# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version 1.18.1-3865-
#   - file written: Sun Jul  5 18:23:27 2020
#   Inital geometry file: a 184 line input string
#   Ligand name: (3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CC(C)[C@H]1OC(=O)C2=CCCN2C(=O)c3coc(CC(=O)C[C@H](O)\C=C(C)\C=C\CNC(=O)\C=C\[C@H]1C)n3
#
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
 VIR  VIR  (3R,4R,5E,10E,12E,14S)-14-hydroxy-4,12-dimethyl-3-(1-methylethyl)-8,9,14,15,24,25-hexahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,16,22(4H,17H)-tetrone  ligand  73  38  .  2021-08-24  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as OK
;

data_comp_VIR
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
 VIR  C1    C  CR5   0   0.259  -0.2102   0.6445  -3.0236
 VIR  C10   C  CR5   0   0.450   4.5660  -0.3984   0.1052
 VIR  C12   C  CR15  0   0.005   3.6070   1.2156  -0.9333
 VIR  C13   C  CH2   0  -0.643   5.4167  -0.9877   1.1625
 VIR  C14   C  C     0   0.428   4.8714  -0.7542   2.5751
 VIR  C16   C  CH2   0  -0.610   3.3956  -0.4738   2.6887
 VIR  C17   C  CH1   0   0.003   2.8123  -0.5459   4.0904
 VIR  C19   C  C1    0  -0.295   1.3962  -0.0467   4.0505
 VIR  C2    C  CR15  0  -0.336  -0.4440   1.4238  -4.0785
 VIR  C20   C  C     0   0.066   0.9065   1.0625   4.6171
 VIR  C21   C  CH3   0  -0.735   1.7112   2.0458   5.4194
 VIR  C22   C  C1    0  -0.246  -0.5079   1.4433   4.4493
 VIR  C23   C  C1    0  -0.206  -1.5464   0.6134   4.3727
 VIR  C24   C  CH2   0  -0.354  -2.9663   1.0716   4.2173
 VIR  C26   C  C     0   0.564  -3.3946   1.1112   1.7974
 VIR  C28   C  C1    0  -0.407  -4.0434   0.3696   0.6897
 VIR  C29   C  C1    0  -0.104  -3.8387   0.6885  -0.5853
 VIR  C3    C  CH2   0  -0.470   0.8022   2.1681  -4.4509
 VIR  C30   C  CH1   0  -0.346  -4.4127  -0.0857  -1.7351
 VIR  C31   C  CH3   0  -0.667  -4.9838   0.8492  -2.7985
 VIR  C32   C  CH1   0   0.067  -3.3770  -1.0806  -2.2861
 VIR  C33   C  CH1   0  -0.266  -3.9021  -2.0606  -3.3367
 VIR  C34   C  CH3   0  -0.657  -2.7846  -3.0006  -3.7875
 VIR  C35   C  CH3   0  -0.675  -5.0716  -2.8702  -2.7802
 VIR  C37   C  C     0   0.576  -1.1977  -0.0916  -2.2053
 VIR  C4    C  CH2   0  -0.321   1.6983   1.9634  -3.2181
 VIR  C6    C  C     0   0.467   1.7910  -0.2671  -2.0321
 VIR  C8    C  CR5   0   0.023   3.0197   0.0420  -1.2731
 VIR  N25   N  NH1   0  -0.651  -3.5880   0.5628   3.0131
 VIR  N5    N  NR5   0  -0.566   1.1099   0.7891  -2.5583
 VIR  N9    N  N     0  -0.396   3.6627  -0.9755  -0.6001
 VIR  O11   O  O     0  -0.388   4.5972   0.9380  -0.0669
 VIR  O18   O  OH1   0  -0.670   2.8630  -1.9021   4.4903
 VIR  O27   O  O     0  -0.497  -2.7424   2.1339   1.6295
 VIR  O36   O  O2    0  -0.475  -2.2906  -0.3622  -2.9017
 VIR  O38   O  O     0  -0.423  -1.0302  -0.3500  -1.0426
 VIR  O7    O  O     0  -0.442   1.3705  -1.4066  -2.0835
 VIR  H12   H  HCR5  0   0.316   3.4521   2.2508  -1.1860
 VIR  H131  H  HCH2  0   0.323   5.4433  -2.0697   1.0097
 VIR  H132  H  HCH2  0   0.311   6.4438  -0.6243   1.1096
 VIR  H161  H  HCH2  0   0.296   3.2314   0.5351   2.2932
 VIR  H162  H  HCH2  0   0.282   2.8446  -1.1400   2.0169
 VIR  H17   H  HCH1  0   0.227   3.4216   0.0747   4.7561
 VIR  H19   H  H     0   0.242   0.7249  -0.6540   3.4478
 VIR  HC2   H  HCR5  0   0.281  -1.3939   1.5377  -4.5780
 VIR  H211  H  HCH3  0   0.246   1.2055   2.2795   6.3578
 VIR  H212  H  HCH3  0   0.247   2.7124   1.6952   5.6574
 VIR  H213  H  HCH3  0   0.247   1.8128   2.9879   4.8753
 VIR  H22   H  H     0   0.242  -0.7020   2.5136   4.4201
 VIR  H23   H  H     0   0.245  -1.3955  -0.4607   4.4395
 VIR  H241  H  HCH2  0   0.264  -3.5649   0.7161   5.0579
 VIR  H242  H  HCH2  0   0.252  -3.0196   2.1611   4.2246
 VIR  H28   H  H     0   0.256  -4.6634  -0.4857   0.9435
 VIR  H29   H  H     0   0.252  -3.2162   1.5482  -0.8160
 VIR  HC31  H  HCH2  0   0.271   1.2445   1.7519  -5.3613
 VIR  HC32  H  HCH2  0   0.273   0.6161   3.2246  -4.6393
 VIR  H30   H  HCH1  0   0.265  -5.2259  -0.6946  -1.3328
 VIR  H311  H  HCH3  0   0.244  -5.6827   1.5524  -2.3452
 VIR  H312  H  HCH3  0   0.231  -4.2034   1.4296  -3.2916
 VIR  H313  H  HCH3  0   0.240  -5.5297   0.2999  -3.5656
 VIR  H32   H  HCH1  0   0.253  -2.9874  -1.6619  -1.4446
 VIR  H33   H  HCH1  0   0.238  -4.2531  -1.4998  -4.2091
 VIR  H341  H  HCH3  0   0.233  -3.1798  -3.7585  -4.4646
 VIR  H342  H  HCH3  0   0.236  -1.9869  -2.4777  -4.3131
 VIR  H343  H  HCH3  0   0.218  -2.3423  -3.5194  -2.9333
 VIR  H351  H  HCH3  0   0.223  -4.8040  -3.3562  -1.8388
 VIR  H352  H  HCH3  0   0.235  -5.9592  -2.2633  -2.6026
 VIR  H353  H  HCH3  0   0.241  -5.3550  -3.6541  -3.4831
 VIR  HC41  H  HCH2  0   0.272   2.7385   1.7850  -3.4811
 VIR  HC42  H  HCH2  0   0.265   1.6438   2.8332  -2.5599
 VIR  H25   H  HNH1  0   0.402  -4.1017  -0.3003   3.0808
 VIR  H18'  H  HOH1  0   0.452   2.5472  -1.9562   5.3977
 VIR  O15   O  O     0  -0.385   5.6152  -0.8023   3.5217

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
 VIR  C1   C2    double    1.332  0.020  1.332
 VIR  C1   C37   single    1.479  0.020  1.479
 VIR  C1   N5    single    1.407  0.020  1.407
 VIR  C10  C13   single    1.479  0.020  1.479
 VIR  C10  N9    aromatic  1.283  0.020  1.283
 VIR  C10  O11   aromatic  1.348  0.020  1.348
 VIR  C12  C8    aromatic  1.356  0.020  1.356
 VIR  C12  O11   aromatic  1.345  0.020  1.345
 VIR  C12  H12   single    0.930  0.020  1.080
 VIR  C13  C14   single    1.532  0.020  1.532
 VIR  C13  H131  single    0.970  0.020  1.090
 VIR  C13  H132  single    0.970  0.020  1.090
 VIR  C14  C16   single    1.507  0.020  1.507
 VIR  C14  O15   double    1.205  0.020  1.205
 VIR  C16  C17   single    1.520  0.020  1.520
 VIR  C16  H161  single    0.970  0.020  1.090
 VIR  C16  H162  single    0.970  0.020  1.090
 VIR  C17  C19   single    1.502  0.020  1.502
 VIR  C17  O18   single    1.415  0.020  1.415
 VIR  C17  H17   single    0.970  0.020  1.090
 VIR  C19  C20   double    1.338  0.020  1.338
 VIR  C19  H19   single    0.930  0.020  1.080
 VIR  C2   C3    single    1.499  0.020  1.499
 VIR  C2   HC2   single    0.930  0.020  1.080
 VIR  C20  C21   single    1.503  0.020  1.503
 VIR  C20  C22   single    1.474  0.020  1.474
 VIR  C21  H211  single    0.970  0.020  1.090
 VIR  C21  H212  single    0.970  0.020  1.090
 VIR  C21  H213  single    0.970  0.020  1.090
 VIR  C22  C23   double    1.332  0.020  1.332
 VIR  C22  H22   single    0.930  0.020  1.080
 VIR  C23  C24   single    1.500  0.020  1.500
 VIR  C23  H23   single    0.930  0.020  1.080
 VIR  C24  N25   single    1.448  0.020  1.448
 VIR  C24  H241  single    0.970  0.020  1.090
 VIR  C24  H242  single    0.970  0.020  1.090
 VIR  C26  C28   single    1.483  0.020  1.483
 VIR  C26  N25   single    1.348  0.020  1.348
 VIR  C26  O27   double    1.225  0.020  1.225
 VIR  C28  C29   double    1.330  0.020  1.330
 VIR  C28  H28   single    0.930  0.020  1.080
 VIR  C29  C30   single    1.500  0.020  1.500
 VIR  C29  H29   single    0.930  0.020  1.080
 VIR  C3   C4    single    1.538  0.020  1.538
 VIR  C3   HC31  single    0.970  0.020  1.090
 VIR  C3   HC32  single    0.970  0.020  1.090
 VIR  C30  C31   single    1.527  0.020  1.527
 VIR  C30  C32   single    1.538  0.020  1.538
 VIR  C30  H30   single    0.970  0.020  1.090
 VIR  C31  H311  single    0.970  0.020  1.090
 VIR  C31  H312  single    0.970  0.020  1.090
 VIR  C31  H313  single    0.970  0.020  1.090
 VIR  C32  C33   single    1.530  0.020  1.530
 VIR  C32  O36   single    1.441  0.020  1.441
 VIR  C32  H32   single    0.970  0.020  1.090
 VIR  C33  C34   single    1.528  0.020  1.528
 VIR  C33  C35   single    1.527  0.020  1.527
 VIR  C33  H33   single    0.970  0.020  1.090
 VIR  C34  H341  single    0.970  0.020  1.090
 VIR  C34  H342  single    0.970  0.020  1.090
 VIR  C34  H343  single    0.970  0.020  1.090
 VIR  C35  H351  single    0.970  0.020  1.090
 VIR  C35  H352  single    0.970  0.020  1.090
 VIR  C35  H353  single    0.970  0.020  1.090
 VIR  C37  O36   single    1.324  0.020  1.324
 VIR  C37  O38   double    1.203  0.020  1.203
 VIR  C4   N5    single    1.470  0.020  1.470
 VIR  C4   HC41  single    0.970  0.020  1.090
 VIR  C4   HC42  single    0.970  0.020  1.090
 VIR  C6   C8    single    1.477  0.020  1.477
 VIR  C6   N5    single    1.362  0.020  1.362
 VIR  C6   O7    double    1.216  0.020  1.216
 VIR  C8   N9    aromatic  1.379  0.020  1.379
 VIR  N25  H25   single    0.860  0.020  1.020
 VIR  O18  H18'  single    0.850  0.020  0.980

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
 VIR  N5    C1   C37   119.65  3.000
 VIR  N5    C1   C2    111.49  3.000
 VIR  C37   C1   C2    127.74  3.000
 VIR  O11   C10  N9    113.08  3.000
 VIR  O11   C10  C13   118.22  3.000
 VIR  N9    C10  C13   128.20  3.000
 VIR  H12   C12  O11   117.10  3.000
 VIR  H12   C12  C8    135.33  3.000
 VIR  O11   C12  C8    107.57  3.000
 VIR  H132  C13  H131  107.45  3.000
 VIR  H132  C13  C14   109.22  3.000
 VIR  H131  C13  C14   106.76  3.000
 VIR  H132  C13  C10   111.96  3.000
 VIR  H131  C13  C10   107.96  3.000
 VIR  C14   C13  C10   113.18  3.000
 VIR  O15   C14  C16   123.57  3.000
 VIR  O15   C14  C13   119.91  3.000
 VIR  C16   C14  C13   116.52  3.000
 VIR  H162  C16  H161  105.27  3.000
 VIR  H162  C16  C17   110.11  3.000
 VIR  H161  C16  C17   108.60  3.000
 VIR  H162  C16  C14   109.48  3.000
 VIR  H161  C16  C14   106.91  3.000
 VIR  C17   C16  C14   115.89  3.000
 VIR  H17   C17  O18   110.57  3.000
 VIR  H17   C17  C19   110.63  3.000
 VIR  O18   C17  C19   111.09  3.000
 VIR  H17   C17  C16   108.67  3.000
 VIR  O18   C17  C16   107.00  3.000
 VIR  C19   C17  C16   108.76  3.000
 VIR  H19   C19  C20   118.14  3.000
 VIR  H19   C19  C17   114.27  3.000
 VIR  C20   C19  C17   127.53  3.000
 VIR  HC2   C2   C3    124.37  3.000
 VIR  HC2   C2   C1    125.64  3.000
 VIR  C3    C2   C1    109.96  3.000
 VIR  C22   C20  C21   113.92  3.000
 VIR  C22   C20  C19   121.13  3.000
 VIR  C21   C20  C19   124.92  3.000
 VIR  H213  C21  H212  107.54  3.000
 VIR  H213  C21  H211  106.66  3.000
 VIR  H212  C21  H211  107.91  3.000
 VIR  H213  C21  C20   110.37  3.000
 VIR  H212  C21  C20   113.52  3.000
 VIR  H211  C21  C20   110.55  3.000
 VIR  H22   C22  C23   118.19  3.000
 VIR  H22   C22  C20   115.36  3.000
 VIR  C23   C22  C20   126.42  3.000
 VIR  H23   C23  C24   116.09  3.000
 VIR  H23   C23  C22   120.28  3.000
 VIR  C24   C23  C22   123.63  3.000
 VIR  H242  C24  H241  107.06  3.000
 VIR  H242  C24  N25   109.61  3.000
 VIR  H241  C24  N25   106.90  3.000
 VIR  H242  C24  C23   110.53  3.000
 VIR  H241  C24  C23   109.87  3.000
 VIR  N25   C24  C23   112.66  3.000
 VIR  O27   C26  N25   122.68  3.000
 VIR  O27   C26  C28   123.26  3.000
 VIR  N25   C26  C28   114.06  3.000
 VIR  H28   C28  C29   120.03  3.000
 VIR  H28   C28  C26   117.96  3.000
 VIR  C29   C28  C26   121.94  3.000
 VIR  H29   C29  C30   117.70  3.000
 VIR  H29   C29  C28   118.78  3.000
 VIR  C30   C29  C28   123.51  3.000
 VIR  HC32  C3   HC31  107.10  3.000
 VIR  HC32  C3   C4    111.55  3.000
 VIR  HC31  C3   C4    112.38  3.000
 VIR  HC32  C3   C2    112.50  3.000
 VIR  HC31  C3   C2    110.73  3.000
 VIR  C4    C3   C2    102.67  3.000
 VIR  H30   C30  C32   105.82  3.000
 VIR  H30   C30  C31   108.62  3.000
 VIR  C32   C30  C31   113.48  3.000
 VIR  H30   C30  C29   106.87  3.000
 VIR  C32   C30  C29   110.53  3.000
 VIR  C31   C30  C29   111.16  3.000
 VIR  H313  C31  H312  107.96  3.000
 VIR  H313  C31  H311  107.26  3.000
 VIR  H312  C31  H311  107.67  3.000
 VIR  H313  C31  C30   111.65  3.000
 VIR  H312  C31  C30   111.91  3.000
 VIR  H311  C31  C30   110.19  3.000
 VIR  H32   C32  O36   108.97  3.000
 VIR  H32   C32  C33   108.06  3.000
 VIR  O36   C32  C33   106.55  3.000
 VIR  H32   C32  C30   107.93  3.000
 VIR  O36   C32  C30   109.77  3.000
 VIR  C33   C32  C30   115.42  3.000
 VIR  H33   C33  C35   108.44  3.000
 VIR  H33   C33  C34   108.33  3.000
 VIR  C35   C33  C34   109.96  3.000
 VIR  H33   C33  C32   109.22  3.000
 VIR  C35   C33  C32   110.62  3.000
 VIR  C34   C33  C32   110.22  3.000
 VIR  H343  C34  H342  107.98  3.000
 VIR  H343  C34  H341  107.59  3.000
 VIR  H342  C34  H341  107.43  3.000
 VIR  H343  C34  C33   110.94  3.000
 VIR  H342  C34  C33   112.49  3.000
 VIR  H341  C34  C33   110.22  3.000
 VIR  H353  C35  H352  107.08  3.000
 VIR  H353  C35  H351  107.41  3.000
 VIR  H352  C35  H351  107.86  3.000
 VIR  H353  C35  C33   110.19  3.000
 VIR  H352  C35  C33   112.82  3.000
 VIR  H351  C35  C33   111.23  3.000
 VIR  O38   C37  O36   125.42  3.000
 VIR  O38   C37  C1    123.29  3.000
 VIR  O36   C37  C1    111.22  3.000
 VIR  HC42  C4   HC41  108.91  3.000
 VIR  HC42  C4   N5    110.23  3.000
 VIR  HC41  C4   N5    111.12  3.000
 VIR  HC42  C4   C3    110.37  3.000
 VIR  HC41  C4   C3    112.66  3.000
 VIR  N5    C4   C3    103.47  3.000
 VIR  O7    C6   N5    122.50  3.000
 VIR  O7    C6   C8    120.38  3.000
 VIR  N5    C6   C8    116.88  3.000
 VIR  N9    C8   C6    118.97  3.000
 VIR  N9    C8   C12   108.33  3.000
 VIR  C6    C8   C12   132.10  3.000
 VIR  H25   N25  C26   118.87  3.000
 VIR  H25   N25  C24   117.68  3.000
 VIR  C26   N25  C24   123.08  3.000
 VIR  C6    N5   C4    126.34  3.000
 VIR  C6    N5   C1    121.13  3.000
 VIR  C4    N5   C1    108.01  3.000
 VIR  C8    N9   C10   105.35  3.000
 VIR  C12   O11  C10   105.66  3.000
 VIR  H18'  O18  C17   107.97  3.000
 VIR  C37   O36  C32   119.98  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
 VIR  CONST_01  C12   C8   N9   C10     0.00   0.0  0
 VIR  CONST_02  C8    C12  O11  C10     0.00   0.0  0
 VIR  CONST_03  N9    C10  O11  C12     0.00   0.0  0
 VIR  CONST_04  O11   C10  N9   C8      0.00   0.0  0
 VIR  CONST_05  O11   C12  C8   N9      0.00   0.0  0
 VIR  CONST_06  C8    C6   N5   C1    180.00   0.0  0
 VIR  CONST_07  C28   C26  N25  C24   180.00   0.0  0
 VIR  CONST_09  O7    C6   N5   C1      0.00   0.0  0
 VIR  CONST_10  O27   C26  N25  C24     0.00   0.0  0
 VIR  CONST_12  H12   C12  O11  C10   180.00   0.0  0
 VIR  CONST_13  H25   N25  C26  C28     0.00   0.0  0
 VIR  Var_01    C22   C20  C19  C17   177.92   0.0  0
 VIR  Var_02    C24   C23  C22  C20   179.26   0.0  0
 VIR  Var_03    C30   C29  C28  C26   176.34   0.0  0
 VIR  Var_04    C4    C3   C2   C1    -14.01  30.0  1
 VIR  Var_05    C3    C4   N5   C1    -19.81  30.0  3
 VIR  Var_06    C16   C14  C13  C10    22.62  30.0  1
 VIR  Var_07    N5    C6   C8   C12     3.12  30.0  1
 VIR  Var_08    C17   C16  C14  C13   167.11  30.0  1
 VIR  Var_09    N9    C10  C13  C14   -96.46  30.0  1
 VIR  Var_10    C23   C22  C20  C19    35.25  30.0  1
 VIR  Var_11    O36   C37  C1   C2     25.83  30.0  1
 VIR  Var_12    C4    N5   C1   C2     11.92  30.0  1
 VIR  Var_13    N5    C4   C3   C2     19.88  30.0  1
 VIR  Var_14    N25   C24  C23  C22   120.38  30.0  1
 VIR  Var_15    C26   N25  C24  C23   -80.44  30.0  1
 VIR  Var_16    N25   C26  C28  C29  -172.75  30.0  1
 VIR  Var_17    C37   C1   C2   C3    169.66  30.0  2
 VIR  Var_18    H19   C19  C20  C22     0.94   0.0  0
 VIR  Var_19    H22   C22  C23  C24     1.42   0.0  0
 VIR  Var_20    H28   C28  C29  C30    -0.67   0.0  0
 VIR  Var_21    H211  C21  C20  C19  -131.64  30.0  3
 VIR  Var_22    H341  C34  C33  C32   174.66  30.0  3
 VIR  Var_23    H351  C35  C33  C32   -53.55  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
 VIR  chir_01  C17  C16  C19  O18  negativ
 VIR  chir_02  C30  C29  C31  C32  negativ
 VIR  chir_03  C32  O36  C30  C33  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
 VIR  plan-1  C26  0.020
 VIR  plan-1  C28  0.020
 VIR  plan-1  C29  0.020
 VIR  plan-1  C30  0.020
 VIR  plan-1  H28  0.020
 VIR  plan-1  H29  0.020
 VIR  plan-2  C1   0.020
 VIR  plan-2  C37  0.020
 VIR  plan-2  O36  0.020
 VIR  plan-2  O38  0.020
 VIR  plan-3  C10  0.020
 VIR  plan-3  C12  0.020
 VIR  plan-3  C13  0.020
 VIR  plan-3  C6   0.020
 VIR  plan-3  C8   0.020
 VIR  plan-3  N9   0.020
 VIR  plan-3  O11  0.020
 VIR  plan-3  H12  0.020
 VIR  plan-4  C1   0.020
 VIR  plan-4  C4   0.020
 VIR  plan-4  C6   0.020
 VIR  plan-4  C8   0.020
 VIR  plan-4  N5   0.020
 VIR  plan-4  O7   0.020
 VIR  plan-5  C13  0.020
 VIR  plan-5  C14  0.020
 VIR  plan-5  C16  0.020
 VIR  plan-5  O15  0.020
 VIR  plan-6  C24  0.020
 VIR  plan-6  C26  0.020
 VIR  plan-6  C28  0.020
 VIR  plan-6  N25  0.020
 VIR  plan-6  O27  0.020
 VIR  plan-6  H25  0.020
 VIR  plan-7  C17  0.020
 VIR  plan-7  C19  0.020
 VIR  plan-7  C20  0.020
 VIR  plan-7  C21  0.020
 VIR  plan-7  C22  0.020
 VIR  plan-7  H19  0.020
 VIR  plan-8  C20  0.020
 VIR  plan-8  C22  0.020
 VIR  plan-8  C23  0.020
 VIR  plan-8  C24  0.020
 VIR  plan-8  H22  0.020
 VIR  plan-8  H23  0.020

