# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Tue Mar  8 14:15:35 2022
#   Inital geometry file: a 182 line input string
#   Ligand name: (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]2CCC[C@H]2C(O)=O)/C#N
#
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
 2CR  2CR  '(1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid'  ligand  77  35  .  2022-03-10  2022-03-10
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_2CR
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
 2CR  C1   C  CH1    0  -0.279   3.4124   0.0136  -0.2875
 2CR  C2   C  CH1    0  -0.369   4.2589  -1.2196  -0.7216
 2CR  C3   C  CH2    0  -0.431   3.7009  -1.6353  -2.0900
 2CR  C4   C  CH2    0  -0.440   2.9390  -0.4163  -2.5983
 2CR  C5   C  CH2    0  -0.443   2.2933   0.1380  -1.3333
 2CR  C6   C  CH1    0   0.057   2.9804   0.0218   1.1821
 2CR  C7   C  CH2    0  -0.556   2.4738  -1.2895   1.7917
 2CR  C8   C  C1     0  -0.180   1.3601  -1.9443   1.0529
 2CR  C9   C  C1     0  -0.230   0.1078  -2.0730   1.5080
 2CR  C10  C  C1     0  -0.217  -0.9238  -2.6618   0.6894
 2CR  C11  C  C      0  -0.068  -2.2048  -2.8874   1.0374
 2CR  C12  C  CSP    0   0.042  -2.6262  -2.6133   2.3679
 2CR  C13  C  CH1    0   0.045  -3.2566  -3.4019   0.0641
 2CR  C14  C  CH1    0  -0.256  -4.2355  -2.2959  -0.3907
 2CR  C15  C  CH3    0  -0.687  -5.3411  -2.0606   0.6354
 2CR  C16  C  CH2    0  -0.408  -3.5025  -1.0009  -0.7437
 2CR  C17  C  CH1    0  -0.248  -4.3459   0.0912  -1.4013
 2CR  C18  C  CH3    0  -0.656  -4.8628  -0.3423  -2.7701
 2CR  C19  C  CH2    0  -0.386  -3.5492   1.3941  -1.5336
 2CR  C20  C  CH1    0  -0.240  -2.9808   1.9811  -0.2377
 2CR  C21  C  CH3    0  -0.669  -4.0488   2.1188   0.8436
 2CR  C22  C  CH2    0  -0.422  -2.3126   3.3343  -0.5122
 2CR  C23  C  CH1    0  -0.263  -1.2884   3.7635   0.5481
 2CR  C24  C  CH3    0  -0.657  -1.0740   5.2733   0.5124
 2CR  C25  C  CH1    0   0.048   0.0235   2.9763   0.3968
 2CR  C26  C  CH2    0  -0.577   0.8942   3.0541   1.6475
 2CR  C27  C  C      0   0.590   2.1652   2.2559   1.4976
 2CR  O28  O  O      0  -0.454   3.2763   2.7271   1.5088
 2CR  O29  O  O2     0  -0.456   1.9050   0.9636   1.3700
 2CR  C30  C  C      0   0.415   5.7644  -0.8954  -0.6615
 2CR  O31  O  OC    -1  -0.600   6.4725  -1.1330  -1.6592
 2CR  O32  O  O      0  -0.617   6.1599  -0.4231   0.4264
 2CR  O33  O  OH1    0  -0.652  -2.6543  -3.9312  -1.0869
 2CR  O34  O  OH1    0  -0.665   0.8208   3.4424  -0.6745
 2CR  N35  N  NS     0  -0.265  -2.9718  -2.4167   3.4520
 2CR  H1   H  HCH1   0   0.243   4.0427   0.8995  -0.4081
 2CR  H2   H  HCH1   0   0.234   4.1210  -2.0460  -0.0183
 2CR  H3   H  HCH2   0   0.226   4.4865  -1.9720  -2.7649
 2CR  H4   H  HCH2   0   0.209   2.9994  -2.4665  -1.9691
 2CR  H5   H  HCH2   0   0.211   3.6351   0.3182  -3.0157
 2CR  H6   H  HCH2   0   0.222   2.2141  -0.6517  -3.3800
 2CR  H7   H  HCH2   0   0.215   1.4156  -0.4570  -1.0693
 2CR  H8   H  HCH2   0   0.235   1.9523   1.1676  -1.4466
 2CR  H9   H  HCH1   0   0.255   3.8385   0.3327   1.7821
 2CR  H10  H  HCH2   0   0.262   3.3230  -1.9743   1.8514
 2CR  H11  H  HCH2   0   0.266   2.1746  -1.0859   2.8228
 2CR  H12  H  H      0   0.262   1.5918  -2.3515   0.0727
 2CR  H14  H  H      0   0.256  -0.1487  -1.6960   2.4931
 2CR  H16  H  H      0   0.271  -0.6353  -2.9188  -0.3240
 2CR  H17  H  HCH1   0   0.236  -3.8432  -4.1764   0.5788
 2CR  H18  H  HCH1   0   0.245  -4.7100  -2.7043  -1.2886
 2CR  H19  H  HCH3   0   0.224  -4.9847  -1.5241   1.5165
 2CR  H20  H  HCH3   0   0.243  -6.1485  -1.4681   0.2059
 2CR  H21  H  HCH3   0   0.235  -5.7791  -3.0008   0.9744
 2CR  H22  H  HCH2   0   0.222  -3.0662  -0.6072   0.1779
 2CR  H23  H  HCH2   0   0.222  -2.6538  -1.2211  -1.4021
 2CR  H24  H  HCH1   0   0.220  -5.2157   0.2999  -0.7687
 2CR  H25  H  HCH3   0   0.228  -5.5319  -1.2014  -2.7047
 2CR  H26  H  HCH3   0   0.225  -5.4176   0.4640  -3.2532
 2CR  H27  H  HCH3   0   0.213  -4.0355  -0.6161  -3.4299
 2CR  H28  H  HCH2   0   0.210  -2.7246   1.2351  -2.2396
 2CR  H29  H  HCH2   0   0.213  -4.1981   2.1459  -2.0002
 2CR  H30  H  HCH1   0   0.217  -2.2088   1.3006   0.1405
 2CR  H31  H  HCH3   0   0.226  -4.4189   1.1484   1.1775
 2CR  H32  H  HCH3   0   0.231  -3.6667   2.6345   1.7264
 2CR  H33  H  HCH3   0   0.217  -4.9050   2.6891   0.4747
 2CR  H34  H  HCH2   0   0.206  -1.8314   3.3162  -1.4988
 2CR  H35  H  HCH2   0   0.229  -3.0918   4.1003  -0.5937
 2CR  H36  H  HCH1   0   0.227  -1.6925   3.5012   1.5326
 2CR  H37  H  HCH3   0   0.230  -2.0026   5.7883   0.7609
 2CR  H38  H  HCH3   0   0.226  -0.3180   5.6064   1.2243
 2CR  H39  H  HCH3   0   0.220  -0.7682   5.6114  -0.4784
 2CR  H40  H  HCH1   0   0.226  -0.2309   1.9188   0.2398
 2CR  H41  H  HCH2   0   0.258   1.1624   4.0868   1.8726
 2CR  H42  H  HCH2   0   0.274   0.3261   2.6626   2.4945
 2CR  H44  H  HOH1   0   0.457  -2.1603  -4.7210  -0.8421
 2CR  H45  H  HOH1   0   0.449   0.3618   3.2730  -1.5024

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
 2CR  O28  C27  double  1.207  0.020  1.207
 2CR  O34  C25  single  1.415  0.020  1.415
 2CR  C4   C3   single  1.525  0.020  1.525
 2CR  C4   C5   single  1.525  0.020  1.525
 2CR  C25  C23  single  1.537  0.020  1.537
 2CR  C25  C26  single  1.526  0.020  1.526
 2CR  C6   C7   single  1.532  0.020  1.532
 2CR  C6   C1   single  1.532  0.020  1.532
 2CR  C6   O29  single  1.442  0.020  1.442
 2CR  C27  O29  single  1.324  0.020  1.324
 2CR  C27  C26  single  1.508  0.020  1.508
 2CR  C3   C2   single  1.535  0.020  1.535
 2CR  C5   C1   single  1.537  0.020  1.537
 2CR  C7   C8   single  1.488  0.020  1.488
 2CR  C2   C1   single  1.557  0.020  1.557
 2CR  C2   C30  single  1.541  0.020  1.541
 2CR  C23  C24  single  1.525  0.020  1.525
 2CR  C23  C22  single  1.535  0.020  1.535
 2CR  C8   C9   double  1.339  0.020  1.339
 2CR  O32  C30  deloc   1.250  0.020  1.250
 2CR  C30  O31  deloc   1.246  0.020  1.246
 2CR  C21  C20  single  1.526  0.020  1.526
 2CR  C9   C10  single  1.443  0.020  1.443
 2CR  C22  C20  single  1.534  0.020  1.534
 2CR  C10  C11  double  1.347  0.020  1.347
 2CR  C20  C19  single  1.532  0.020  1.532
 2CR  C13  O33  single  1.403  0.020  1.403
 2CR  C13  C11  single  1.523  0.020  1.523
 2CR  C13  C14  single  1.545  0.020  1.545
 2CR  C15  C14  single  1.527  0.020  1.527
 2CR  C11  C12  single  1.422  0.020  1.422
 2CR  C16  C14  single  1.529  0.020  1.529
 2CR  C16  C17  single  1.529  0.020  1.529
 2CR  C19  C17  single  1.533  0.020  1.533
 2CR  C17  C18  single  1.526  0.020  1.526
 2CR  C12  N35  triple  1.155  0.020  1.155
 2CR  C1   H1   single  0.970  0.020  1.090
 2CR  C2   H2   single  0.970  0.020  1.090
 2CR  C3   H3   single  0.970  0.020  1.090
 2CR  C3   H4   single  0.970  0.020  1.090
 2CR  C4   H5   single  0.970  0.020  1.090
 2CR  C4   H6   single  0.970  0.020  1.090
 2CR  C5   H7   single  0.970  0.020  1.090
 2CR  C5   H8   single  0.970  0.020  1.090
 2CR  C6   H9   single  0.970  0.020  1.090
 2CR  C7   H10  single  0.970  0.020  1.090
 2CR  C7   H11  single  0.970  0.020  1.090
 2CR  C8   H12  single  0.930  0.020  1.080
 2CR  C9   H14  single  0.930  0.020  1.080
 2CR  C10  H16  single  0.930  0.020  1.080
 2CR  C13  H17  single  0.970  0.020  1.090
 2CR  C14  H18  single  0.970  0.020  1.090
 2CR  C15  H19  single  0.970  0.020  1.090
 2CR  C15  H20  single  0.970  0.020  1.090
 2CR  C15  H21  single  0.970  0.020  1.090
 2CR  C16  H22  single  0.970  0.020  1.090
 2CR  C16  H23  single  0.970  0.020  1.090
 2CR  C17  H24  single  0.970  0.020  1.090
 2CR  C18  H25  single  0.970  0.020  1.090
 2CR  C18  H26  single  0.970  0.020  1.090
 2CR  C18  H27  single  0.970  0.020  1.090
 2CR  C19  H28  single  0.970  0.020  1.090
 2CR  C19  H29  single  0.970  0.020  1.090
 2CR  C20  H30  single  0.970  0.020  1.090
 2CR  C21  H31  single  0.970  0.020  1.090
 2CR  C21  H32  single  0.970  0.020  1.090
 2CR  C21  H33  single  0.970  0.020  1.090
 2CR  C22  H34  single  0.970  0.020  1.090
 2CR  C22  H35  single  0.970  0.020  1.090
 2CR  C23  H36  single  0.970  0.020  1.090
 2CR  C24  H37  single  0.970  0.020  1.090
 2CR  C24  H38  single  0.970  0.020  1.090
 2CR  C24  H39  single  0.970  0.020  1.090
 2CR  C25  H40  single  0.970  0.020  1.090
 2CR  C26  H41  single  0.970  0.020  1.090
 2CR  C26  H42  single  0.970  0.020  1.090
 2CR  O33  H44  single  0.850  0.020  0.980
 2CR  O34  H45  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
 2CR  H1   C1   C6   105.31  3.000
 2CR  H1   C1   C5   106.20  3.000
 2CR  C6   C1   C5   116.55  3.000
 2CR  H1   C1   C2   107.30  3.000
 2CR  C5   C1   C2   105.68  3.000
 2CR  C6   C1   C2   115.15  3.000
 2CR  H2   C2   C30  104.89  3.000
 2CR  H2   C2   C3   108.82  3.000
 2CR  C30  C2   C3   116.54  3.000
 2CR  H2   C2   C1   110.52  3.000
 2CR  C30  C2   C1   110.70  3.000
 2CR  C3   C2   C1   105.39  3.000
 2CR  H4   C3   H3   107.23  3.000
 2CR  H4   C3   C4   108.89  3.000
 2CR  H3   C3   C4   113.64  3.000
 2CR  H4   C3   C2   109.89  3.000
 2CR  H3   C3   C2   111.95  3.000
 2CR  C4   C3   C2   105.20  3.000
 2CR  H6   C4   H5   107.09  3.000
 2CR  H6   C4   C5   113.03  3.000
 2CR  H5   C4   C5   109.99  3.000
 2CR  H6   C4   C3   113.46  3.000
 2CR  H5   C4   C3   110.24  3.000
 2CR  C5   C4   C3   103.04  3.000
 2CR  H8   C5   H7   106.74  3.000
 2CR  H8   C5   C4   112.92  3.000
 2CR  H7   C5   C4   110.04  3.000
 2CR  H8   C5   C1   112.01  3.000
 2CR  H7   C5   C1   112.11  3.000
 2CR  C4   C5   C1   103.11  3.000
 2CR  H9   C6   O29  109.18  3.000
 2CR  H9   C6   C7   106.55  3.000
 2CR  O29  C6   C7   105.11  3.000
 2CR  H9   C6   C1   107.87  3.000
 2CR  O29  C6   C1   109.81  3.000
 2CR  C7   C6   C1   118.06  3.000
 2CR  H11  C7   H10  106.14  3.000
 2CR  H11  C7   C8   110.21  3.000
 2CR  H10  C7   C8   109.45  3.000
 2CR  H11  C7   C6   107.84  3.000
 2CR  H10  C7   C6   107.53  3.000
 2CR  C8   C7   C6   115.24  3.000
 2CR  H12  C8   C9   118.04  3.000
 2CR  H12  C8   C7   116.95  3.000
 2CR  C9   C8   C7   125.00  3.000
 2CR  H14  C9   C10  119.20  3.000
 2CR  H14  C9   C8   119.75  3.000
 2CR  C10  C9   C8   121.02  3.000
 2CR  H16  C10  C11  117.06  3.000
 2CR  H16  C10  C9   115.90  3.000
 2CR  C11  C10  C9   127.01  3.000
 2CR  C13  C11  C12  117.29  3.000
 2CR  C12  C11  C10  119.43  3.000
 2CR  C13  C11  C10  123.27  3.000
 2CR  N35  C12  C11  180.00  3.000
 2CR  H17  C13  O33  110.33  3.000
 2CR  H17  C13  C14  107.70  3.000
 2CR  O33  C13  C14  107.49  3.000
 2CR  H17  C13  C11  107.89  3.000
 2CR  C14  C13  C11  112.57  3.000
 2CR  O33  C13  C11  110.82  3.000
 2CR  H18  C14  C16  109.53  3.000
 2CR  H18  C14  C15  107.16  3.000
 2CR  C16  C14  C15  111.82  3.000
 2CR  H18  C14  C13  104.42  3.000
 2CR  C16  C14  C13  111.73  3.000
 2CR  C15  C14  C13  111.79  3.000
 2CR  H21  C15  H20  107.07  3.000
 2CR  H21  C15  H19  107.68  3.000
 2CR  H20  C15  H19  107.03  3.000
 2CR  H21  C15  C14  111.51  3.000
 2CR  H20  C15  C14  110.82  3.000
 2CR  H19  C15  C14  112.46  3.000
 2CR  H23  C16  H22  105.65  3.000
 2CR  H23  C16  C17  108.20  3.000
 2CR  H22  C16  C17  109.00  3.000
 2CR  H23  C16  C14  109.85  3.000
 2CR  H22  C16  C14  107.56  3.000
 2CR  C17  C16  C14  116.09  3.000
 2CR  H24  C17  C19  107.50  3.000
 2CR  H24  C17  C18  107.64  3.000
 2CR  C19  C17  C18  109.88  3.000
 2CR  H24  C17  C16  109.01  3.000
 2CR  C18  C17  C16  111.70  3.000
 2CR  C19  C17  C16  110.96  3.000
 2CR  H27  C18  H26  107.61  3.000
 2CR  H27  C18  H25  107.65  3.000
 2CR  H26  C18  H25  107.25  3.000
 2CR  H27  C18  C17  110.87  3.000
 2CR  H26  C18  C17  111.06  3.000
 2CR  H25  C18  C17  112.19  3.000
 2CR  H29  C19  H28  105.68  3.000
 2CR  H29  C19  C20  108.46  3.000
 2CR  H28  C19  C20  108.72  3.000
 2CR  H29  C19  C17  108.16  3.000
 2CR  H28  C19  C17  108.84  3.000
 2CR  C20  C19  C17  116.45  3.000
 2CR  H30  C20  C22  107.61  3.000
 2CR  H30  C20  C21  107.72  3.000
 2CR  C22  C20  C21  110.61  3.000
 2CR  H30  C20  C19  108.37  3.000
 2CR  C22  C20  C19  110.38  3.000
 2CR  C21  C20  C19  111.98  3.000
 2CR  H33  C21  H32  107.50  3.000
 2CR  H33  C21  H31  107.56  3.000
 2CR  H32  C21  H31  106.95  3.000
 2CR  H33  C21  C20  110.87  3.000
 2CR  H32  C21  C20  111.76  3.000
 2CR  H31  C21  C20  111.97  3.000
 2CR  H35  C22  H34  104.86  3.000
 2CR  H35  C22  C23  109.28  3.000
 2CR  H34  C22  C23  109.44  3.000
 2CR  H35  C22  C20  108.68  3.000
 2CR  H34  C22  C20  109.71  3.000
 2CR  C23  C22  C20  114.43  3.000
 2CR  H36  C23  C25  106.29  3.000
 2CR  H36  C23  C24  108.04  3.000
 2CR  C25  C23  C24  112.62  3.000
 2CR  H36  C23  C22  107.91  3.000
 2CR  C24  C23  C22  110.75  3.000
 2CR  C25  C23  C22  110.98  3.000
 2CR  H39  C24  H38  107.69  3.000
 2CR  H39  C24  H37  107.42  3.000
 2CR  H38  C24  H37  107.30  3.000
 2CR  H39  C24  C23  111.56  3.000
 2CR  H38  C24  C23  112.61  3.000
 2CR  H37  C24  C23  110.02  3.000
 2CR  H40  C25  O34  109.84  3.000
 2CR  H40  C25  C26  107.35  3.000
 2CR  O34  C25  C26  106.40  3.000
 2CR  H40  C25  C23  108.02  3.000
 2CR  C26  C25  C23  112.35  3.000
 2CR  O34  C25  C23  112.76  3.000
 2CR  H42  C26  H41  107.89  3.000
 2CR  H42  C26  C27  109.01  3.000
 2CR  H41  C26  C27  108.33  3.000
 2CR  H42  C26  C25  108.69  3.000
 2CR  H41  C26  C25  110.96  3.000
 2CR  C27  C26  C25  111.87  3.000
 2CR  O29  C27  O28  124.24  3.000
 2CR  O29  C27  C26  111.13  3.000
 2CR  O28  C27  C26  124.63  3.000
 2CR  C27  O29  C6   120.23  3.000
 2CR  O32  C30  O31  126.08  3.000
 2CR  O31  C30  C2   118.92  3.000
 2CR  O32  C30  C2   114.99  3.000
 2CR  H44  O33  C13  108.73  3.000
 2CR  H45  O34  C25  108.96  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
 2CR  Var_01  C10  C9   C8   C7    176.70   0.0  0
 2CR  Var_02  C13  C11  C10  C9    174.38   0.0  0
 2CR  Var_03  C3   C4   C5   C1     41.86  30.0  1
 2CR  Var_04  C5   C4   C3   C2    -37.75  30.0  1
 2CR  Var_05  C9   C8   C7   C6   -112.39  30.0  1
 2CR  Var_06  C26  C27  O29  C6    178.53  30.0  1
 2CR  Var_07  C11  C10  C9   C8    177.77  30.0  1
 2CR  Var_08  O29  C27  C26  C25   -64.33  30.0  1
 2CR  Var_09  H12  C8   C9   C10    -3.71   0.0  0

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
 2CR  chir_01  C1   C6   C5   C2   positiv
 2CR  chir_02  C2   C3   C1   C30  positiv
 2CR  chir_03  C6   O29  C1   C7   positiv
 2CR  chir_04  C13  O33  C11  C14  negativ
 2CR  chir_05  C14  C16  C15  C13  positiv
 2CR  chir_06  C17  C16  C19  C18  negativ
 2CR  chir_07  C20  C19  C22  C21  negativ
 2CR  chir_08  C23  C22  C24  C25  positiv
 2CR  chir_09  C25  O34  C23  C26  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
 2CR  plan-1  C2   0.020
 2CR  plan-1  C30  0.020
 2CR  plan-1  O31  0.020
 2CR  plan-1  O32  0.020
 2CR  plan-2  C26  0.020
 2CR  plan-2  C27  0.020
 2CR  plan-2  O28  0.020
 2CR  plan-2  O29  0.020
 2CR  plan-3  C7   0.020
 2CR  plan-3  C8   0.020
 2CR  plan-3  C9   0.020
 2CR  plan-3  C10  0.020
 2CR  plan-3  H12  0.020
 2CR  plan-3  H14  0.020
 2CR  plan-4  C9   0.020
 2CR  plan-4  C10  0.020
 2CR  plan-4  C11  0.020
 2CR  plan-4  C12  0.020
 2CR  plan-4  C13  0.020
 2CR  plan-4  H16  0.020

