP  plan-3  C25  0.020
 CVP  plan-3  C26  0.020
 CVP  plan-3  C27  0.020
 CVP  plan-3  C28  0.020
 CVP  plan-3  H9   0.020
 CVP  plan-3  H10  0.020
 CVP  plan-3  H11  0.020
 CVP  plan-3  H12  0.020
 CVP  plan-4  C1   0.020
 CVP  plan-4  C3   0.020
 CVP  plan-4  N2   0.020
 CVP  plan-4  N4   0.020
 CVP  plan-4  O5   0.020
 CVP  plan-4  C6   0.020
 CVP  plan-4  H17  0.020
 CVP  plan-4  H18  0.020
 CVP  plan-5  C20  0.020
 CVP  plan-5  C21  0.020
 CVP  plan-5  N19  0.020
 CVP  plan-5  O22  0.020
 CVP  plan-5  H23  0.020
 CVP  plan-5  C18  0.020

