# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sun Apr 19 11:52:56 2020
#   Inital geometry file: a 154 line input string
#   Ligand name: N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: O=C(CCN1CCCCC1)N2CCc3c(C2)sc(NC(=O)c4cccc5ccccc45)c3C#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
 C0M  C0M  N-[3-cyano-6-(3-piperidin-1-ylpropanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]naphthalene-1-carboxamide  ligand  62  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 GRAND
;

data_comp_C0M
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
 C0M  C1    C  CH2   0  -0.498  -3.7624  -1.2289   6.1062
 C0M  C2    C  CR5   0   0.260  -4.4779  -0.1107   6.7943
 C0M  O26   O  O     0  -0.495  -2.7916  -0.5967   2.6628
 C0M  C25   C  C     0   0.595  -3.6531   0.1795   3.0509
 C0M  C27   C  CH2   0  -0.653  -3.8035   1.5600   2.4413
 C0M  C28   C  CH2   0  -0.236  -2.9283   1.7457   1.2097
 C0M  N29   N  NT    0  -0.421  -2.8429   3.1309   0.7852
 C0M  C34   C  CH2   0  -0.284  -4.1191   3.6561   0.3238
 C0M  C33   C  CH2   0  -0.435  -4.0116   5.1236  -0.0654
 C0M  C32   C  CH2   0  -0.440  -2.9390   5.3278  -1.1267
 C0M  C31   C  CH2   0  -0.439  -1.6255   4.7248  -0.6462
 C0M  C30   C  CH2   0  -0.276  -1.8232   3.2724  -0.2427
 C0M  N5    N  NT    0  -0.473  -4.5184  -0.1650   4.0373
 C0M  C6    C  CH2   0  -0.336  -4.3832  -1.4367   4.7286
 C0M  C4    C  CH2   0  -0.328  -5.4921   0.7244   4.6364
 C0M  C3    C  CR5   0  -0.312  -5.2658   0.7566   6.1182
 C0M  S9    S  S2    0   0.299  -6.0249   1.9193   7.1502
 C0M  C8    C  CR5   0   0.128  -5.2629   1.2429   8.5361
 C0M  C7    C  CR5   0  -0.016  -4.4663   0.1717   8.1976
 C0M  C10   C  CSP   0  -0.005  -3.7379  -0.5735   9.1507
 C0M  N11   N  NS    0  -0.244  -3.1478  -1.1783   9.9373
 C0M  N12   N  NH1   0  -0.714  -5.4345   1.7357   9.8039
 C0M  C13   C  C     0   0.519  -6.2710   2.7695  10.1144
 C0M  O14   O  O     0  -0.436  -6.9017   3.3419   9.2457
 C0M  C15   C  CR6   0  -0.094  -6.3510   3.0985  11.5608
 C0M  C20   C  CR16  0  -0.292  -6.5057   2.0702  12.4595
 C0M  C19   C  CR16  0  -0.250  -6.6662   2.3240  13.8332
 C0M  C18   C  CR16  0  -0.302  -6.6586   3.6105  14.2907
 C0M  C16   C  CR66  0   0.137  -6.3362   4.4532  12.0085
 C0M  C21   C  CR16  0  -0.331  -6.1382   5.5659  11.1547
 C0M  C22   C  CR16  0  -0.244  -6.1086   6.8389  11.6578
 C0M  C23   C  CR16  0  -0.256  -6.2764   7.0773  13.0356
 C0M  C24   C  CR16  0  -0.305  -6.4597   6.0247  13.8875
 C0M  C17   C  CR66  0   0.105  -6.4882   4.6966  13.4011
 C0M  H11   H  HCH2  0   0.265  -2.6971  -0.9999   6.0131
 C0M  H12   H  HCH2  0   0.263  -3.8375  -2.1510   6.6874
 C0M  H271  H  HCH2  0   0.275  -3.5307   2.3104   3.1912
 C0M  H272  H  HCH2  0   0.275  -4.8540   1.7366   2.2014
 C0M  H281  H  HCH2  0   0.235  -1.9162   1.4106   1.4419
 C0M  H282  H  HCH2  0   0.194  -3.2938   1.0937   0.3976
 C0M  H341  H  HCH2  0   0.237  -4.8595   3.5548   1.1189
 C0M  H342  H  HCH2  0   0.182  -4.4973   3.0747  -0.5372
 C0M  H331  H  HCH2  0   0.214  -3.7655   5.7112   0.8241
 C0M  H332  H  HCH2  0   0.230  -4.9844   5.4714  -0.4195
 C0M  H321  H  HCH2  0   0.210  -3.2460   4.8328  -2.0542
 C0M  H322  H  HCH2  0   0.230  -2.8196   6.3882  -1.3598
 C0M  H311  H  HCH2  0   0.229  -0.8629   4.7804  -1.4261
 C0M  H312  H  HCH2  0   0.214  -1.2495   5.2913   0.2112
 C0M  H301  H  HCH2  0   0.181  -2.0798   2.6828  -1.1420
 C0M  H302  H  HCH2  0   0.232  -0.8857   2.8631   0.1419
 C0M  H61   H  HCH2  0   0.276  -3.7861  -2.1177   4.1307
 C0M  H62   H  HCH2  0   0.261  -5.3794  -1.8735   4.8370
 C0M  H41   H  HCH2  0   0.278  -6.5059   0.3739   4.4136
 C0M  H42   H  HCH2  0   0.290  -5.4120   1.7260   4.2218
 C0M  HN12  H  HNH1  0   0.437  -4.8473   1.3520  10.5318
 C0M  H20   H  HCR6  0   0.278  -6.5417   1.0439  12.1151
 C0M  H19   H  HCR6  0   0.271  -6.7996   1.4964  14.5160
 C0M  H18   H  HCR6  0   0.267  -6.7808   3.8147  15.3474
 C0M  H21   H  HCR6  0   0.258  -6.0063   5.4237  10.0928
 C0M  H22   H  HCR6  0   0.265  -5.9533   7.6732  10.9866
 C0M  H23   H  HCR6  0   0.263  -6.2538   8.0909  13.4142
 C0M  H24   H  HCR6  0   0.262  -6.5801   6.1898  14.9510

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
 C0M  C1   C6    single    1.525  0.020  1.525
 C0M  C1   C2    single    1.495  0.020  1.495
 C0M  C1   H11   single    0.970  0.020  1.090
 C0M  C1   H12   single    0.970  0.020  1.090
 C0M  C2   C3    aromatic  1.353  0.020  1.353
 C0M  C2   C7    aromatic  1.431  0.020  1.431
 C0M  O26  C25   double    1.223  0.020  1.223
 C0M  C25  N5    single    1.357  0.020  1.357
 C0M  C25  C27   single    1.517  0.020  1.517
 C0M  C27  C28   single    1.522  0.020  1.522
 C0M  C27  H271  single    0.970  0.020  1.090
 C0M  C27  H272  single    0.970  0.020  1.090
 C0M  C28  N29   single    1.451  0.020  1.451
 C0M  C28  H281  single    0.970  0.020  1.090
 C0M  C28  H282  single    0.970  0.020  1.090
 C0M  N29  C30   single    1.455  0.020  1.455
 C0M  N29  C34   single    1.455  0.020  1.455
 C0M  C34  C33   single    1.522  0.020  1.522
 C0M  C34  H341  single    0.970  0.020  1.090
 C0M  C34  H342  single    0.970  0.020  1.090
 C0M  C33  C32   single    1.523  0.020  1.523
 C0M  C33  H331  single    0.970  0.020  1.090
 C0M  C33  H332  single    0.970  0.020  1.090
 C0M  C32  C31   single    1.523  0.020  1.523
 C0M  C32  H321  single    0.970  0.020  1.090
 C0M  C32  H322  single    0.970  0.020  1.090
 C0M  C31  C30   single    1.520  0.020  1.520
 C0M  C31  H311  single    0.970  0.020  1.090
 C0M  C31  H312  single    0.970  0.020  1.090
 C0M  C30  H301  single    0.970  0.020  1.090
 C0M  C30  H302  single    0.970  0.020  1.090
 C0M  N5   C6    single    1.454  0.020  1.454
 C0M  N5   C4    single    1.449  0.020  1.449
 C0M  C6   H61   single    0.970  0.020  1.090
 C0M  C6   H62   single    0.970  0.020  1.090
 C0M  C4   C3    single    1.499  0.020  1.499
 C0M  C4   H41   single    0.970  0.020  1.090
 C0M  C4   H42   single    0.970  0.020  1.090
 C0M  C3   S9    aromatic  1.730  0.020  1.730
 C0M  S9   C8    aromatic  1.720  0.020  1.720
 C0M  C8   C7    aromatic  1.377  0.020  1.377
 C0M  C8   N12   single    1.371  0.020  1.371
 C0M  C7   C10   single    1.412  0.020  1.412
 C0M  C10  N11   triple    1.154  0.020  1.154
 C0M  N12  C13   single    1.366  0.020  1.366
 C0M  N12  HN12  single    0.860  0.020  1.020
 C0M  C13  O14   double    1.217  0.020  1.217
 C0M  C13  C15   single    1.486  0.020  1.486
 C0M  C15  C16   aromatic  1.427  0.020  1.427
 C0M  C15  C20   aromatic  1.374  0.020  1.374
 C0M  C20  C19   aromatic  1.406  0.020  1.406
 C0M  C20  H20   single    0.930  0.020  1.080
 C0M  C19  C18   aromatic  1.365  0.020  1.365
 C0M  C19  H19   single    0.930  0.020  1.080
 C0M  C18  C17   aromatic  1.414  0.020  1.414
 C0M  C18  H18   single    0.930  0.020  1.080
 C0M  C16  C21   aromatic  1.416  0.020  1.416
 C0M  C16  C17   aromatic  1.422  0.020  1.422
 C0M  C21  C22   aromatic  1.369  0.020  1.369
 C0M  C21  H21   single    0.930  0.020  1.080
 C0M  C22  C23   aromatic  1.408  0.020  1.408
 C0M  C22  H22   single    0.930  0.020  1.080
 C0M  C23  C24   aromatic  1.367  0.020  1.367
 C0M  C23  H23   single    0.930  0.020  1.080
 C0M  C24  C17   aromatic  1.415  0.020  1.415
 C0M  C24  H24   single    0.930  0.020  1.080

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
 C0M  H12   C1   H11   106.80  3.000
 C0M  H12   C1   C6    109.72  3.000
 C0M  H11   C1   C6    110.37  3.000
 C0M  H12   C1   C2    110.70  3.000
 C0M  H11   C1   C2    110.41  3.000
 C0M  C6    C1   C2    108.83  3.000
 C0M  C7    C2   C3    111.60  3.000
 C0M  C7    C2   C1    126.50  3.000
 C0M  C3    C2   C1    121.88  3.000
 C0M  N5    C25  C27   117.40  3.000
 C0M  C27   C25  O26   121.34  3.000
 C0M  N5    C25  O26   121.26  3.000
 C0M  H272  C27  H271  106.22  3.000
 C0M  H272  C27  C28   110.84  3.000
 C0M  H271  C27  C28   109.09  3.000
 C0M  H272  C27  C25   109.33  3.000
 C0M  H271  C27  C25   108.89  3.000
 C0M  C28   C27  C25   112.28  3.000
 C0M  H282  C28  H281  106.40  3.000
 C0M  H282  C28  N29   111.60  3.000
 C0M  H281  C28  N29   107.50  3.000
 C0M  H282  C28  C27   109.44  3.000
 C0M  H281  C28  C27   108.89  3.000
 C0M  N29   C28  C27   112.76  3.000
 C0M  C30   N29  C34   110.83  3.000
 C0M  C34   N29  C28   112.68  3.000
 C0M  C30   N29  C28   109.92  3.000
 C0M  H342  C34  H341  106.65  3.000
 C0M  H342  C34  C33   109.39  3.000
 C0M  H341  C34  C33   108.89  3.000
 C0M  H342  C34  N29   110.93  3.000
 C0M  H341  C34  N29   109.30  3.000
 C0M  C33   C34  N29   111.54  3.000
 C0M  H332  C33  H331  107.03  3.000
 C0M  H332  C33  C32   111.03  3.000
 C0M  H331  C33  C32   109.64  3.000
 C0M  H332  C33  C34   109.09  3.000
 C0M  H331  C33  C34   109.01  3.000
 C0M  C32   C33  C34   110.94  3.000
 C0M  H322  C32  H321  106.78  3.000
 C0M  H322  C32  C31   110.94  3.000
 C0M  H321  C32  C31   109.27  3.000
 C0M  H322  C32  C33   110.85  3.000
 C0M  H321  C32  C33   109.40  3.000
 C0M  C31   C32  C33   109.54  3.000
 C0M  H312  C31  H311  107.05  3.000
 C0M  H312  C31  C30   109.35  3.000
 C0M  H311  C31  C30   109.21  3.000
 C0M  H312  C31  C32   109.79  3.000
 C0M  H311  C31  C32   110.90  3.000
 C0M  C30   C31  C32   110.48  3.000
 C0M  H302  C30  H301  106.59  3.000
 C0M  H302  C30  C31   109.86  3.000
 C0M  H301  C30  C31   108.89  3.000
 C0M  H302  C30  N29   108.43  3.000
 C0M  H301  C30  N29   111.11  3.000
 C0M  C31   C30  N29   111.81  3.000
 C0M  C4    N5   C6    113.76  3.000
 C0M  C4    N5   C25   125.00  3.000
 C0M  C6    N5   C25   120.57  3.000
 C0M  H62   C6   H61   107.78  3.000
 C0M  H62   C6   N5    108.18  3.000
 C0M  H61   C6   N5    109.76  3.000
 C0M  H62   C6   C1    109.62  3.000
 C0M  H61   C6   C1    111.04  3.000
 C0M  N5    C6   C1    110.38  3.000
 C0M  H42   C4   H41   106.58  3.000
 C0M  H42   C4   C3    110.25  3.000
 C0M  H41   C4   C3    110.34  3.000
 C0M  H42   C4   N5    111.01  3.000
 C0M  H41   C4   N5    109.97  3.000
 C0M  C3    C4   N5    108.70  3.000
 C0M  S9    C3   C4    122.53  3.000
 C0M  S9    C3   C2    112.85  3.000
 C0M  C4    C3   C2    124.62  3.000
 C0M  C8    S9   C3     91.26  3.000
 C0M  N12   C8   C7    125.40  3.000
 C0M  N12   C8   S9    123.25  3.000
 C0M  C7    C8   S9    111.35  3.000
 C0M  C10   C7   C8    122.87  3.000
 C0M  C10   C7   C2    124.18  3.000
 C0M  C8    C7   C2    112.94  3.000
 C0M  N11   C10  C7    180.00  3.000
 C0M  HN12  N12  C13   118.65  3.000
 C0M  HN12  N12  C8    117.18  3.000
 C0M  C13   N12  C8    123.99  3.000
 C0M  C15   C13  O14   124.27  3.000
 C0M  C15   C13  N12   114.97  3.000
 C0M  O14   C13  N12   120.75  3.000
 C0M  C16   C15  C20   120.42  3.000
 C0M  C20   C15  C13   118.49  3.000
 C0M  C16   C15  C13   121.01  3.000
 C0M  H20   C20  C19   118.55  3.000
 C0M  H20   C20  C15   120.31  3.000
 C0M  C19   C20  C15   121.11  3.000
 C0M  H19   C19  C18   120.68  3.000
 C0M  H19   C19  C20   119.53  3.000
 C0M  C18   C19  C20   119.78  3.000
 C0M  H18   C18  C17   118.84  3.000
 C0M  H18   C18  C19   120.26  3.000
 C0M  C17   C18  C19   120.90  3.000
 C0M  C17   C16  C21   118.09  3.000
 C0M  C17   C16  C15   117.95  3.000
 C0M  C21   C16  C15   123.93  3.000
 C0M  H21   C21  C22   118.77  3.000
 C0M  H21   C21  C16   120.43  3.000
 C0M  C22   C21  C16   120.79  3.000
 C0M  H22   C22  C23   119.57  3.000
 C0M  H22   C22  C21   119.48  3.000
 C0M  C23   C22  C21   120.95  3.000
 C0M  H23   C23  C24   120.41  3.000
 C0M  H23   C23  C22   119.89  3.000
 C0M  C24   C23  C22   119.70  3.000
 C0M  H24   C24  C17   118.59  3.000
 C0M  H24   C24  C23   120.65  3.000
 C0M  C17   C24  C23   120.76  3.000
 C0M  C24   C17  C16   119.69  3.000
 C0M  C24   C17  C18   120.47  3.000
 C0M  C16   C17  C18   119.83  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
 C0M  CONST_01  C8    S9   C3   C2      0.00   0.0  0
 C0M  CONST_02  S9    C8   C7   C2      0.00   0.0  0
 C0M  CONST_03  C8    C7   C2   C3      0.00   0.0  0
 C0M  CONST_04  C7    C8   S9   C3      0.00   0.0  0
 C0M  CONST_05  C7    C2   C3   S9      0.00   0.0  0
 C0M  CONST_06  C22   C21  C16  C15   180.00   0.0  0
 C0M  CONST_07  C18   C17  C16  C15     0.00   0.0  0
 C0M  CONST_08  C24   C17  C16  C15   180.00   0.0  0
 C0M  CONST_09  C18   C19  C20  C15     0.00   0.0  0
 C0M  CONST_10  C21   C16  C15  C20   180.00   0.0  0
 C0M  CONST_11  C17   C16  C15  C20     0.00   0.0  0
 C0M  CONST_12  C17   C18  C19  C20     0.00   0.0  0
 C0M  CONST_13  C16   C15  C20  C19     0.00   0.0  0
 C0M  CONST_14  C16   C17  C18  C19     0.00   0.0  0
 C0M  CONST_15  C24   C17  C18  C19   180.00   0.0  0
 C0M  CONST_16  C21   C16  C17  C18   180.00   0.0  0
 C0M  CONST_17  C23   C24  C17  C18   180.00   0.0  0
 C0M  CONST_18  C23   C22  C21  C16     0.00   0.0  0
 C0M  CONST_19  C23   C24  C17  C16     0.00   0.0  0
 C0M  CONST_20  C24   C17  C16  C21     0.00   0.0  0
 C0M  CONST_21  C24   C23  C22  C21     0.00   0.0  0
 C0M  CONST_22  C17   C16  C21  C22     0.00   0.0  0
 C0M  CONST_23  C17   C24  C23  C22     0.00   0.0  0
 C0M  CONST_24  C10   C7   C2   C1      0.00   0.0  0
 C0M  CONST_25  N12   C8   C7   C2    180.00   0.0  0
 C0M  CONST_26  C10   C7   C2   C3    180.00   0.0  0
 C0M  CONST_27  N12   C8   S9   C3    180.00   0.0  0
 C0M  CONST_28  C10   C7   C8   S9    180.00   0.0  0
 C0M  CONST_29  C21   C16  C15  C13     0.00   0.0  0
 C0M  CONST_30  C17   C16  C15  C13   180.00   0.0  0
 C0M  CONST_31  C19   C20  C15  C13   180.00   0.0  0
 C0M  CONST_32  H21   C21  C16  C15     0.00   0.0  0
 C0M  CONST_33  H19   C19  C20  C15   180.00   0.0  0
 C0M  CONST_34  H18   C18  C19  C20   180.00   0.0  0
 C0M  CONST_35  H20   C20  C19  C18   180.00   0.0  0
 C0M  CONST_36  H24   C24  C17  C18     0.00   0.0  0
 C0M  CONST_37  H22   C22  C21  C16   180.00   0.0  0
 C0M  CONST_38  H23   C23  C22  C21   180.00   0.0  0
 C0M  CONST_39  C6    N5   C25  O26     0.00   0.0  0
 C0M  CONST_40  C4    N5   C25  O26   180.00   0.0  0
 C0M  CONST_41  C6    N5   C25  C27   180.00   0.0  0
 C0M  CONST_42  C4    N5   C25  C27     0.00   0.0  0
 C0M  CONST_43  C15   C13  N12  C8    180.00   0.0  0
 C0M  CONST_44  C13   N12  C8   S9      0.00   0.0  0
 C0M  CONST_45  C13   N12  C8   C7    180.00   0.0  0
 C0M  CONST_46  HN12  N12  C8   S9    180.00   0.0  0
 C0M  CONST_47  O14   C13  N12  C8      0.00   0.0  0
 C0M  Var_01    C4    N5   C6   C1    -67.82  30.0  1
 C0M  Var_02    N5    C6   C1   C2     48.13  30.0  1
 C0M  Var_03    N5    C4   C3   C2    -12.69  30.0  1
 C0M  Var_04    C32   C31  C30  N29   -57.05  30.0  1
 C0M  Var_05    C32   C33  C34  N29    56.49  30.0  1
 C0M  Var_06    C31   C30  N29  C34    58.99  30.0  1
 C0M  Var_07    C31   C32  C33  C34   -53.70  30.0  1
 C0M  Var_08    C30   N29  C34  C33   -58.48  30.0  1
 C0M  Var_09    C30   C31  C32  C33    53.77  30.0  1
 C0M  Var_10    C3    C2   C1   C6    -16.26  30.0  1
 C0M  Var_11    C3    C4   N5   C6     46.72  30.0  1
 C0M  Var_12    C16   C15  C13  N12   136.79  30.0  2
 C0M  Var_13    N29   C28  C27  C25  -167.75  30.0  3
 C0M  Var_14    N5    C25  C27  C28  -171.03  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
 C0M  plan-1  C1    0.020
 C0M  plan-1  C2    0.020
 C0M  plan-1  C4    0.020
 C0M  plan-1  C3    0.020
 C0M  plan-1  S9    0.020
 C0M  plan-1  C8    0.020
 C0M  plan-1  C7    0.020
 C0M  plan-1  C10   0.020
 C0M  plan-1  N11   0.020
 C0M  plan-1  N12   0.020
 C0M  plan-2  C13   0.020
 C0M  plan-2  C15   0.020
 C0M  plan-2  C20   0.020
 C0M  plan-2  C19   0.020
 C0M  plan-2  C18   0.020
 C0M  plan-2  C16   0.020
 C0M  plan-2  C21   0.020
 C0M  plan-2  C22   0.020
 C0M  plan-2  C23   0.020
 C0M  plan-2  C24   0.020
 C0M  plan-2  C17   0.020
 C0M  plan-2  H20   0.020
 C0M  plan-2  H19   0.020
 C0M  plan-2  H18   0.020
 C0M  plan-2  H21   0.020
 C0M  plan-2  H22   0.020
 C0M  plan-2  H23   0.020
 C0M  plan-2  H24   0.020
 C0M  plan-3  C8    0.020
 C0M  plan-3  N12   0.020
 C0M  plan-3  C13   0.020
 C0M  plan-3  O14   0.020
 C0M  plan-3  C15   0.020
 C0M  plan-3  HN12  0.020
 C0M  plan-4  O26   0.020
 C0M  plan-4  C25   0.020
 C0M  plan-4  C27   0.020
 C0M  plan-4  N5    0.020
 C0M  plan-4  C6    0.020
 C0M  plan-4  C4    0.020

