# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 13 05:57:15 2020
#   Inital geometry file: a 142 line input string
#   Ligand name: N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1nn(c(O)c1c2[nH]c3ccncc3c2)c4cccc(CNC(=O)Nc5ccccc5)c4
#
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
 9RS  9RS  N-({3-[5-hydroxy-3-methyl-4-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-1-yl]phenyl}methyl)-N'-phenylurea  ligand  55  33  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_9RS
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
 9RS  N3   N  NR5   0  -0.445   -1.4926   0.2136   0.2151
 9RS  C5   C  CR5   0   0.351   -5.0995   0.3641   0.2282
 9RS  C6   C  CR5   0   0.270   -2.9365   1.7736   0.2825
 9RS  C8   C  CR15  0  -0.457   -6.0871   1.0345   0.8981
 9RS  C10  C  CR56  0  -0.013   -7.3249   0.4315   0.5242
 9RS  C20  C  CR6   0   0.132    2.0279  -0.2843  -0.7700
 9RS  C21  C  CH2   0  -0.381    3.0493   0.3638  -1.6744
 9RS  C22  C  CR16  0  -0.137   -8.6672   0.6359   0.8473
 9RS  C24  C  CH3   0  -0.752   -3.4868   3.1537   0.3442
 9RS  C26  C  CR16  0  -0.103   -9.3214  -1.0753  -0.5320
 9RS  C28  C  CR16  0  -0.298    2.3547  -1.4077  -0.0120
 9RS  C1   C  CR5   0  -0.291   -3.6658   0.5573   0.2437
 9RS  C2   C  CR5   0   0.563   -2.6841  -0.4147   0.1971
 9RS  N4   N  N     0  -0.317   -1.6435   1.5557   0.2510
 9RS  N7   N  NR15  0  -0.748   -5.6742  -0.6347  -0.5352
 9RS  C9   C  CR6   0   0.363   -0.2015  -0.3528   0.1467
 9RS  C11  C  C     0   0.755    5.3715   0.1205  -0.8992
 9RS  C12  C  CR56  0   0.426   -7.0232  -0.6077  -0.3797
 9RS  N13  N  NH1   0  -0.790    6.3194   0.7049  -0.0983
 9RS  N14  N  NH1   0  -0.672    4.2184   0.8322  -0.9711
 9RS  O15  O  OH1   0  -0.598   -2.7359  -1.7391   0.1092
 9RS  C16  C  CR16  0  -0.348    0.7438   0.2344  -0.6889
 9RS  O17  O  O     0  -0.523    5.5463  -0.9291  -1.5023
 9RS  N18  N  N     0  -0.423   -9.6371  -0.0985   0.3329
 9RS  C19  C  CR16  0  -0.382   -8.0365  -1.3843  -0.9318
 9RS  C23  C  CR6   0   0.374    7.6032   0.2555   0.2057
 9RS  C25  C  CR16  0  -0.301    0.1306  -1.4574   0.9179
 9RS  C27  C  CR16  0  -0.238    1.4117  -1.9848   0.8221
 9RS  C29  C  CR16  0  -0.353    8.3063   0.9831   1.1727
 9RS  C30  C  CR16  0  -0.321    8.2270  -0.8442  -0.3898
 9RS  C31  C  CR16  0  -0.244    9.5921   0.6242   1.5369
 9RS  C32  C  CR16  0  -0.244    9.5172  -1.1929  -0.0109
 9RS  C33  C  CR16  0  -0.279   10.2113  -0.4713   0.9485
 9RS  H1   H  HCR5  0   0.253   -5.9450   1.8383   1.6025
 9RS  H2   H  HCH2  0   0.270    3.3665  -0.3371  -2.4459
 9RS  H3   H  HCH2  0   0.271    2.5941   1.2111  -2.1890
 9RS  H4   H  HCR6  0   0.255   -8.9563   1.4192   1.5414
 9RS  H5   H  HCH3  0   0.253   -3.8747   3.3832   1.3378
 9RS  H6   H  HCH3  0   0.258   -2.7141   3.8842   0.1109
 9RS  H7   H  HCH3  0   0.250   -4.3091   3.2807  -0.3600
 9RS  H8   H  HCR6  0   0.257  -10.1534  -1.6485  -0.9251
 9RS  H9   H  HCR6  0   0.257    3.3474  -1.8350  -0.0741
 9RS  H11  H  HNR5  0   0.414   -5.1915  -1.1711  -1.2388
 9RS  H12  H  HNH1  0   0.408    6.0532   1.5550   0.3750
 9RS  H13  H  HNH1  0   0.400    4.0953   1.6420  -0.3847
 9RS  H14  H  HCR6  0   0.268    0.4733   1.1056  -1.2727
 9RS  H15  H  HCR6  0   0.273   -7.8462  -2.1873  -1.6309
 9RS  H16  H  HCR6  0   0.274   -0.5841  -1.8997   1.5970
 9RS  H17  H  HCR6  0   0.264    1.6737  -2.8508   1.4154
 9RS  H18  H  HCR6  0   0.266    7.8375   1.8391   1.6445
 9RS  H19  H  HCR6  0   0.277    7.7197  -1.4261  -1.1409
 9RS  H20  H  HCR6  0   0.257   10.1110   1.2062   2.2877
 9RS  H21  H  HCR6  0   0.255    9.9832  -2.0480  -0.4841
 9RS  H22  H  HCR6  0   0.252   11.2163  -0.7538   1.2320
 9RS  H10  H  HOH1  0   0.492   -3.5782  -2.0753   0.4394

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
 9RS  C21  N14  single    1.442  0.020  1.442
 9RS  C21  C20  single    1.510  0.020  1.510
 9RS  C28  C27  aromatic  1.385  0.020  1.385
 9RS  C28  C20  aromatic  1.394  0.020  1.394
 9RS  N14  C11  single    1.357  0.020  1.357
 9RS  C27  C25  aromatic  1.389  0.020  1.389
 9RS  C20  C16  aromatic  1.387  0.020  1.387
 9RS  C11  N13  single    1.372  0.020  1.372
 9RS  C11  O17  double    1.223  0.020  1.223
 9RS  C30  C32  aromatic  1.389  0.020  1.389
 9RS  C30  C23  aromatic  1.397  0.020  1.397
 9RS  N13  C23  single    1.394  0.020  1.394
 9RS  C32  C33  aromatic  1.387  0.020  1.387
 9RS  C23  C29  aromatic  1.400  0.020  1.400
 9RS  C25  C9   aromatic  1.387  0.020  1.387
 9RS  C16  C9   aromatic  1.392  0.020  1.392
 9RS  C33  C31  aromatic  1.389  0.020  1.389
 9RS  C9   N3   single    1.412  0.020  1.412
 9RS  C29  C31  aromatic  1.384  0.020  1.384
 9RS  N3   C2   aromatic  1.347  0.020  1.347
 9RS  N3   N4   aromatic  1.351  0.020  1.351
 9RS  O15  C2   single    1.328  0.020  1.328
 9RS  C2   C1   aromatic  1.382  0.020  1.382
 9RS  N4   C6   aromatic  1.312  0.020  1.312
 9RS  C1   C6   aromatic  1.419  0.020  1.419
 9RS  C1   C5   single    1.447  0.020  1.447
 9RS  C6   C24  single    1.487  0.020  1.487
 9RS  N7   C5   aromatic  1.382  0.020  1.382
 9RS  N7   C12  aromatic  1.358  0.020  1.358
 9RS  C5   C8   aromatic  1.369  0.020  1.369
 9RS  C12  C19  aromatic  1.391  0.020  1.391
 9RS  C12  C10  aromatic  1.410  0.020  1.410
 9RS  C19  C26  aromatic  1.381  0.020  1.381
 9RS  C8   C10  aromatic  1.427  0.020  1.427
 9RS  C10  C22  aromatic  1.396  0.020  1.396
 9RS  C26  N18  aromatic  1.342  0.020  1.342
 9RS  C22  N18  aromatic  1.321  0.020  1.321
 9RS  C8   H1   single    0.930  0.020  1.080
 9RS  C21  H2   single    0.970  0.020  1.090
 9RS  C21  H3   single    0.970  0.020  1.090
 9RS  C22  H4   single    0.930  0.020  1.080
 9RS  C24  H5   single    0.970  0.020  1.090
 9RS  C24  H6   single    0.970  0.020  1.090
 9RS  C24  H7   single    0.970  0.020  1.090
 9RS  C26  H8   single    0.930  0.020  1.080
 9RS  C28  H9   single    0.930  0.020  1.080
 9RS  N7   H11  single    0.860  0.020  1.020
 9RS  N13  H12  single    0.860  0.020  1.020
 9RS  N14  H13  single    0.860  0.020  1.020
 9RS  C16  H14  single    0.930  0.020  1.080
 9RS  C19  H15  single    0.930  0.020  1.080
 9RS  C25  H16  single    0.930  0.020  1.080
 9RS  C27  H17  single    0.930  0.020  1.080
 9RS  C29  H18  single    0.930  0.020  1.080
 9RS  C30  H19  single    0.930  0.020  1.080
 9RS  C31  H20  single    0.930  0.020  1.080
 9RS  C32  H21  single    0.930  0.020  1.080
 9RS  C33  H22  single    0.930  0.020  1.080
 9RS  O15  H10  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
 9RS  C9   N3   N4   120.14  3.000
 9RS  N4   N3   C2   111.40  3.000
 9RS  C9   N3   C2   128.40  3.000
 9RS  N7   C5   C1   120.96  3.000
 9RS  N7   C5   C8   108.92  3.000
 9RS  C1   C5   C8   130.12  3.000
 9RS  N4   C6   C1   111.33  3.000
 9RS  C1   C6   C24  127.34  3.000
 9RS  N4   C6   C24  121.33  3.000
 9RS  H1   C8   C10  126.92  3.000
 9RS  H1   C8   C5   126.14  3.000
 9RS  C10  C8   C5   106.90  3.000
 9RS  C12  C10  C22  117.53  3.000
 9RS  C22  C10  C8   135.38  3.000
 9RS  C12  C10  C8   107.09  3.000
 9RS  C16  C20  C28  119.11  3.000
 9RS  C16  C20  C21  120.03  3.000
 9RS  C28  C20  C21  120.86  3.000
 9RS  H3   C21  H2   106.68  3.000
 9RS  H3   C21  N14  108.42  3.000
 9RS  H2   C21  N14  108.55  3.000
 9RS  H3   C21  C20  109.49  3.000
 9RS  H2   C21  C20  110.17  3.000
 9RS  N14  C21  C20  113.30  3.000
 9RS  H4   C22  N18  117.04  3.000
 9RS  H4   C22  C10  120.65  3.000
 9RS  N18  C22  C10  122.32  3.000
 9RS  H7   C24  H6   108.59  3.000
 9RS  H7   C24  H5   107.20  3.000
 9RS  H6   C24  H5   107.84  3.000
 9RS  H7   C24  C6   111.13  3.000
 9RS  H6   C24  C6   110.56  3.000
 9RS  H5   C24  C6   111.39  3.000
 9RS  H8   C26  C19  119.40  3.000
 9RS  H8   C26  N18  115.97  3.000
 9RS  C19  C26  N18  124.63  3.000
 9RS  H9   C28  C27  119.63  3.000
 9RS  H9   C28  C20  120.12  3.000
 9RS  C27  C28  C20  120.25  3.000
 9RS  C2   C1   C6   103.81  3.000
 9RS  C6   C1   C5   128.63  3.000
 9RS  C2   C1   C5   127.55  3.000
 9RS  O15  C2   C1   132.51  3.000
 9RS  C1   C2   N3   107.44  3.000
 9RS  O15  C2   N3   120.03  3.000
 9RS  C6   N4   N3   106.01  3.000
 9RS  H11  N7   C12  124.49  3.000
 9RS  H11  N7   C5   124.82  3.000
 9RS  C12  N7   C5   109.59  3.000
 9RS  C25  C9   C16  120.47  3.000
 9RS  C16  C9   N3   118.75  3.000
 9RS  C25  C9   N3   120.76  3.000
 9RS  O17  C11  N14  123.05  3.000
 9RS  O17  C11  N13  123.69  3.000
 9RS  N14  C11  N13  113.25  3.000
 9RS  C19  C12  N7   131.84  3.000
 9RS  C19  C12  C10  120.67  3.000
 9RS  N7   C12  C10  107.49  3.000
 9RS  H12  N13  C23  114.36  3.000
 9RS  H12  N13  C11  116.78  3.000
 9RS  C23  N13  C11  128.80  3.000
 9RS  H13  N14  C11  119.65  3.000
 9RS  H13  N14  C21  116.48  3.000
 9RS  C11  N14  C21  122.97  3.000
 9RS  H10  O15  C2   111.02  3.000
 9RS  H14  C16  C9   119.57  3.000
 9RS  H14  C16  C20  120.03  3.000
 9RS  C9   C16  C20  120.40  3.000
 9RS  C26  N18  C22  118.87  3.000
 9RS  H15  C19  C12  122.88  3.000
 9RS  H15  C19  C26  121.14  3.000
 9RS  C12  C19  C26  115.98  3.000
 9RS  C30  C23  C29  118.64  3.000
 9RS  C29  C23  N13  116.47  3.000
 9RS  C30  C23  N13  124.89  3.000
 9RS  H16  C25  C27  119.87  3.000
 9RS  H16  C25  C9   121.13  3.000
 9RS  C27  C25  C9   119.00  3.000
 9RS  H17  C27  C25  119.31  3.000
 9RS  H17  C27  C28  119.93  3.000
 9RS  C25  C27  C28  120.76  3.000
 9RS  H18  C29  C31  119.48  3.000
 9RS  H18  C29  C23  119.61  3.000
 9RS  C31  C29  C23  120.92  3.000
 9RS  H19  C30  C32  119.47  3.000
 9RS  H19  C30  C23  120.80  3.000
 9RS  C32  C30  C23  119.73  3.000
 9RS  H20  C31  C33  120.28  3.000
 9RS  H20  C31  C29  119.24  3.000
 9RS  C33  C31  C29  120.48  3.000
 9RS  H21  C32  C33  119.86  3.000
 9RS  H21  C32  C30  118.61  3.000
 9RS  C33  C32  C30  121.53  3.000
 9RS  H22  C33  C32  120.69  3.000
 9RS  H22  C33  C31  120.60  3.000
 9RS  C32  C33  C31  118.71  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
 9RS  CONST_01  C27  C25  C9   N3   180.00   0.0  0
 9RS  CONST_02  C20  C16  C9   N3   180.00   0.0  0
 9RS  CONST_03  C6   C1   C2   N3     0.00   0.0  0
 9RS  CONST_04  C5   C1   C2   N3   180.00   0.0  0
 9RS  CONST_05  C1   C6   N4   N3     0.00   0.0  0
 9RS  CONST_06  N4   C6   C1   C5   180.00   0.0  0
 9RS  CONST_07  C19  C12  N7   C5   180.00   0.0  0
 9RS  CONST_08  C10  C12  N7   C5     0.00   0.0  0
 9RS  CONST_09  C12  C10  C8   C5     0.00   0.0  0
 9RS  CONST_10  C22  C10  C8   C5   180.00   0.0  0
 9RS  CONST_11  C9   N3   N4   C6   180.00   0.0  0
 9RS  CONST_12  C2   N3   N4   C6     0.00   0.0  0
 9RS  CONST_16  C12  N7   C5   C8     0.00   0.0  0
 9RS  CONST_17  N7   C12  C10  C8     0.00   0.0  0
 9RS  CONST_18  C19  C12  C10  C8   180.00   0.0  0
 9RS  CONST_19  N18  C22  C10  C8   180.00   0.0  0
 9RS  CONST_20  C26  C19  C12  C10    0.00   0.0  0
 9RS  CONST_21  C1   C5   C8   C10  180.00   0.0  0
 9RS  CONST_22  N7   C5   C8   C10    0.00   0.0  0
 9RS  CONST_23  C26  N18  C22  C10    0.00   0.0  0
 9RS  CONST_24  C25  C27  C28  C20    0.00   0.0  0
 9RS  CONST_25  C25  C9   C16  C20    0.00   0.0  0
 9RS  CONST_26  N7   C12  C10  C22  180.00   0.0  0
 9RS  CONST_27  C19  C12  C10  C22    0.00   0.0  0
 9RS  CONST_28  C19  C26  N18  C22    0.00   0.0  0
 9RS  CONST_29  N7   C12  C19  C26  180.00   0.0  0
 9RS  CONST_30  C9   C25  C27  C28    0.00   0.0  0
 9RS  CONST_31  C9   C16  C20  C28    0.00   0.0  0
 9RS  CONST_32  C9   N3   C2   C1   180.00   0.0  0
 9RS  CONST_33  N4   N3   C2   C1     0.00   0.0  0
 9RS  CONST_34  C12  N7   C5   C1   180.00   0.0  0
 9RS  CONST_37  N4   C6   C1   C2     0.00   0.0  0
 9RS  CONST_41  N18  C26  C19  C12    0.00   0.0  0
 9RS  CONST_42  N18  C22  C10  C12    0.00   0.0  0
 9RS  CONST_43  C27  C28  C20  C16    0.00   0.0  0
 9RS  CONST_44  C27  C25  C9   C16    0.00   0.0  0
 9RS  CONST_45  C33  C32  C30  C23    0.00   0.0  0
 9RS  CONST_46  C33  C31  C29  C23    0.00   0.0  0
 9RS  CONST_47  C32  C30  C23  C29    0.00   0.0  0
 9RS  CONST_48  C32  C33  C31  C29    0.00   0.0  0
 9RS  CONST_49  C31  C33  C32  C30    0.00   0.0  0
 9RS  CONST_50  C31  C29  C23  C30    0.00   0.0  0
 9RS  CONST_51  C24  C6   N4   N3   180.00   0.0  0
 9RS  CONST_52  O15  C2   C1   C5     0.00   0.0  0
 9RS  CONST_53  C24  C6   C1   C5     0.00   0.0  0
 9RS  CONST_54  O15  C2   C1   C6   180.00   0.0  0
 9RS  CONST_55  C27  C28  C20  C21  180.00   0.0  0
 9RS  CONST_56  C9   C16  C20  C21  180.00   0.0  0
 9RS  CONST_57  C2   C1   C6   C24  180.00   0.0  0
 9RS  CONST_58  O15  C2   N3   N4   180.00   0.0  0
 9RS  CONST_59  O15  C2   N3   C9     0.00   0.0  0
 9RS  CONST_60  C32  C30  C23  N13  180.00   0.0  0
 9RS  CONST_61  C31  C29  C23  N13  180.00   0.0  0
 9RS  CONST_62  H16  C25  C9   N3     0.00   0.0  0
 9RS  CONST_63  H14  C16  C9   N3     0.00   0.0  0
 9RS  CONST_64  H11  N7   C5   C8   180.00   0.0  0
 9RS  CONST_65  H4   C22  C10  C8     0.00   0.0  0
 9RS  CONST_66  H15  C19  C12  C10  180.00   0.0  0
 9RS  CONST_67  H17  C27  C28  C20  180.00   0.0  0
 9RS  CONST_68  H1   C8   C10  C22    0.00   0.0  0
 9RS  CONST_69  H8   C26  N18  C22  180.00   0.0  0
 9RS  CONST_70  H9   C28  C20  C16  180.00   0.0  0
 9RS  CONST_71  H21  C32  C30  C23  180.00   0.0  0
 9RS  CONST_72  H20  C31  C29  C23  180.00   0.0  0
 9RS  CONST_73  H19  C30  C23  C29  180.00   0.0  0
 9RS  CONST_74  H22  C33  C31  C29  180.00   0.0  0
 9RS  CONST_75  H18  C29  C23  C30  180.00   0.0  0
 9RS  CONST_76  C30  C23  N13  C11    0.00   0.0  0
 9RS  CONST_77  C29  C23  N13  C11  180.00   0.0  0
 9RS  CONST_78  H12  N13  C23  C29    0.00   0.0  0
 9RS  CONST_79  C23  N13  C11  O17    0.00   0.0  0
 9RS  CONST_80  C23  N13  C11  N14  180.00   0.0  0
 9RS  CONST_81  O17  C11  N14  C21    0.00   0.0  0
 9RS  CONST_82  N13  C11  N14  C21  180.00   0.0  0
 9RS  CONST_83  H13  N14  C11  O17  180.00   0.0  0
 9RS  Var_01    N14  C21  C20  C28  -59.83  30.0  2
 9RS  Var_02    H5   C24  C6   C1    74.43  30.0  2
 9RS  Var_03    C11  N14  C21  C20   97.65  30.0  3

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
 9RS  plan-1  N3   0.020
 9RS  plan-1  C5   0.020
 9RS  plan-1  C6   0.020
 9RS  plan-1  C24  0.020
 9RS  plan-1  C1   0.020
 9RS  plan-1  C2   0.020
 9RS  plan-1  N4   0.020
 9RS  plan-1  C9   0.020
 9RS  plan-1  O15  0.020
 9RS  plan-2  N3   0.020
 9RS  plan-2  C20  0.020
 9RS  plan-2  C21  0.020
 9RS  plan-2  C28  0.020
 9RS  plan-2  C9   0.020
 9RS  plan-2  C16  0.020
 9RS  plan-2  C25  0.020
 9RS  plan-2  C27  0.020
 9RS  plan-2  H9   0.020
 9RS  plan-2  H14  0.020
 9RS  plan-2  H16  0.020
 9RS  plan-2  H17  0.020
 9RS  plan-3  N13  0.020
 9RS  plan-3  C23  0.020
 9RS  plan-3  C29  0.020
 9RS  plan-3  C30  0.020
 9RS  plan-3  C31  0.020
 9RS  plan-3  C32  0.020
 9RS  plan-3  C33  0.020
 9RS  plan-3  H18  0.020
 9RS  plan-3  H19  0.020
 9RS  plan-3  H20  0.020
 9RS  plan-3  H21  0.020
 9RS  plan-3  H22  0.020
 9RS  plan-4  C5   0.020
 9RS  plan-4  C8   0.020
 9RS  plan-4  C10  0.020
 9RS  plan-4  C22  0.020
 9RS  plan-4  C26  0.020
 9RS  plan-4  C1   0.020
 9RS  plan-4  N7   0.020
 9RS  plan-4  C12  0.020
 9RS  plan-4  N18  0.020
 9RS  plan-4  C19  0.020
 9RS  plan-4  H1   0.020
 9RS  plan-4  H4   0.020
 9RS  plan-4  H8   0.020
 9RS  plan-4  H11  0.020
 9RS  plan-4  H15  0.020
 9RS  plan-5  C21  0.020
 9RS  plan-5  C11  0.020
 9RS  plan-5  N13  0.020
 9RS  plan-5  N14  0.020
 9RS  plan-5  O17  0.020
 9RS  plan-5  C23  0.020
 9RS  plan-5  H12  0.020
 9RS  plan-5  H13  0.020

