# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 27 22:20:49 2020
#   Inital geometry file: a 159 line input string
#   Ligand name: Nalpha-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-N-[4-(1H-tetrazol-5-yl)phenyl]-L-phenylalaninamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Clc1ccc(n2cnnn2)c(/C=C/C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc4ccc(cc4)c5[nH]nnn5)c1
#
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
 OTM  OTM  Nalpha-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-N-[4-(1H-tetrazol-5-yl)phenyl]-L-phenylalaninamide  ligand  60  39  .  2021-08-17  2021-08-17  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_OTM
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
 OTM  C24   C   C     0   0.598  -1.3084   0.5593  -0.0365
 OTM  O25   O   O     0  -0.477  -1.3581   1.4299  -0.8916
 OTM  C26   C   C1    0  -0.393  -2.4521  -0.3381   0.2642
 OTM  C27   C   C1    0  -0.230  -3.5973  -0.2211  -0.4087
 OTM  C28   C   CR6   0   0.159  -4.7890  -1.0408  -0.1911
 OTM  C29   C   CR16  0  -0.293  -4.9688  -1.7677   0.9863
 OTM  C30   C   CR6   0  -0.005  -6.0875  -2.5600   1.1601
 OTM  C31   C   CR16  0  -0.232  -7.0665  -2.6567   0.1817
 OTM  C32   C   CR16  0  -0.242  -6.9107  -1.9288  -0.9842
 OTM  C33   C   CR6   0   0.282  -5.7917  -1.1329  -1.1614
 OTM  N34   N   NR5   0  -0.402  -5.6723  -0.4151  -2.3793
 OTM  C35   C   CR15  0   0.152  -5.3795  -0.8603  -3.6046
 OTM  N36   N   N     0  -0.323  -5.4088   0.1574  -4.4220
 OTM  N37   N   N     0  -0.121  -5.7219   1.2191  -3.6759
 OTM  N38   N   N     0  -0.078  -5.8862   0.8971  -2.4568
 OTM  CL    CL  CL    0  -0.100  -6.2727  -3.4421   2.6327
 OTM  N23   N   NH1   0  -0.659  -0.2157   0.3125   0.7148
 OTM  C8    C   CH1   0  -0.226   0.9624   1.1318   0.6863
 OTM  C9    C   C     0   0.562   2.2000   0.2447   0.6001
 OTM  O10   O   O     0  -0.448   2.2339  -0.8525   1.1201
 OTM  C7    C   CH2   0  -0.523   1.0656   2.0183   1.9478
 OTM  C4    C   CR6   0   0.145  -0.1505   2.8834   2.1045
 OTM  C3    C   CR16  0  -0.305  -1.2330   2.4523   2.8660
 OTM  C5    C   CR16  0  -0.296  -0.2390   4.1101   1.4514
 OTM  C2    C   CR16  0  -0.238  -2.3814   3.2255   2.9705
 OTM  C6    C   CR16  0  -0.241  -1.3827   4.8884   1.5562
 OTM  C1    C   CR16  0  -0.270  -2.4597   4.4463   2.3144
 OTM  N11   N   NH1   0  -0.745   3.2362   0.8268  -0.0528
 OTM  C12   C   CR6   0   0.391   4.5342   0.3600  -0.2459
 OTM  C13   C   CR16  0  -0.336   5.4040   1.1981  -0.9510
 OTM  C14   C   CR16  0  -0.261   6.7066   0.8214  -1.1946
 OTM  C15   C   CR6   0   0.040   7.1838  -0.4087  -0.7406
 OTM  C16   C   CR16  0  -0.270   6.3162  -1.2404  -0.0393
 OTM  C17   C   CR16  0  -0.298   5.0055  -0.8718   0.2114
 OTM  C18   C   CR5   0   0.504   8.5619  -0.7837  -1.0086
 OTM  N19   N   NR15  0  -0.509   9.1615  -1.9295  -0.6701
 OTM  N20   N   N     0  -0.074  10.4167  -1.9030  -1.0847
 OTM  N21   N   N     0  -0.139  10.5809  -0.7778  -1.6583
 OTM  N22   N   N     0  -0.347   9.4634  -0.0569  -1.6339
 OTM  H26   H   H     0   0.281  -2.3195  -1.0840   1.0396
 OTM  H27   H   H     0   0.262  -3.6483   0.5343  -1.1835
 OTM  H29   H   HCR6  0   0.291  -4.2356  -1.7037   1.7782
 OTM  H31   H   HCR6  0   0.299  -7.9395  -3.2772   0.3265
 OTM  H32   H   HCR6  0   0.301  -7.6661  -1.9791  -1.7567
 OTM  H35   H   HCR5  0   0.336  -5.1559  -1.8873  -3.8410
 OTM  H23   H   HNH1  0   0.404  -0.2543  -0.4198   1.4071
 OTM  H8    H   HCH1  0   0.300   0.8955   1.7738  -0.1932
 OTM  H71C  H   HCH2  0   0.273   1.9661   2.6323   1.8748
 OTM  H72C  H   HCH2  0   0.269   1.1871   1.3737   2.8221
 OTM  H3    H   HCR6  0   0.246  -1.1760   1.5051   3.3891
 OTM  H5    H   HCR6  0   0.246   0.5961   4.4632   0.8570
 OTM  H2    H   HCR6  0   0.252  -3.2132   2.8751   3.5683
 OTM  H6    H   HCR6  0   0.253  -1.4338   5.8420   1.0464
 OTM  H1    H   HCR6  0   0.253  -3.3523   5.0533   2.3954
 OTM  H11   H   HNH1  0   0.426   3.0455   1.7251  -0.4719
 OTM  H13   H   HCR6  0   0.284   5.0541   2.1571  -1.3130
 OTM  H17   H   HCR6  0   0.293   4.3696  -1.5462   0.7592
 OTM  H14   H   HCR6  0   0.272   7.3564   1.4889  -1.7440
 OTM  H16   H   HCR6  0   0.259   6.6436  -2.2030   0.3324
 OTM  H19   H   HNR5  0   0.450   8.8046  -2.7400  -0.1842

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
 OTM  C1   C2    aromatic  1.388  0.020  1.388
 OTM  C1   C6    aromatic  1.389  0.020  1.389
 OTM  C2   C3    aromatic  1.388  0.020  1.388
 OTM  C3   C4    aromatic  1.392  0.020  1.392
 OTM  C4   C5    aromatic  1.393  0.020  1.393
 OTM  C4   C7    single    1.501  0.020  1.501
 OTM  C5   C6    aromatic  1.387  0.020  1.387
 OTM  C7   C8    single    1.545  0.020  1.545
 OTM  C8   C9    single    1.525  0.020  1.525
 OTM  C8   N23   single    1.435  0.020  1.435
 OTM  C9   O10   double    1.215  0.020  1.215
 OTM  C9   N11   single    1.356  0.020  1.356
 OTM  N11  C12   single    1.393  0.020  1.393
 OTM  C12  C13   aromatic  1.399  0.020  1.399
 OTM  C12  C17   aromatic  1.396  0.020  1.396
 OTM  C13  C14   aromatic  1.378  0.020  1.378
 OTM  C14  C15   aromatic  1.395  0.020  1.395
 OTM  C15  C16   aromatic  1.392  0.020  1.392
 OTM  C15  C18   single    1.453  0.020  1.453
 OTM  C16  C17   aromatic  1.384  0.020  1.384
 OTM  C18  N19   aromatic  1.337  0.020  1.337
 OTM  C18  N22   aromatic  1.316  0.020  1.316
 OTM  N19  N20   aromatic  1.322  0.020  1.322
 OTM  N20  N21   aromatic  1.274  0.020  1.274
 OTM  N21  N22   aromatic  1.330  0.020  1.330
 OTM  N23  C24   single    1.349  0.020  1.349
 OTM  C24  O25   double    1.221  0.020  1.221
 OTM  C24  C26   single    1.484  0.020  1.484
 OTM  C26  C27   double    1.333  0.020  1.333
 OTM  C27  C28   single    1.463  0.020  1.463
 OTM  C28  C29   aromatic  1.395  0.020  1.395
 OTM  C28  C33   aromatic  1.398  0.020  1.398
 OTM  C29  C30   aromatic  1.382  0.020  1.382
 OTM  C30  C31   aromatic  1.387  0.020  1.387
 OTM  C30  CL    single    1.727  0.020  1.727
 OTM  C31  C32   aromatic  1.383  0.020  1.383
 OTM  C32  C33   aromatic  1.385  0.020  1.385
 OTM  C33  N34   single    1.419  0.020  1.419
 OTM  N34  C35   aromatic  1.336  0.020  1.336
 OTM  N34  N38   aromatic  1.332  0.020  1.332
 OTM  C35  N36   aromatic  1.306  0.020  1.306
 OTM  N36  N37   aromatic  1.335  0.020  1.335
 OTM  N37  N38   aromatic  1.272  0.020  1.272
 OTM  C1   H1    single    0.930  0.020  1.080
 OTM  C2   H2    single    0.930  0.020  1.080
 OTM  C6   H6    single    0.930  0.020  1.080
 OTM  C3   H3    single    0.930  0.020  1.080
 OTM  C5   H5    single    0.930  0.020  1.080
 OTM  C7   H71C  single    0.970  0.020  1.090
 OTM  C7   H72C  single    0.970  0.020  1.090
 OTM  C8   H8    single    0.970  0.020  1.090
 OTM  N23  H23   single    0.860  0.020  1.020
 OTM  N11  H11   single    0.860  0.020  1.020
 OTM  C13  H13   single    0.930  0.020  1.080
 OTM  C17  H17   single    0.930  0.020  1.080
 OTM  C14  H14   single    0.930  0.020  1.080
 OTM  C16  H16   single    0.930  0.020  1.080
 OTM  N19  H19   single    0.860  0.020  1.020
 OTM  C26  H26   single    0.930  0.020  1.080
 OTM  C27  H27   single    0.930  0.020  1.080
 OTM  C29  H29   single    0.930  0.020  1.080
 OTM  C31  H31   single    0.930  0.020  1.080
 OTM  C32  H32   single    0.930  0.020  1.080
 OTM  C35  H35   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
 OTM  N23   C24  C26   113.62  3.000
 OTM  C26   C24  O25   122.78  3.000
 OTM  N23   C24  O25   123.60  3.000
 OTM  H26   C26  C27   121.76  3.000
 OTM  H26   C26  C24   117.81  3.000
 OTM  C27   C26  C24   120.43  3.000
 OTM  H27   C27  C28   117.31  3.000
 OTM  H27   C27  C26   117.56  3.000
 OTM  C28   C27  C26   125.13  3.000
 OTM  C33   C28  C29   117.31  3.000
 OTM  C33   C28  C27   121.19  3.000
 OTM  C29   C28  C27   121.50  3.000
 OTM  H29   C29  C30   119.40  3.000
 OTM  H29   C29  C28   119.99  3.000
 OTM  C30   C29  C28   120.61  3.000
 OTM  CL    C30  C31   119.35  3.000
 OTM  CL    C30  C29   119.15  3.000
 OTM  C31   C30  C29   121.50  3.000
 OTM  H31   C31  C32   120.39  3.000
 OTM  H31   C31  C30   121.03  3.000
 OTM  C32   C31  C30   118.57  3.000
 OTM  H32   C32  C33   119.98  3.000
 OTM  H32   C32  C31   119.93  3.000
 OTM  C33   C32  C31   120.09  3.000
 OTM  N34   C33  C32   117.95  3.000
 OTM  N34   C33  C28   120.13  3.000
 OTM  C32   C33  C28   121.91  3.000
 OTM  N38   N34  C35   108.07  3.000
 OTM  N38   N34  C33   122.34  3.000
 OTM  C35   N34  C33   129.58  3.000
 OTM  H35   C35  N36   127.61  3.000
 OTM  H35   C35  N34   124.36  3.000
 OTM  N36   C35  N34   108.03  3.000
 OTM  N37   N36  C35   105.98  3.000
 OTM  N38   N37  N36   111.39  3.000
 OTM  N37   N38  N34   106.53  3.000
 OTM  H23   N23  C8    117.36  3.000
 OTM  H23   N23  C24   118.96  3.000
 OTM  C8    N23  C24   123.33  3.000
 OTM  H8    C8   C7    108.94  3.000
 OTM  H8    C8   C9    110.27  3.000
 OTM  C7    C8   C9    109.00  3.000
 OTM  H8    C8   N23   107.56  3.000
 OTM  C9    C8   N23   109.59  3.000
 OTM  C7    C8   N23   111.48  3.000
 OTM  N11   C9   O10   124.93  3.000
 OTM  N11   C9   C8    113.43  3.000
 OTM  O10   C9   C8    121.59  3.000
 OTM  H72C  C7   H71C  107.06  3.000
 OTM  H72C  C7   C4    110.28  3.000
 OTM  H71C  C7   C4    110.55  3.000
 OTM  H72C  C7   C8    108.79  3.000
 OTM  H71C  C7   C8    108.85  3.000
 OTM  C4    C7   C8    111.21  3.000
 OTM  C5    C4   C3    118.68  3.000
 OTM  C5    C4   C7    120.69  3.000
 OTM  C3    C4   C7    120.58  3.000
 OTM  H3    C3   C2    119.60  3.000
 OTM  H3    C3   C4    119.60  3.000
 OTM  C2    C3   C4    120.79  3.000
 OTM  H5    C5   C6    119.59  3.000
 OTM  H5    C5   C4    119.67  3.000
 OTM  C6    C5   C4    120.74  3.000
 OTM  H2    C2   C1    120.15  3.000
 OTM  H2    C2   C3    119.79  3.000
 OTM  C1    C2   C3    120.05  3.000
 OTM  H6    C6   C1    120.05  3.000
 OTM  H6    C6   C5    119.84  3.000
 OTM  C1    C6   C5    120.11  3.000
 OTM  H1    C1   C6    120.11  3.000
 OTM  H1    C1   C2    120.28  3.000
 OTM  C6    C1   C2    119.61  3.000
 OTM  H11   N11  C12   114.63  3.000
 OTM  H11   N11  C9    115.95  3.000
 OTM  C12   N11  C9    129.42  3.000
 OTM  C17   C12  C13   118.95  3.000
 OTM  C17   C12  N11   124.40  3.000
 OTM  C13   C12  N11   116.65  3.000
 OTM  H13   C13  C14   119.24  3.000
 OTM  H13   C13  C12   119.88  3.000
 OTM  C14   C13  C12   120.88  3.000
 OTM  H14   C14  C15   120.26  3.000
 OTM  H14   C14  C13   119.28  3.000
 OTM  C15   C14  C13   120.46  3.000
 OTM  C18   C15  C16   122.00  3.000
 OTM  C18   C15  C14   119.46  3.000
 OTM  C16   C15  C14   118.54  3.000
 OTM  H16   C16  C17   117.45  3.000
 OTM  H16   C16  C15   121.06  3.000
 OTM  C17   C16  C15   121.49  3.000
 OTM  H17   C17  C16   118.98  3.000
 OTM  H17   C17  C12   121.34  3.000
 OTM  C16   C17  C12   119.69  3.000
 OTM  N22   C18  N19   106.65  3.000
 OTM  N22   C18  C15   126.49  3.000
 OTM  N19   C18  C15   126.86  3.000
 OTM  H19   N19  N20   120.16  3.000
 OTM  H19   N19  C18   130.62  3.000
 OTM  N20   N19  C18   109.22  3.000
 OTM  N21   N20  N19   106.34  3.000
 OTM  N22   N21  N20   111.24  3.000
 OTM  N21   N22  C18   106.55  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
 OTM  CONST_01  C31  C30  C29  C28     0.00   0.0  0
 OTM  CONST_02  C31  C32  C33  C28     0.00   0.0  0
 OTM  CONST_05  C32  C33  C28  C29     0.00   0.0  0
 OTM  CONST_06  N34  C33  C28  C29   180.00   0.0  0
 OTM  CONST_07  C32  C31  C30  C29     0.00   0.0  0
 OTM  CONST_08  C33  C28  C29  C30     0.00   0.0  0
 OTM  CONST_09  C33  C32  C31  C30     0.00   0.0  0
 OTM  CONST_10  N34  C33  C32  C31   180.00   0.0  0
 OTM  CONST_13  N36  C35  N34  C33   180.00   0.0  0
 OTM  CONST_14  N37  N38  N34  C33   180.00   0.0  0
 OTM  CONST_15  N37  N36  C35  N34     0.00   0.0  0
 OTM  CONST_16  N36  N37  N38  N34     0.00   0.0  0
 OTM  CONST_17  N37  N38  N34  C35     0.00   0.0  0
 OTM  CONST_18  N38  N37  N36  C35     0.00   0.0  0
 OTM  CONST_19  N38  N34  C35  N36     0.00   0.0  0
 OTM  CONST_20  C1   C2   C3   C4      0.00   0.0  0
 OTM  CONST_21  C1   C6   C5   C4      0.00   0.0  0
 OTM  CONST_22  C6   C1   C2   C3      0.00   0.0  0
 OTM  CONST_23  C6   C5   C4   C3      0.00   0.0  0
 OTM  CONST_24  C2   C3   C4   C5      0.00   0.0  0
 OTM  CONST_25  C2   C1   C6   C5      0.00   0.0  0
 OTM  CONST_26  C15  C14  C13  C12     0.00   0.0  0
 OTM  CONST_27  C15  C16  C17  C12     0.00   0.0  0
 OTM  CONST_28  C16  C17  C12  C13     0.00   0.0  0
 OTM  CONST_29  C16  C15  C14  C13     0.00   0.0  0
 OTM  CONST_30  C18  C15  C14  C13   180.00   0.0  0
 OTM  CONST_31  C17  C12  C13  C14     0.00   0.0  0
 OTM  CONST_32  C17  C16  C15  C14     0.00   0.0  0
 OTM  CONST_33  N19  C18  C15  C14   180.00   0.0  0
 OTM  CONST_34  N22  C18  C15  C14     0.00   0.0  0
 OTM  CONST_35  N20  N19  C18  C15   180.00   0.0  0
 OTM  CONST_36  N21  N22  C18  C15   180.00   0.0  0
 OTM  CONST_37  N19  C18  C15  C16     0.00   0.0  0
 OTM  CONST_38  N22  C18  C15  C16   180.00   0.0  0
 OTM  CONST_39  C18  C15  C16  C17   180.00   0.0  0
 OTM  CONST_40  N21  N20  N19  C18     0.00   0.0  0
 OTM  CONST_41  N20  N21  N22  C18     0.00   0.0  0
 OTM  CONST_42  N21  N22  C18  N19     0.00   0.0  0
 OTM  CONST_43  N22  N21  N20  N19     0.00   0.0  0
 OTM  CONST_44  N22  C18  N19  N20     0.00   0.0  0
 OTM  CONST_45  C30  C29  C28  C27   180.00   0.0  0
 OTM  CONST_46  C32  C33  C28  C27   180.00   0.0  0
 OTM  CONST_47  N34  C33  C28  C27     0.00   0.0  0
 OTM  CONST_48  CL   C30  C29  C28   180.00   0.0  0
 OTM  CONST_49  CL   C30  C31  C32   180.00   0.0  0
 OTM  CONST_50  C2   C3   C4   C7    180.00   0.0  0
 OTM  CONST_51  C6   C5   C4   C7    180.00   0.0  0
 OTM  CONST_52  C14  C13  C12  N11   180.00   0.0  0
 OTM  CONST_53  C16  C17  C12  N11   180.00   0.0  0
 OTM  CONST_54  H32  C32  C33  C28   180.00   0.0  0
 OTM  CONST_55  H31  C31  C30  C29   180.00   0.0  0
 OTM  CONST_56  H29  C29  C30  C31   180.00   0.0  0
 OTM  CONST_57  H35  C35  N34  C33     0.00   0.0  0
 OTM  CONST_58  H2   C2   C3   C4    180.00   0.0  0
 OTM  CONST_59  H6   C6   C5   C4    180.00   0.0  0
 OTM  CONST_60  H1   C1   C2   C3    180.00   0.0  0
 OTM  CONST_61  H5   C5   C4   C3    180.00   0.0  0
 OTM  CONST_62  H3   C3   C4   C5    180.00   0.0  0
 OTM  CONST_63  H14  C14  C13  C12   180.00   0.0  0
 OTM  CONST_64  H16  C16  C17  C12   180.00   0.0  0
 OTM  CONST_65  H17  C17  C12  C13   180.00   0.0  0
 OTM  CONST_66  H13  C13  C14  C15   180.00   0.0  0
 OTM  CONST_67  H19  N19  C18  C15     0.00   0.0  0
 OTM  CONST_68  C13  C12  N11  C9    180.00   0.0  0
 OTM  CONST_69  C17  C12  N11  C9      0.00   0.0  0
 OTM  CONST_70  H11  N11  C12  C13     0.00   0.0  0
 OTM  CONST_71  C12  N11  C9   C8    180.00   0.0  0
 OTM  CONST_72  C12  N11  C9   O10     0.00   0.0  0
 OTM  CONST_73  C8   N23  C24  O25     0.00   0.0  0
 OTM  CONST_74  C8   N23  C24  C26   180.00   0.0  0
 OTM  CONST_75  H23  N23  C24  O25   180.00   0.0  0
 OTM  Var_01    C29  C28  C27  C26    18.44  30.0  2
 OTM  Var_02    C3   C4   C7   C8     92.35  30.0  2
 OTM  Var_03    C28  C27  C26  C24  -179.52   0.0  2
 OTM  Var_04    C27  C26  C24  O25     0.16  30.0  2

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
 OTM  chir_01  C8  C7  C9  N23  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
 OTM  plan-1  C33  0.020
 OTM  plan-1  N34  0.020
 OTM  plan-1  C35  0.020
 OTM  plan-1  N36  0.020
 OTM  plan-1  N37  0.020
 OTM  plan-1  N38  0.020
 OTM  plan-1  H35  0.020
 OTM  plan-2  C24  0.020
 OTM  plan-2  C26  0.020
 OTM  plan-2  C27  0.020
 OTM  plan-2  C28  0.020
 OTM  plan-2  H26  0.020
 OTM  plan-2  H27  0.020
 OTM  plan-3  C15  0.020
 OTM  plan-3  C18  0.020
 OTM  plan-3  N19  0.020
 OTM  plan-3  N20  0.020
 OTM  plan-3  N21  0.020
 OTM  plan-3  N22  0.020
 OTM  plan-3  H19  0.020
 OTM  plan-4  C27  0.020
 OTM  plan-4  C28  0.020
 OTM  plan-4  C29  0.020
 OTM  plan-4  C30  0.020
 OTM  plan-4  C31  0.020
 OTM  plan-4  C32  0.020
 OTM  plan-4  C33  0.020
 OTM  plan-4  N34  0.020
 OTM  plan-4  CL   0.020
 OTM  plan-4  H29  0.020
 OTM  plan-4  H31  0.020
 OTM  plan-4  H32  0.020
 OTM  plan-5  C7   0.020
 OTM  plan-5  C4   0.020
 OTM  plan-5  C3   0.020
 OTM  plan-5  C5   0.020
 OTM  plan-5  C2   0.020
 OTM  plan-5  C6   0.020
 OTM  plan-5  C1   0.020
 OTM  plan-5  H3   0.020
 OTM  plan-5  H5   0.020
 OTM  plan-5  H2   0.020
 OTM  plan-5  H6   0.020
 OTM  plan-5  H1   0.020
 OTM  plan-6  N11  0.020
 OTM  plan-6  C12  0.020
 OTM  plan-6  C13  0.020
 OTM  plan-6  C14  0.020
 OTM  plan-6  C15  0.020
 OTM  plan-6  C16  0.020
 OTM  plan-6  C17  0.020
 OTM  plan-6  C18  0.020
 OTM  plan-6  H13  0.020
 OTM  plan-6  H17  0.020
 OTM  plan-6  H14  0.020
 OTM  plan-6  H16  0.020
 OTM  plan-7  C24  0.020
 OTM  plan-7  O25  0.020
 OTM  plan-7  C26  0.020
 OTM  plan-7  N23  0.020
 OTM  plan-7  C8   0.020
 OTM  plan-7  H23  0.020
 OTM  plan-8  C8   0.020
 OTM  plan-8  C9   0.020
 OTM  plan-8  O10  0.020
 OTM  plan-8  N11  0.020
 OTM  plan-8  C12  0.020
 OTM  plan-8  H11  0.020

