# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Jun  2 00:12:57 2020
#   Inital geometry file: a 164 line input string
#   Ligand name: (2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclobutylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(Cc1ccccc1C(=O)NCC2CCC2)Cc3ccc4O[C@@H](CCC(O)=O)COc4c3C(O)=O
#
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
 VL4  VL4  '(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclobutylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid'  ligand  68  36  .  2022-09-22  2022-11-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_VL4
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
 VL4  C1    C  CR16  0  -0.256  -6.4887  -1.9297   1.5127
 VL4  C2    C  CR16  0  -0.234  -5.9942  -3.2172   1.3938
 VL4  C3    C  CR16  0  -0.278  -5.8465  -0.8943   0.8525
 VL4  C4    C  CR16  0  -0.297  -4.8755  -3.4495   0.6074
 VL4  C5    C  CR16  0  -0.337   1.7830  -2.9018  -0.8940
 VL4  C6    C  CR16  0  -0.352   3.0097  -2.3017  -0.6550
 VL4  C7    C  CR6   0  -0.067  -4.7150  -1.1203   0.0664
 VL4  C8    C  CR6   0  -0.179   0.7245  -0.7548  -0.9336
 VL4  C9    C  CR6   0   0.102  -4.2220  -2.4273  -0.0763
 VL4  C10   C  CR6   0   0.107   0.6290  -2.1437  -1.0376
 VL4  C11   C  CR6   0   0.310   3.1036  -0.9237  -0.5499
 VL4  C12   C  CR6   0   0.338   1.9506  -0.1445  -0.6865
 VL4  C15   C  C     0   0.551  -4.1285   0.0568  -0.6474
 VL4  C17   C  C     0   0.555   8.0622   1.4025   0.8434
 VL4  C18   C  C     0  -0.451  -2.5954   5.0323   1.5540
 VL4  C19   C  C     0  -0.434  -3.2256   4.9409   0.1509
 VL4  C20   C  C     0  -0.447  -2.7214   3.5013   1.6662
 VL4  C21   C  CH2   0  -0.185   3.2987   1.7595  -0.7260
 VL4  C22   C  C     0  -0.296  -3.7668   3.5495   0.5315
 VL4  C23   C  CH1   0  -0.020   4.2848   0.9888   0.1276
 VL4  C24   C  CH2   0  -0.346  -3.0311  -2.8130  -0.9198
 VL4  C25   C  CH2   0  -0.348  -0.6941  -2.8146  -1.2951
 VL4  C26   C  CH3   0  -0.518  -1.5040  -2.7169   0.9547
 VL4  C28   C  CH2   0  -0.244  -3.7331   2.4742  -0.5294
 VL4  C29   C  CH2   0  -0.460   5.6855   1.5543   0.0193
 VL4  N30   N  NH1   0  -0.626  -4.1036   1.1948   0.0450
 VL4  N31   N  NT    0  -0.404  -1.7512  -2.3351  -0.4205
 VL4  O32   O  O     0  -0.430  -0.8646   0.8107  -0.1230
 VL4  O33   O  O     0  -0.444   8.3758   2.3815   0.2133
 VL4  O34   O  O     0  -0.538  -3.7543  -0.0037  -1.8231
 VL4  O35   O  OH1   0  -0.625  -1.1025  -0.0148  -2.1914
 VL4  O36   O  OH1   0  -0.596   8.9167   0.7208   1.5996
 VL4  O37   O  O2    0  -0.472   1.9985   1.2026  -0.6131
 VL4  O38   O  O2    0  -0.487   4.3128  -0.3669  -0.3100
 VL4  H1    H  HCR6  0   0.264  -7.3701  -1.7282   2.1065
 VL4  H2    H  HCR6  0   0.264  -6.4760  -4.0405   1.9046
 VL4  H3    H  HCR6  0   0.265  -6.2575   0.1041   0.9328
 VL4  H4    H  HCR6  0   0.258  -4.4954  -4.4597   0.5174
 VL4  H5    H  HCR6  0   0.255   1.7229  -3.9813  -0.9512
 VL4  H6    H  HCR6  0   0.269   3.9027  -2.9029  -0.5387
 VL4  H241  H  HCH2  0   0.215  -3.0337  -3.9132  -0.9927
 VL4  H242  H  HCH2  0   0.258  -3.1559  -2.4373  -1.9359
 VL4  H251  H  HCH2  0   0.258  -0.9983  -2.6285  -2.3282
 VL4  H252  H  HCH2  0   0.223  -0.5589  -3.9056  -1.2075
 VL4  H30   H  HNH1  0   0.410  -4.3220   1.1673   1.0281
 VL4  H35   H  HOH1  0   0.490  -2.0545   0.2372  -2.1177
 VL4  H271  H  HCH2  0   0.289   6.7669  -0.2455   0.5697
 VL4  H272  H  HCH2  0   0.283   6.3546   0.7733   1.9237
 VL4  H36   H  HOH1  0   0.480   9.7940   1.1302   1.5606
 VL4  H181  H  H     0   0.229  -1.5979   5.4645   1.6332
 VL4  H182  H  H     0   0.226  -3.2519   5.5457   2.2576
 VL4  H191  H  H     0   0.233  -3.9495   5.7030  -0.1379
 VL4  H192  H  H     0   0.224  -2.4628   4.8697  -0.6274
 VL4  H201  H  H     0   0.234  -1.8122   2.9944   1.3377
 VL4  H202  H  H     0   0.232  -3.0274   3.0820   2.6254
 VL4  H22   H  H     0   0.245  -4.7770   3.6395   0.9445
 VL4  H211  H  HCH2  0   0.263   3.2269   2.7931  -0.3908
 VL4  H212  H  HCH2  0   0.241   3.6209   1.7549  -1.7735
 VL4  H23   H  HCH1  0   0.253   3.9509   1.0190   1.1740
 VL4  H281  H  HCH2  0   0.244  -4.4210   2.7260  -1.3421
 VL4  H282  H  HCH2  0   0.237  -2.7309   2.4137  -0.9560
 VL4  H291  H  HCH2  0   0.249   6.0011   1.5502  -1.0271
 VL4  H292  H  HCH2  0   0.255   5.6422   2.5993   0.3333
 VL4  H261  H  HCH3  0   0.194  -1.4919  -3.8076   1.1037
 VL4  H262  H  HCH3  0   0.242  -0.5403  -2.3246   1.2791
 VL4  H263  H  HCH3  0   0.241  -2.2643  -2.2957   1.6111
 VL4  C16   C  C     0   0.472  -0.5017   0.0910  -1.0201
 VL4  C27   C  CH2   0  -0.584   6.6854   0.7991   0.8805

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
 VL4  C1   C2    aromatic  1.384  0.020  1.384
 VL4  C1   C3    aromatic  1.386  0.020  1.386
 VL4  C2   C4    aromatic  1.387  0.020  1.387
 VL4  C3   C7    aromatic  1.396  0.020  1.396
 VL4  C4   C9    aromatic  1.393  0.020  1.393
 VL4  C5   C6    aromatic  1.386  0.020  1.386
 VL4  C5   C10   aromatic  1.388  0.020  1.388
 VL4  C6   C11   aromatic  1.385  0.020  1.385
 VL4  C7   C9    aromatic  1.404  0.020  1.404
 VL4  C7   C15   single    1.496  0.020  1.496
 VL4  C8   C10   aromatic  1.396  0.020  1.396
 VL4  C8   C12   aromatic  1.392  0.020  1.392
 VL4  C8   C16   single    1.492  0.020  1.492
 VL4  C9   C24   single    1.509  0.020  1.509
 VL4  C10  C25   single    1.506  0.020  1.506
 VL4  C11  C12   aromatic  1.398  0.020  1.398
 VL4  C11  O38   single    1.353  0.020  1.353
 VL4  C12  O37   single    1.350  0.020  1.350
 VL4  C15  N30   single    1.332  0.020  1.332
 VL4  C15  O34   double    1.235  0.020  1.235
 VL4  C16  O32   double    1.206  0.020  1.206
 VL4  C16  O35   single    1.321  0.020  1.321
 VL4  C17  C27   single    1.504  0.020  1.504
 VL4  C17  O33   double    1.206  0.020  1.206
 VL4  C17  O36   single    1.329  0.020  1.329
 VL4  C18  C19   single    1.541  0.020  1.541
 VL4  C18  C20   single    1.540  0.020  1.540
 VL4  C19  C22   single    1.541  0.020  1.541
 VL4  C20  C22   single    1.544  0.020  1.544
 VL4  C21  C23   single    1.515  0.020  1.515
 VL4  C21  O37   single    1.419  0.020  1.419
 VL4  C22  C28   single    1.511  0.020  1.511
 VL4  C23  C29   single    1.514  0.020  1.514
 VL4  C23  O38   single    1.425  0.020  1.425
 VL4  C24  N31   single    1.455  0.020  1.455
 VL4  C25  N31   single    1.453  0.020  1.453
 VL4  C26  N31   single    1.448  0.020  1.448
 VL4  C27  C29   single    1.520  0.020  1.520
 VL4  C28  N30   single    1.451  0.020  1.451
 VL4  C1   H1    single    0.930  0.020  1.080
 VL4  C2   H2    single    0.930  0.020  1.080
 VL4  C3   H3    single    0.930  0.020  1.080
 VL4  C4   H4    single    0.930  0.020  1.080
 VL4  C5   H5    single    0.930  0.020  1.080
 VL4  C6   H6    single    0.930  0.020  1.080
 VL4  C24  H241  single    0.970  0.020  1.090
 VL4  C24  H242  single    0.970  0.020  1.090
 VL4  C25  H251  single    0.970  0.020  1.090
 VL4  C25  H252  single    0.970  0.020  1.090
 VL4  N30  H30   single    0.860  0.020  1.020
 VL4  O35  H35   single    0.850  0.020  0.980
 VL4  C27  H271  single    0.970  0.020  1.090
 VL4  C27  H272  single    0.970  0.020  1.090
 VL4  O36  H36   single    0.850  0.020  0.980
 VL4  C18  H181  single    0.970  0.020  1.090
 VL4  C18  H182  single    0.970  0.020  1.090
 VL4  C19  H191  single    0.970  0.020  1.090
 VL4  C19  H192  single    0.970  0.020  1.090
 VL4  C20  H201  single    0.970  0.020  1.090
 VL4  C20  H202  single    0.970  0.020  1.090
 VL4  C22  H22   single    0.970  0.020  1.090
 VL4  C21  H211  single    0.970  0.020  1.090
 VL4  C21  H212  single    0.970  0.020  1.090
 VL4  C23  H23   single    0.970  0.020  1.090
 VL4  C28  H281  single    0.970  0.020  1.090
 VL4  C28  H282  single    0.970  0.020  1.090
 VL4  C29  H291  single    0.970  0.020  1.090
 VL4  C29  H292  single    0.970  0.020  1.090
 VL4  C26  H261  single    0.970  0.020  1.090
 VL4  C26  H262  single    0.970  0.020  1.090
 VL4  C26  H263  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
 VL4  H1    C1   C3    120.00  3.000
 VL4  H1    C1   C2    120.76  3.000
 VL4  C3    C1   C2    119.24  3.000
 VL4  H2    C2   C4    119.96  3.000
 VL4  H2    C2   C1    120.53  3.000
 VL4  C4    C2   C1    119.51  3.000
 VL4  H3    C3   C7    119.91  3.000
 VL4  H3    C3   C1    118.54  3.000
 VL4  C7    C3   C1    121.52  3.000
 VL4  H4    C4   C9    118.63  3.000
 VL4  H4    C4   C2    119.10  3.000
 VL4  C9    C4   C2    122.27  3.000
 VL4  H5    C5   C10   119.53  3.000
 VL4  H5    C5   C6    119.33  3.000
 VL4  C10   C5   C6    121.12  3.000
 VL4  H6    C6   C11   119.23  3.000
 VL4  H6    C6   C5    120.52  3.000
 VL4  C11   C6   C5    120.25  3.000
 VL4  C15   C7   C9    123.10  3.000
 VL4  C15   C7   C3    117.32  3.000
 VL4  C9    C7   C3    119.50  3.000
 VL4  C16   C8   C12   119.06  3.000
 VL4  C16   C8   C10   120.23  3.000
 VL4  C12   C8   C10   120.65  3.000
 VL4  C24   C9   C7    124.87  3.000
 VL4  C24   C9   C4    117.19  3.000
 VL4  C7    C9   C4    117.94  3.000
 VL4  C25   C10  C8    121.07  3.000
 VL4  C25   C10  C5    120.32  3.000
 VL4  C8    C10  C5    118.61  3.000
 VL4  O38   C11  C12   121.67  3.000
 VL4  O38   C11  C6    118.92  3.000
 VL4  C12   C11  C6    119.41  3.000
 VL4  O37   C12  C11   121.44  3.000
 VL4  O37   C12  C8    118.59  3.000
 VL4  C11   C12  C8    119.96  3.000
 VL4  O34   C15  N30   122.06  3.000
 VL4  O34   C15  C7    122.29  3.000
 VL4  N30   C15  C7    115.55  3.000
 VL4  O36   C17  O33   123.13  3.000
 VL4  O36   C17  C27   111.64  3.000
 VL4  O33   C17  C27   125.23  3.000
 VL4  H182  C18  H181  108.50  3.000
 VL4  H182  C18  C20   111.81  3.000
 VL4  H181  C18  C20   117.62  3.000
 VL4  H182  C18  C19   111.67  3.000
 VL4  H181  C18  C19   117.65  3.000
 VL4  C20   C18  C19    88.51  3.000
 VL4  H192  C19  H191  108.70  3.000
 VL4  H192  C19  C22   111.25  3.000
 VL4  H191  C19  C22   117.62  3.000
 VL4  H192  C19  C18   111.54  3.000
 VL4  H191  C19  C18   118.13  3.000
 VL4  C22   C19  C18    88.42  3.000
 VL4  H202  C20  H201  108.66  3.000
 VL4  H202  C20  C22   117.93  3.000
 VL4  H201  C20  C22   110.94  3.000
 VL4  H202  C20  C18   117.98  3.000
 VL4  H201  C20  C18   111.81  3.000
 VL4  C22   C20  C18    88.33  3.000
 VL4  H212  C21  H211  108.52  3.000
 VL4  H212  C21  O37   110.10  3.000
 VL4  H211  C21  O37   106.72  3.000
 VL4  H212  C21  C23   110.19  3.000
 VL4  H211  C21  C23   110.64  3.000
 VL4  O37   C21  C23   110.61  3.000
 VL4  H22   C22  C28   110.12  3.000
 VL4  H22   C22  C20   110.49  3.000
 VL4  C28   C22  C20   118.61  3.000
 VL4  H22   C22  C19   110.06  3.000
 VL4  C28   C22  C19   117.48  3.000
 VL4  C20   C22  C19    88.39  3.000
 VL4  H23   C23  O38   108.94  3.000
 VL4  H23   C23  C29   109.81  3.000
 VL4  O38   C23  C29   108.37  3.000
 VL4  H23   C23  C21   108.95  3.000
 VL4  O38   C23  C21   108.90  3.000
 VL4  C29   C23  C21   111.83  3.000
 VL4  H242  C24  H241  106.37  3.000
 VL4  H242  C24  N31   107.90  3.000
 VL4  H241  C24  N31   110.65  3.000
 VL4  H242  C24  C9    110.01  3.000
 VL4  H241  C24  C9    106.86  3.000
 VL4  N31   C24  C9    114.74  3.000
 VL4  H252  C25  H251  106.12  3.000
 VL4  H252  C25  N31   111.58  3.000
 VL4  H251  C25  N31   108.07  3.000
 VL4  H252  C25  C10   108.63  3.000
 VL4  H251  C25  C10   109.29  3.000
 VL4  N31   C25  C10   112.90  3.000
 VL4  H263  C26  H262  107.38  3.000
 VL4  H263  C26  H261  108.01  3.000
 VL4  H262  C26  H261  107.85  3.000
 VL4  H263  C26  N31   110.55  3.000
 VL4  H262  C26  N31   109.79  3.000
 VL4  H261  C26  N31   113.05  3.000
 VL4  H282  C28  H281  107.46  3.000
 VL4  H282  C28  N30   109.92  3.000
 VL4  H281  C28  N30   109.66  3.000
 VL4  H282  C28  C22   109.55  3.000
 VL4  H281  C28  C22   110.10  3.000
 VL4  N30   C28  C22   110.12  3.000
 VL4  H292  C29  H291  106.88  3.000
 VL4  H292  C29  C27   109.79  3.000
 VL4  H291  C29  C27   110.52  3.000
 VL4  H292  C29  C23   107.46  3.000
 VL4  H291  C29  C23   109.52  3.000
 VL4  C27   C29  C23   112.48  3.000
 VL4  H30   N30  C28   117.77  3.000
 VL4  H30   N30  C15   118.67  3.000
 VL4  C28   N30  C15   123.53  3.000
 VL4  C26   N31  C25   111.12  3.000
 VL4  C26   N31  C24   112.92  3.000
 VL4  C25   N31  C24   108.96  3.000
 VL4  H35   O35  C16   110.60  3.000
 VL4  H36   O36  C17   110.03  3.000
 VL4  C21   O37  C12   114.83  3.000
 VL4  C23   O38  C11   115.37  3.000
 VL4  O35   C16  O32   124.79  3.000
 VL4  O35   C16  C8    112.33  3.000
 VL4  O32   C16  C8    122.85  3.000
 VL4  H272  C27  H271  105.72  3.000
 VL4  H272  C27  C29   110.65  3.000
 VL4  H271  C27  C29   111.27  3.000
 VL4  H272  C27  C17   108.04  3.000
 VL4  H271  C27  C17   107.95  3.000
 VL4  C29   C27  C17   112.88  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
 VL4  CONST_01  C9    C4   C2   C1      0.00   0.0  0
 VL4  CONST_02  C9    C7   C3   C1      0.00   0.0  0
 VL4  CONST_03  C7    C3   C1   C2      0.00   0.0  0
 VL4  CONST_04  C7    C9   C4   C2      0.00   0.0  0
 VL4  CONST_05  C4    C2   C1   C3      0.00   0.0  0
 VL4  CONST_06  C4    C9   C7   C3      0.00   0.0  0
 VL4  CONST_07  C12   C11  C6   C5      0.00   0.0  0
 VL4  CONST_08  C12   C8   C10  C5      0.00   0.0  0
 VL4  CONST_09  C8    C10  C5   C6      0.00   0.0  0
 VL4  CONST_10  C8    C12  C11  C6      0.00   0.0  0
 VL4  CONST_11  C11   C6   C5   C10     0.00   0.0  0
 VL4  CONST_12  C11   C12  C8   C10     0.00   0.0  0
 VL4  CONST_13  C15   C7   C3   C1    180.00   0.0  0
 VL4  CONST_14  C24   C9   C4   C2    180.00   0.0  0
 VL4  CONST_15  C24   C9   C7   C3    180.00   0.0  0
 VL4  CONST_16  C15   C7   C9   C4    180.00   0.0  0
 VL4  CONST_17  C16   C8   C10  C5    180.00   0.0  0
 VL4  CONST_18  C25   C10  C5   C6    180.00   0.0  0
 VL4  CONST_19  C16   C8   C12  C11   180.00   0.0  0
 VL4  CONST_20  C25   C10  C8   C12   180.00   0.0  0
 VL4  CONST_21  O37   C12  C8   C16     0.00   0.0  0
 VL4  CONST_22  H4    C4   C2   C1    180.00   0.0  0
 VL4  CONST_23  H3    C3   C1   C2    180.00   0.0  0
 VL4  CONST_24  H2    C2   C1   C3    180.00   0.0  0
 VL4  CONST_25  H1    C1   C2   C4    180.00   0.0  0
 VL4  CONST_26  H5    C5   C10  C8    180.00   0.0  0
 VL4  CONST_27  H6    C6   C5   C10   180.00   0.0  0
 VL4  CONST_28  C28   N30  C15  C7    180.00   0.0  0
 VL4  CONST_29  H30   N30  C15  C7      0.00   0.0  0
 VL4  CONST_31  O34   C15  N30  C28     0.00   0.0  0
 VL4  CONST_32  H36   O36  C17  C27   180.00   0.0  0
 VL4  Var_01    C23   C21  O37  C12   -44.90  30.0  1
 VL4  Var_02    C22   C20  C18  C19   -18.91  30.0  1
 VL4  Var_03    N30   C15  C7   C3     40.04  30.0  2
 VL4  Var_04    N31   C24  C9   C4   -111.37  30.0  2
 VL4  Var_05    N31   C25  C10  C5    131.42  30.0  2
 VL4  Var_06    O32   C16  C8   C10   119.32  30.0  2
 VL4  Var_07    C25   N31  C24  C9    178.00  30.0  3
 VL4  Var_08    C24   N31  C25  C10   167.91  30.0  3
 VL4  Var_09    C22   C28  N30  C15  -178.23  30.0  1
 VL4  Var_10    C23   C29  C27  C17  -176.60  30.0  3
 VL4  Var_11    O33   C17  C27  C29     0.21  30.0  2
 VL4  Var_12    H261  C26  N31  C24    60.15  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
 VL4  chir_01  C22  C19  C20  C28  positiv
 VL4  chir_02  C23  C21  C29  O38  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
 VL4  plan-1  C1   0.020
 VL4  plan-1  C2   0.020
 VL4  plan-1  C3   0.020
 VL4  plan-1  C4   0.020
 VL4  plan-1  C7   0.020
 VL4  plan-1  C9   0.020
 VL4  plan-1  C15  0.020
 VL4  plan-1  C24  0.020
 VL4  plan-1  H1   0.020
 VL4  plan-1  H2   0.020
 VL4  plan-1  H3   0.020
 VL4  plan-1  H4   0.020
 VL4  plan-2  C5   0.020
 VL4  plan-2  C6   0.020
 VL4  plan-2  C8   0.020
 VL4  plan-2  C10  0.020
 VL4  plan-2  C11  0.020
 VL4  plan-2  C12  0.020
 VL4  plan-2  C25  0.020
 VL4  plan-2  O37  0.020
 VL4  plan-2  O38  0.020
 VL4  plan-2  H5   0.020
 VL4  plan-2  H6   0.020
 VL4  plan-2  C16  0.020
 VL4  plan-3  C7   0.020
 VL4  plan-3  C15  0.020
 VL4  plan-3  C28  0.020
 VL4  plan-3  N30  0.020
 VL4  plan-3  O34  0.020
 VL4  plan-3  H30  0.020
 VL4  plan-4  C17  0.020
 VL4  plan-4  O33  0.020
 VL4  plan-4  O36  0.020
 VL4  plan-4  H36  0.020
 VL4  plan-4  C27  0.020
 VL4  plan-5  C8   0.020
 VL4  plan-5  O32  0.020
 VL4  plan-5  O35  0.020
 VL4  plan-5  H35  0.020
 VL4  plan-5  C16  0.020

