# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Mar  9 23:38:09 2022
#   Inital geometry file: a 176 line input string
#   Ligand name: N-[(1R,2S,5S)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN1CCc2nc(sc2C1)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=O)c4[nH]c5ccc(Cl)cc5c4)C(=O)N(C)C
#
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
 DT8  DT8  N-[(1R,2S,5S)-2-{[(5-chloro-1H-indol-2-yl)carbonyl]amino}-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide  ligand  68  37  .  2022-03-18  2022-03-18
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_DT8
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
 DT8  O34   O   O     0  -0.509   -0.2256    0.3026   1.5600
 DT8  C21   C   C     0   0.600   -0.8604   -0.3126   0.7090
 DT8  N35   N   NT    0  -0.448   -1.2133    0.2694  -0.4528
 DT8  C37   C   CH3   0  -0.522   -0.8904    1.6715  -0.6465
 DT8  C36   C   CH3   0  -0.538   -1.8966   -0.3916  -1.5483
 DT8  C17   C   CH1   0  -0.425   -1.2488   -1.7643   0.9388
 DT8  C18   C   CH2   0  -0.431   -0.1503   -2.6960   0.4093
 DT8  C19   C   CH2   0  -0.455   -0.5101   -4.1593   0.6385
 DT8  C13   C   CH1   0  -0.057   -0.8134   -4.4424   2.1100
 DT8  N12   N   NH1   0  -0.665   -1.2253   -5.8120   2.3275
 DT8  C11   C   C     0   0.496   -0.3649   -6.8226   2.5213
 DT8  O14   O   O     0  -0.491    0.8501   -6.6839   2.5882
 DT8  C8    C   CR5   0   0.264   -0.9719   -8.1616   2.6691
 DT8  N7    N   NR15  0  -0.721   -0.1468   -9.2436   2.7944
 DT8  C5    C   CR5   0   0.362   -0.8931  -10.3700   2.9220
 DT8  C4    C   C1    0  -0.305   -0.5062  -11.7019   3.0755
 DT8  C3    C   C1    0  -0.237   -1.4999  -12.6492   3.1849
 DT8  C2    C   C     0  -0.050   -2.8533  -12.2708   3.1412
 DT8  CL1   CL  CL    0  -0.140   -4.0583  -13.5168   3.2835
 DT8  C9    C   CR15  0  -0.424   -2.2786   -8.5758   2.7163
 DT8  C6    C   CR5   0   0.069   -2.2530   -9.9881   2.8775
 DT8  C1    C   C1    0  -0.302   -3.2522  -10.9640   2.9908
 DT8  C16   C   CH2   0  -0.406   -1.4802   -2.0368   2.4230
 DT8  C15   C   CH1   0  -0.134   -1.8748   -3.4918   2.6731
 DT8  N20   N   NH1   0  -0.666   -3.1829   -3.8028   2.1212
 DT8  C22   C   C     0   0.544   -4.3128   -3.7519   2.8457
 DT8  O32   O   O     0  -0.466   -4.3767   -3.5584   4.0493
 DT8  C23   C   CR5   0  -0.092   -5.5516   -3.9642   2.0627
 DT8  S27   S   S2    0   0.295   -7.0668   -3.9348   2.8734
 DT8  C26   C   CR5   0  -0.293   -7.8353   -4.2181   1.3719
 DT8  C28   C   CH2   0  -0.301   -9.3053   -4.3474   1.1524
 DT8  N29   N   NT    0  -0.421   -9.5942   -4.1987  -0.2608
 DT8  C33   C   CH3   0  -0.523  -11.0003   -4.4192  -0.5174
 DT8  C30   C   CH2   0  -0.298   -8.7469   -5.0521  -1.0781
 DT8  C31   C   CH2   0  -0.510   -7.2982   -4.5778  -1.0345
 DT8  C25   C   CR5   0   0.353   -6.9037   -4.3181   0.3793
 DT8  N24   N   N     0  -0.404   -5.6145   -4.1666   0.7855
 DT8  H371  H   HCH3  0   0.246   -1.1076    2.2537   0.2467
 DT8  H372  H   HCH3  0   0.246   -1.4963    2.0629  -1.4601
 DT8  H373  H   HCH3  0   0.239    0.1610    1.8158  -0.9037
 DT8  H361  H   HCH3  0   0.247   -2.9705   -0.1931  -1.5361
 DT8  H362  H   HCH3  0   0.256   -1.7445   -1.4661  -1.5385
 DT8  H363  H   HCH3  0   0.258   -1.4942   -0.0275  -2.4921
 DT8  H17   H   HCH1  0   0.256   -2.1786   -1.9854   0.4068
 DT8  H181  H   HCH2  0   0.241    0.7893   -2.4582   0.9177
 DT8  H182  H   HCH2  0   0.254    0.0250   -2.5288  -0.6557
 DT8  H191  H   HCH2  0   0.230   -1.3695   -4.4353   0.0180
 DT8  H192  H   HCH2  0   0.261    0.3134   -4.7985   0.3150
 DT8  H13   H   HCH1  0   0.272    0.0950   -4.2693   2.6909
 DT8  HN12  H   HNH1  0   0.401   -2.2019   -6.0194   2.1836
 DT8  HN7   H   HNR5  0   0.413    0.8598   -9.1923   2.7924
 DT8  H4    H   H     0   0.276    0.5363  -11.9892   3.1108
 DT8  H3    H   H     0   0.278   -1.2388  -13.6916   3.3060
 DT8  H9    H   HCR5  0   0.260   -3.1614   -7.9586   2.6555
 DT8  H1    H   H     0   0.275   -4.3001  -10.6961   2.9591
 DT8  H161  H   HCH2  0   0.245   -0.5697   -1.8253   2.9873
 DT8  H162  H   HCH2  0   0.259   -2.2601   -1.3856   2.8228
 DT8  H15   H   HCH1  0   0.286   -1.9411   -3.6568   3.7489
 DT8  HN20  H   HNH1  0   0.412   -3.2964   -3.8823   1.1197
 DT8  H281  H   HCH2  0   0.229   -9.6451   -5.3203   1.5499
 DT8  H282  H   HCH2  0   0.266   -9.8469   -3.5791   1.7103
 DT8  H331  H   HCH3  0   0.237  -11.6001   -3.7310   0.0797
 DT8  H332  H   HCH3  0   0.199  -11.3311   -5.4426  -0.2836
 DT8  H333  H   HCH3  0   0.240  -11.2199   -4.2276  -1.5678
 DT8  H301  H   HCH2  0   0.249   -9.1074   -5.0148  -2.1069
 DT8  H302  H   HCH2  0   0.207   -8.8038   -6.1063  -0.7589
 DT8  H311  H   HCH2  0   0.256   -7.1826   -3.6680  -1.6299
 DT8  H312  H   HCH2  0   0.256   -6.6456   -5.3322  -1.4782

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
 DT8  O34  C21   double    1.227  0.020  1.227
 DT8  C21  N35   single    1.347  0.020  1.347
 DT8  C21  C17   single    1.520  0.020  1.520
 DT8  N35  C36   single    1.451  0.020  1.451
 DT8  N35  C37   single    1.452  0.020  1.452
 DT8  C37  H371  single    0.970  0.020  1.090
 DT8  C37  H372  single    0.970  0.020  1.090
 DT8  C37  H373  single    0.970  0.020  1.090
 DT8  C36  H361  single    0.970  0.020  1.090
 DT8  C36  H362  single    0.970  0.020  1.090
 DT8  C36  H363  single    0.970  0.020  1.090
 DT8  C17  C18   single    1.535  0.020  1.535
 DT8  C17  C16   single    1.527  0.020  1.527
 DT8  C17  H17   single    0.970  0.020  1.090
 DT8  C18  C19   single    1.524  0.020  1.524
 DT8  C18  H181  single    0.970  0.020  1.090
 DT8  C18  H182  single    0.970  0.020  1.090
 DT8  C19  C13   single    1.529  0.020  1.529
 DT8  C19  H191  single    0.970  0.020  1.090
 DT8  C19  H192  single    0.970  0.020  1.090
 DT8  C13  C15   single    1.532  0.020  1.532
 DT8  C13  N12   single    1.447  0.020  1.447
 DT8  C13  H13   single    0.970  0.020  1.090
 DT8  N12  C11   single    1.341  0.020  1.341
 DT8  N12  HN12  single    0.860  0.020  1.020
 DT8  C11  C8    single    1.478  0.020  1.478
 DT8  C11  O14   double    1.225  0.020  1.225
 DT8  C8   C9    double    1.372  0.020  1.372
 DT8  C8   N7    single    1.366  0.020  1.366
 DT8  N7   C5    single    1.357  0.020  1.357
 DT8  N7   HN7   single    0.860  0.020  1.020
 DT8  C5   C6    aromatic  1.413  0.020  1.413
 DT8  C5   C4    aromatic  1.395  0.020  1.395
 DT8  C4   C3    aromatic  1.377  0.020  1.377
 DT8  C4   H4    single    0.930  0.020  1.080
 DT8  C3   C2    aromatic  1.406  0.020  1.406
 DT8  C3   H3    single    0.930  0.020  1.080
 DT8  C2   C1    aromatic  1.375  0.020  1.375
 DT8  C2   CL1   single    1.739  0.020  1.739
 DT8  C9   C6    single    1.422  0.020  1.422
 DT8  C9   H9    single    0.930  0.020  1.080
 DT8  C6   C1    aromatic  1.401  0.020  1.401
 DT8  C1   H1    single    0.930  0.020  1.080
 DT8  C16  C15   single    1.528  0.020  1.528
 DT8  C16  H161  single    0.970  0.020  1.090
 DT8  C16  H162  single    0.970  0.020  1.090
 DT8  C15  N20   single    1.453  0.020  1.453
 DT8  C15  H15   single    0.970  0.020  1.090
 DT8  N20  C22   single    1.343  0.020  1.343
 DT8  N20  HN20  single    0.860  0.020  1.020
 DT8  C22  C23   single    1.481  0.020  1.481
 DT8  C22  O32   double    1.221  0.020  1.221
 DT8  C23  N24   double    1.295  0.020  1.295
 DT8  C23  S27   single    1.719  0.020  1.719
 DT8  S27  C26   single    1.710  0.020  1.710
 DT8  C26  C28   single    1.492  0.020  1.492
 DT8  C26  C25   double    1.365  0.020  1.365
 DT8  C28  N29   single    1.450  0.020  1.450
 DT8  C28  H281  single    0.970  0.020  1.090
 DT8  C28  H282  single    0.970  0.020  1.090
 DT8  N29  C33   single    1.446  0.020  1.446
 DT8  N29  C30   single    1.454  0.020  1.454
 DT8  C33  H331  single    0.970  0.020  1.090
 DT8  C33  H332  single    0.970  0.020  1.090
 DT8  C33  H333  single    0.970  0.020  1.090
 DT8  C30  C31   single    1.525  0.020  1.525
 DT8  C30  H301  single    0.970  0.020  1.090
 DT8  C30  H302  single    0.970  0.020  1.090
 DT8  C31  C25   single    1.491  0.020  1.491
 DT8  C31  H311  single    0.970  0.020  1.090
 DT8  C31  H312  single    0.970  0.020  1.090
 DT8  C25  N24   single    1.360  0.020  1.360

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
 DT8  C17   C21  N35   118.43  3.000
 DT8  C17   C21  O34   120.41  3.000
 DT8  N35   C21  O34   121.15  3.000
 DT8  C36   N35  C37   116.37  3.000
 DT8  C37   N35  C21   118.31  3.000
 DT8  C36   N35  C21   125.32  3.000
 DT8  H373  C37  H372  108.23  3.000
 DT8  H373  C37  H371  108.35  3.000
 DT8  H372  C37  H371  108.08  3.000
 DT8  H373  C37  N35   111.91  3.000
 DT8  H372  C37  N35   108.88  3.000
 DT8  H371  C37  N35   111.27  3.000
 DT8  H363  C36  H362  106.68  3.000
 DT8  H363  C36  H361  108.20  3.000
 DT8  H362  C36  H361  108.52  3.000
 DT8  H363  C36  N35   109.16  3.000
 DT8  H362  C36  N35   112.23  3.000
 DT8  H361  C36  N35   111.83  3.000
 DT8  H17   C17  C16   107.94  3.000
 DT8  H17   C17  C18   108.54  3.000
 DT8  C16   C17  C18   109.61  3.000
 DT8  H17   C17  C21   109.68  3.000
 DT8  C16   C17  C21   110.86  3.000
 DT8  C18   C17  C21   110.16  3.000
 DT8  H182  C18  H181  106.37  3.000
 DT8  H182  C18  C19   109.35  3.000
 DT8  H181  C18  C19   109.97  3.000
 DT8  H182  C18  C17   111.00  3.000
 DT8  H181  C18  C17   108.81  3.000
 DT8  C19   C18  C17   111.22  3.000
 DT8  H192  C19  H191  106.05  3.000
 DT8  H192  C19  C13   109.05  3.000
 DT8  H191  C19  C13   110.06  3.000
 DT8  H192  C19  C18   109.85  3.000
 DT8  H191  C19  C18   110.00  3.000
 DT8  C13   C19  C18   111.67  3.000
 DT8  H13   C13  C15   106.41  3.000
 DT8  H13   C13  N12   107.87  3.000
 DT8  C15   C13  N12   109.57  3.000
 DT8  H13   C13  C19   108.51  3.000
 DT8  N12   C13  C19   112.11  3.000
 DT8  C15   C13  C19   112.10  3.000
 DT8  HN12  N12  C11   119.13  3.000
 DT8  HN12  N12  C13   116.67  3.000
 DT8  C11   N12  C13   123.53  3.000
 DT8  C8    C11  O14   120.31  3.000
 DT8  O14   C11  N12   123.99  3.000
 DT8  C8    C11  N12   115.71  3.000
 DT8  C9    C8   N7    109.45  3.000
 DT8  N7    C8   C11   118.60  3.000
 DT8  C9    C8   C11   131.95  3.000
 DT8  HN7   N7   C5    126.27  3.000
 DT8  HN7   N7   C8    124.24  3.000
 DT8  C5    N7   C8    109.49  3.000
 DT8  C6    C5   C4    121.88  3.000
 DT8  C4    C5   N7    130.54  3.000
 DT8  C6    C5   N7    107.57  3.000
 DT8  H4    C4   C3    120.66  3.000
 DT8  H4    C4   C5    121.61  3.000
 DT8  C3    C4   C5    117.72  3.000
 DT8  H3    C3   C2    119.69  3.000
 DT8  H3    C3   C4    119.85  3.000
 DT8  C2    C3   C4    120.46  3.000
 DT8  C1    C2   CL1   119.27  3.000
 DT8  CL1   C2   C3    118.14  3.000
 DT8  C1    C2   C3    122.59  3.000
 DT8  H9    C9   C6    126.11  3.000
 DT8  H9    C9   C8    127.22  3.000
 DT8  C6    C9   C8    106.66  3.000
 DT8  C1    C6   C9    133.49  3.000
 DT8  C1    C6   C5    119.70  3.000
 DT8  C9    C6   C5    106.82  3.000
 DT8  H1    C1   C6    121.04  3.000
 DT8  H1    C1   C2    121.31  3.000
 DT8  C6    C1   C2    117.65  3.000
 DT8  H162  C16  H161  106.91  3.000
 DT8  H162  C16  C15   108.87  3.000
 DT8  H161  C16  C15   108.37  3.000
 DT8  H162  C16  C17   110.97  3.000
 DT8  H161  C16  C17   109.97  3.000
 DT8  C15   C16  C17   111.60  3.000
 DT8  H15   C15  N20   106.71  3.000
 DT8  H15   C15  C16   108.74  3.000
 DT8  N20   C15  C16   111.96  3.000
 DT8  H15   C15  C13   108.11  3.000
 DT8  N20   C15  C13   110.56  3.000
 DT8  C16   C15  C13   110.59  3.000
 DT8  HN20  N20  C22   116.28  3.000
 DT8  HN20  N20  C15   119.60  3.000
 DT8  C22   N20  C15   122.97  3.000
 DT8  C23   C22  O32   120.02  3.000
 DT8  O32   C22  N20   125.58  3.000
 DT8  C23   C22  N20   114.40  3.000
 DT8  N24   C23  S27   115.16  3.000
 DT8  S27   C23  C22   119.06  3.000
 DT8  N24   C23  C22   125.78  3.000
 DT8  C26   S27  C23    88.81  3.000
 DT8  C25   C26  C28   124.00  3.000
 DT8  C25   C26  S27   110.11  3.000
 DT8  C28   C26  S27   125.89  3.000
 DT8  H282  C28  H281  106.44  3.000
 DT8  H282  C28  N29   109.06  3.000
 DT8  H281  C28  N29   112.32  3.000
 DT8  H282  C28  C26   110.62  3.000
 DT8  H281  C28  C26   109.06  3.000
 DT8  N29   C28  C26   109.32  3.000
 DT8  C30   N29  C33   112.17  3.000
 DT8  C30   N29  C28   111.81  3.000
 DT8  C33   N29  C28   110.55  3.000
 DT8  H333  C33  H332  107.92  3.000
 DT8  H333  C33  H331  107.80  3.000
 DT8  H332  C33  H331  107.76  3.000
 DT8  H333  C33  N29   109.88  3.000
 DT8  H332  C33  N29   113.35  3.000
 DT8  H331  C33  N29   109.96  3.000
 DT8  H302  C30  H301  106.77  3.000
 DT8  H302  C30  C31   109.76  3.000
 DT8  H301  C30  C31   109.29  3.000
 DT8  H302  C30  N29   111.61  3.000
 DT8  H301  C30  N29   108.51  3.000
 DT8  C31   C30  N29   110.79  3.000
 DT8  H312  C31  H311  106.88  3.000
 DT8  H312  C31  C25   110.34  3.000
 DT8  H311  C31  C25   110.09  3.000
 DT8  H312  C31  C30   109.96  3.000
 DT8  H311  C31  C30   110.10  3.000
 DT8  C25   C31  C30   109.43  3.000
 DT8  N24   C25  C31   123.61  3.000
 DT8  N24   C25  C26   114.93  3.000
 DT8  C31   C25  C26   121.46  3.000
 DT8  C25   N24  C23   110.99  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
 DT8  CONST_01  C2    C1   C6   C5     0.00   0.0  0
 DT8  CONST_02  C2    C3   C4   C5     0.00   0.0  0
 DT8  CONST_03  C1    C6   C5   C4     0.00   0.0  0
 DT8  CONST_04  C1    C2   C3   C4     0.00   0.0  0
 DT8  CONST_05  C6    C5   C4   C3     0.00   0.0  0
 DT8  CONST_06  C6    C1   C2   C3     0.00   0.0  0
 DT8  CONST_07  CL1   C2   C3   C4   180.00   0.0  0
 DT8  CONST_08  C6    C1   C2   CL1  180.00   0.0  0
 DT8  CONST_09  H4    C4   C5   N7     0.00   0.0  0
 DT8  CONST_10  H1    C1   C6   C5   180.00   0.0  0
 DT8  CONST_11  H3    C3   C4   C5   180.00   0.0  0
 DT8  CONST_12  C8    C11  N12  C13  180.00   0.0  0
 DT8  CONST_13  C23   C22  N20  C15  180.00   0.0  0
 DT8  CONST_14  C17   C21  N35  C37  180.00   0.0  0
 DT8  CONST_15  C17   C21  N35  C36    0.00   0.0  0
 DT8  CONST_16  O14   C11  N12  C13    0.00   0.0  0
 DT8  CONST_17  O32   C22  N20  C15    0.00   0.0  0
 DT8  CONST_18  HN12  N12  C11  C8     0.00   0.0  0
 DT8  CONST_19  HN20  N20  C22  C23    0.00   0.0  0
 DT8  CONST_20  C36   N35  C21  O34  180.00   0.0  0
 DT8  CONST_21  C37   N35  C21  O34    0.00   0.0  0
 DT8  Var_01    C13   C19  C18  C17  -55.12  30.0  1
 DT8  Var_02    N29   C28  C26  S27  163.80  30.0  1
 DT8  Var_03    C30   N29  C28  C26   49.98  30.0  1
 DT8  Var_04    C30   C31  C25  C26  -14.61  30.0  1
 DT8  Var_05    C31   C30  N29  C28  -68.57  30.0  1
 DT8  Var_06    C25   C31  C30  N29   47.18  30.0  1
 DT8  Var_07    C9    C8   C11  N12   -3.96  30.0  2
 DT8  Var_08    N24   C23  C22  N20   -1.01  30.0  2
 DT8  Var_09    H331  C33  N29  C28   57.03  30.0  3
 DT8  Var_10    H361  C36  N35  C21   98.47  30.0  3
 DT8  Var_11    H371  C37  N35  C21  -43.33  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
 DT8  chir_01  C17  C21  C18  C16  negativ
 DT8  chir_02  C13  N12  C19  C15  negativ
 DT8  chir_03  C15  N20  C16  C13  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
 DT8  plan-1  C11   0.020
 DT8  plan-1  C8    0.020
 DT8  plan-1  N7    0.020
 DT8  plan-1  C5    0.020
 DT8  plan-1  C4    0.020
 DT8  plan-1  C3    0.020
 DT8  plan-1  C2    0.020
 DT8  plan-1  CL1   0.020
 DT8  plan-1  C9    0.020
 DT8  plan-1  C6    0.020
 DT8  plan-1  C1    0.020
 DT8  plan-1  HN7   0.020
 DT8  plan-1  H4    0.020
 DT8  plan-1  H3    0.020
 DT8  plan-1  H9    0.020
 DT8  plan-1  H1    0.020
 DT8  plan-2  C22   0.020
 DT8  plan-2  C23   0.020
 DT8  plan-2  S27   0.020
 DT8  plan-2  C26   0.020
 DT8  plan-2  C28   0.020
 DT8  plan-2  C31   0.020
 DT8  plan-2  C25   0.020
 DT8  plan-2  N24   0.020
 DT8  plan-3  O34   0.020
 DT8  plan-3  C21   0.020
 DT8  plan-3  N35   0.020
 DT8  plan-3  C37   0.020
 DT8  plan-3  C36   0.020
 DT8  plan-3  C17   0.020
 DT8  plan-4  C13   0.020
 DT8  plan-4  N12   0.020
 DT8  plan-4  C11   0.020
 DT8  plan-4  O14   0.020
 DT8  plan-4  C8    0.020
 DT8  plan-4  HN12  0.020
 DT8  plan-5  C15   0.020
 DT8  plan-5  N20   0.020
 DT8  plan-5  C22   0.020
 DT8  plan-5  O32   0.020
 DT8  plan-5  C23   0.020
 DT8  plan-5  HN20  0.020

