# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Fri Apr 24 08:07:30 2020
#   Inital geometry file: a 164 line input string
#   Ligand name: (2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(dimethylamino)-2-oxoethyl]amino}acetyl]azetidine-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CN(C)C(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCc3ccc(cc3)C(N)=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
 MM9  MM9  (2S)-N-(4-carbamimidoylbenzyl)-1-[(2R)-2-cyclohexyl-2-{[2-(dimethylamino)-2-oxoethyl]amino}acetyl]azetidine-2-carboxamide  ligand  69  33  .  2021-08-14  2021-08-14  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_MM9
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
 MM9  C1    C  CH1   0  -0.256  -3.7811   1.9371   0.2275
 MM9  C2    C  CH2   0  -0.427  -3.1821   3.1275   0.9781
 MM9  C3    C  CH2   0  -0.426  -4.0889   4.3505   0.8768
 MM9  C4    C  CH2   0  -0.429  -4.3660   4.7155  -0.5779
 MM9  C5    C  CH2   0  -0.429  -4.9373   3.5256  -1.3422
 MM9  C6    C  CH2   0  -0.429  -4.0257   2.3050  -1.2356
 MM9  N7    N  NH1   0  -0.601  -3.4652  -0.5489  -0.2249
 MM9  C8    C  CH1   0  -0.170  -2.9639   0.6405   0.4375
 MM9  C9    C  C     0   0.523  -1.5185   0.8134   0.0003
 MM9  O0    O  O     0  -0.495  -1.1820   0.7877  -1.1782
 MM9  N11   N  N     0  -0.453  -0.6192   1.0176   0.9654
 MM9  C12   C  C     0  -0.185   0.8128   1.1341   0.8156
 MM9  C13   C  C     0   0.577   1.4351  -0.0742   0.1373
 MM9  O14   O  O     0  -0.486   1.0138  -1.2001   0.3462
 MM9  N15   N  NH1   0  -0.636   2.4897   0.2104  -0.6414
 MM9  C16   C  CH2   0  -0.347   3.2912  -0.7756  -1.3246
 MM9  C17   C  CR6   0   0.097   4.7339  -0.7575  -0.8875
 MM9  C18   C  CR16  0  -0.278   5.0798  -0.6652   0.4594
 MM9  C19   C  CR16  0  -0.258   6.4064  -0.6778   0.8517
 MM9  C20   C  CR6   0   0.034   7.4276  -0.7940  -0.0907
 MM9  C21   C  CR16  0  -0.276   7.0831  -0.8841  -1.4365
 MM9  C22   C  CR16  0  -0.295   5.7514  -0.8604  -1.8273
 MM9  C23   C  C     0   0.332   8.8468  -0.7924   0.3594
 MM9  N24   N  N     0  -0.651   9.1361  -0.2237   1.4665
 MM9  N25   N  NH2   0  -0.822   9.7340  -1.3686  -0.5046
 MM9  C26   C  C     0  -0.526   0.9239   1.1109   2.3634
 MM9  C27   C  C     0  -0.253  -0.6053   0.9273   2.4204
 MM9  C28   C  CH2   0  -0.409  -4.8180  -0.8908   0.1289
 MM9  C10   C  CH3   0  -0.517  -6.8225  -4.0028  -0.6807
 MM9  C29   C  C     0   0.545  -5.2292  -2.2067  -0.5150
 MM9  O30   O  O     0  -0.500  -4.5173  -2.7523  -1.3467
 MM9  C30   C  CH3   0  -0.532  -7.2066  -2.1773   0.9471
 MM9  N2    N  NT    0  -0.452  -6.4254  -2.7130  -0.1504
 MM9  H22   H  H     0   0.280   1.1319   2.0714   0.3529
 MM9  H1    H  HCH1  0   0.230  -4.7610   1.7460   0.6853
 MM9  H21C  H  HCH2  0   0.228  -3.0252   2.8694   2.0296
 MM9  H22C  H  HCH2  0   0.216  -2.1986   3.3770   0.5642
 MM9  H61C  H  HCH2  0   0.220  -3.0741   2.5248  -1.7277
 MM9  H62C  H  HCH2  0   0.221  -4.4711   1.4662  -1.7789
 MM9  H8    H  HCH1  0   0.260  -2.9867   0.4369   1.5147
 MM9  H31C  H  HCH2  0   0.210  -5.0364   4.1359   1.3831
 MM9  H32C  H  HCH2  0   0.227  -3.6383   5.1953   1.4033
 MM9  H41C  H  HCH2  0   0.225  -5.0518   5.5649  -0.6308
 MM9  H42C  H  HCH2  0   0.209  -3.4342   5.0373  -1.0556
 MM9  H51C  H  HCH2  0   0.209  -5.9252   3.2763  -0.9393
 MM9  H52C  H  HCH2  0   0.227  -5.0887   3.7879  -2.3921
 MM9  H7    H  HNH1  0   0.348  -3.3662  -0.4638  -1.2281
 MM9  H281  H  HCH2  0   0.265  -4.8802  -0.9789   1.2182
 MM9  H282  H  HCH2  0   0.242  -5.5660  -0.1321  -0.1507
 MM9  H271  H  H     0   0.255  -1.1548   1.7244   2.9216
 MM9  H272  H  H     0   0.255  -0.9387  -0.0377   2.8045
 MM9  H261  H  H     0   0.269   1.4996   0.2845   2.7734
 MM9  H262  H  H     0   0.274   1.2822   2.0458   2.7857
 MM9  H15   H  HNH1  0   0.406   2.7496   1.1760  -0.7648
 MM9  H161  H  HCH2  0   0.274   2.8556  -1.7557  -1.1296
 MM9  H162  H  HCH2  0   0.269   3.2311  -0.6144  -2.4034
 MM9  H18   H  HCR6  0   0.251   4.3073  -0.5841   1.2144
 MM9  HA    H  HCR6  0   0.256   5.5084  -0.9146  -2.8818
 MM9  H19   H  HCR6  0   0.255   6.6583  -0.6047   1.9011
 MM9  H21   H  HCR6  0   0.259   7.8488  -0.9441  -2.1989
 MM9  H24   H  H     0   0.324  10.1265  -0.3130   1.6774
 MM9  H251  H  HNH2  0   0.395   9.4061  -2.1069  -1.1053
 MM9  H252  H  HNH2  0   0.391  10.6751  -1.5090  -0.1729
 MM9  H101  H  HCH3  0   0.237  -6.3250  -4.8299  -0.1684
 MM9  H102  H  HCH3  0   0.241  -7.8960  -4.1215  -0.5534
 MM9  H103  H  HCH3  0   0.249  -6.5976  -4.0732  -1.7420
 MM9  H301  H  HCH3  0   0.256  -8.2481  -2.4615   0.8136
 MM9  H302  H  HCH3  0   0.243  -6.8743  -2.5542   1.9175
 MM9  H303  H  HCH3  0   0.257  -7.1750  -1.0908   0.9699

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
 MM9  C1   C2    single    1.530  0.020  1.530
 MM9  C1   C6    single    1.528  0.020  1.528
 MM9  C1   C8    single    1.547  0.020  1.547
 MM9  C2   C3    single    1.526  0.020  1.526
 MM9  C3   C4    single    1.525  0.020  1.525
 MM9  C4   C5    single    1.525  0.020  1.525
 MM9  C5   C6    single    1.527  0.020  1.527
 MM9  N7   C8    single    1.451  0.020  1.451
 MM9  N7   C28   single    1.440  0.020  1.440
 MM9  C8   C9    single    1.520  0.020  1.520
 MM9  C9   O0    double    1.226  0.020  1.226
 MM9  C9   N11   single    1.335  0.020  1.335
 MM9  N11  C12   single    1.444  0.020  1.444
 MM9  N11  C27   single    1.458  0.020  1.458
 MM9  C12  C13   single    1.519  0.020  1.519
 MM9  C12  C26   single    1.552  0.020  1.552
 MM9  C13  O14   double    1.220  0.020  1.220
 MM9  C13  N15   single    1.341  0.020  1.341
 MM9  N15  C16   single    1.443  0.020  1.443
 MM9  C16  C17   single    1.508  0.020  1.508
 MM9  C17  C18   aromatic  1.394  0.020  1.394
 MM9  C17  C22   aromatic  1.389  0.020  1.389
 MM9  C18  C19   aromatic  1.384  0.020  1.384
 MM9  C19  C20   aromatic  1.394  0.020  1.394
 MM9  C20  C21   aromatic  1.392  0.020  1.392
 MM9  C20  C23   single    1.489  0.020  1.489
 MM9  C21  C22   aromatic  1.388  0.020  1.388
 MM9  C23  N24   double    1.278  0.020  1.278
 MM9  C23  N25   single    1.366  0.020  1.366
 MM9  C26  C27   single    1.541  0.020  1.541
 MM9  C28  C29   single    1.522  0.020  1.522
 MM9  C10  N2    single    1.450  0.020  1.450
 MM9  C29  O30   double    1.223  0.020  1.223
 MM9  C29  N2    single    1.349  0.020  1.349
 MM9  C30  N2    single    1.450  0.020  1.450
 MM9  C12  H22   single    0.970  0.020  1.090
 MM9  C1   H1    single    0.970  0.020  1.090
 MM9  C2   H21C  single    0.970  0.020  1.090
 MM9  C2   H22C  single    0.970  0.020  1.090
 MM9  C6   H61C  single    0.970  0.020  1.090
 MM9  C6   H62C  single    0.970  0.020  1.090
 MM9  C8   H8    single    0.970  0.020  1.090
 MM9  C3   H31C  single    0.970  0.020  1.090
 MM9  C3   H32C  single    0.970  0.020  1.090
 MM9  C4   H41C  single    0.970  0.020  1.090
 MM9  C4   H42C  single    0.970  0.020  1.090
 MM9  C5   H51C  single    0.970  0.020  1.090
 MM9  C5   H52C  single    0.970  0.020  1.090
 MM9  N7   H7    single    0.890  0.020  1.040
 MM9  C28  H281  single    0.970  0.020  1.090
 MM9  C28  H282  single    0.970  0.020  1.090
 MM9  C27  H271  single    0.970  0.020  1.090
 MM9  C27  H272  single    0.970  0.020  1.090
 MM9  C26  H261  single    0.970  0.020  1.090
 MM9  C26  H262  single    0.970  0.020  1.090
 MM9  N15  H15   single    0.860  0.020  1.020
 MM9  C16  H161  single    0.970  0.020  1.090
 MM9  C16  H162  single    0.970  0.020  1.090
 MM9  C18  H18   single    0.930  0.020  1.080
 MM9  C22  HA    single    0.930  0.020  1.080
 MM9  C19  H19   single    0.930  0.020  1.080
 MM9  C21  H21   single    0.930  0.020  1.080
 MM9  N24  H24   single    0.890  0.020  1.040
 MM9  N25  H251  single    0.890  0.020  1.040
 MM9  N25  H252  single    0.890  0.020  1.040
 MM9  C10  H101  single    0.970  0.020  1.090
 MM9  C10  H102  single    0.970  0.020  1.090
 MM9  C10  H103  single    0.970  0.020  1.090
 MM9  C30  H301  single    0.970  0.020  1.090
 MM9  C30  H302  single    0.970  0.020  1.090
 MM9  C30  H303  single    0.970  0.020  1.090

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
 MM9  H1    C1   C8    105.60  3.000
 MM9  H1    C1   C6    107.34  3.000
 MM9  C8    C1   C6    114.60  3.000
 MM9  H1    C1   C2    106.27  3.000
 MM9  C8    C1   C2    112.26  3.000
 MM9  C6    C1   C2    110.19  3.000
 MM9  H22C  C2   H21C  106.74  3.000
 MM9  H22C  C2   C3    109.01  3.000
 MM9  H21C  C2   C3    109.76  3.000
 MM9  H22C  C2   C1    110.08  3.000
 MM9  H21C  C2   C1    110.14  3.000
 MM9  C3    C2   C1    111.01  3.000
 MM9  H32C  C3   H31C  106.58  3.000
 MM9  H32C  C3   C4    110.45  3.000
 MM9  H31C  C3   C4    109.30  3.000
 MM9  H32C  C3   C2    110.04  3.000
 MM9  H31C  C3   C2    109.05  3.000
 MM9  C4    C3   C2    111.29  3.000
 MM9  H42C  C4   H41C  106.52  3.000
 MM9  H42C  C4   C5    109.22  3.000
 MM9  H41C  C4   C5    110.30  3.000
 MM9  H42C  C4   C3    109.38  3.000
 MM9  H41C  C4   C3    110.25  3.000
 MM9  C5    C4   C3    111.05  3.000
 MM9  H52C  C5   H51C  106.44  3.000
 MM9  H52C  C5   C6    109.98  3.000
 MM9  H51C  C5   C6    109.31  3.000
 MM9  H52C  C5   C4    110.24  3.000
 MM9  H51C  C5   C4    109.33  3.000
 MM9  C6    C5   C4    111.41  3.000
 MM9  H62C  C6   H61C  106.56  3.000
 MM9  H62C  C6   C5    109.58  3.000
 MM9  H61C  C6   C5    109.11  3.000
 MM9  H62C  C6   C1    110.85  3.000
 MM9  H61C  C6   C1    109.86  3.000
 MM9  C5    C6   C1    110.78  3.000
 MM9  H7    N7   C28   110.83  3.000
 MM9  H7    N7   C8    110.49  3.000
 MM9  C28   N7   C8    114.03  3.000
 MM9  H8    C8   C9    108.87  3.000
 MM9  H8    C8   N7    106.81  3.000
 MM9  C9    C8   N7    106.89  3.000
 MM9  H8    C8   C1    106.14  3.000
 MM9  C9    C8   C1    111.59  3.000
 MM9  N7    C8   C1    116.27  3.000
 MM9  N11   C9   O0    120.88  3.000
 MM9  N11   C9   C8    116.75  3.000
 MM9  O0    C9   C8    122.36  3.000
 MM9  C27   N11  C12    95.68  3.000
 MM9  C27   N11  C9    135.93  3.000
 MM9  C12   N11  C9    127.25  3.000
 MM9  H22   C12  C26   114.46  3.000
 MM9  H22   C12  C13   111.93  3.000
 MM9  C26   C12  C13   113.84  3.000
 MM9  H22   C12  N11   113.74  3.000
 MM9  C26   C12  N11    88.07  3.000
 MM9  C13   C12  N11   112.85  3.000
 MM9  N15   C13  O14   124.51  3.000
 MM9  N15   C13  C12   114.36  3.000
 MM9  O14   C13  C12   121.07  3.000
 MM9  H15   N15  C16   116.98  3.000
 MM9  H15   N15  C13   118.51  3.000
 MM9  C16   N15  C13   124.52  3.000
 MM9  H162  C16  H161  106.70  3.000
 MM9  H162  C16  C17   109.71  3.000
 MM9  H161  C16  C17   109.95  3.000
 MM9  H162  C16  N15   109.65  3.000
 MM9  H161  C16  N15   107.92  3.000
 MM9  C17   C16  N15   112.71  3.000
 MM9  C22   C17  C18   118.49  3.000
 MM9  C22   C17  C16   120.26  3.000
 MM9  C18   C17  C16   121.23  3.000
 MM9  H18   C18  C19   119.14  3.000
 MM9  H18   C18  C17   120.10  3.000
 MM9  C19   C18  C17   120.76  3.000
 MM9  H19   C19  C20   119.39  3.000
 MM9  H19   C19  C18   119.85  3.000
 MM9  C20   C19  C18   120.76  3.000
 MM9  C23   C20  C21   121.89  3.000
 MM9  C23   C20  C19   119.58  3.000
 MM9  C21   C20  C19   118.52  3.000
 MM9  H21   C21  C22   118.78  3.000
 MM9  H21   C21  C20   120.63  3.000
 MM9  C22   C21  C20   120.57  3.000
 MM9  HA    C22  C21   119.23  3.000
 MM9  HA    C22  C17   119.87  3.000
 MM9  C21   C22  C17   120.90  3.000
 MM9  N25   C23  N24   126.07  3.000
 MM9  N25   C23  C20   115.30  3.000
 MM9  N24   C23  C20   118.57  3.000
 MM9  H24   N24  C23   111.18  3.000
 MM9  H252  N25  H251  113.48  3.000
 MM9  H252  N25  C23   117.21  3.000
 MM9  H251  N25  C23   118.37  3.000
 MM9  H262  C26  H261  109.44  3.000
 MM9  H262  C26  C27   114.53  3.000
 MM9  H261  C26  C27   114.88  3.000
 MM9  H262  C26  C12   113.48  3.000
 MM9  H261  C26  C12   115.17  3.000
 MM9  C27   C26  C12    88.15  3.000
 MM9  H272  C27  H271  109.32  3.000
 MM9  H272  C27  C26   114.95  3.000
 MM9  H271  C27  C26   115.47  3.000
 MM9  H272  C27  N11   113.78  3.000
 MM9  H271  C27  N11   114.12  3.000
 MM9  C26   C27  N11    88.00  3.000
 MM9  H282  C28  H281  105.64  3.000
 MM9  H282  C28  C29   107.74  3.000
 MM9  H281  C28  C29   109.64  3.000
 MM9  H282  C28  N7    114.34  3.000
 MM9  H281  C28  N7    108.49  3.000
 MM9  C29   C28  N7    110.81  3.000
 MM9  H103  C10  H102  108.14  3.000
 MM9  H103  C10  H101  108.33  3.000
 MM9  H102  C10  H101  108.18  3.000
 MM9  H103  C10  N2    110.97  3.000
 MM9  H102  C10  N2    108.94  3.000
 MM9  H101  C10  N2    112.16  3.000
 MM9  N2    C29  O30   122.17  3.000
 MM9  N2    C29  C28   116.73  3.000
 MM9  O30   C29  C28   121.08  3.000
 MM9  H303  C30  H302  108.49  3.000
 MM9  H303  C30  H301  106.94  3.000
 MM9  H302  C30  H301  108.06  3.000
 MM9  H303  C30  N2    111.68  3.000
 MM9  H302  C30  N2    112.40  3.000
 MM9  H301  C30  N2    109.06  3.000
 MM9  C30   N2   C29   122.94  3.000
 MM9  C30   N2   C10   117.25  3.000
 MM9  C29   N2   C10   118.54  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
 MM9  CONST_01  C20   C19  C18  C17     0.00   0.0  0
 MM9  CONST_02  C20   C21  C22  C17     0.00   0.0  0
 MM9  CONST_03  C21   C22  C17  C18     0.00   0.0  0
 MM9  CONST_04  C21   C20  C19  C18     0.00   0.0  0
 MM9  CONST_05  C22   C17  C18  C19     0.00   0.0  0
 MM9  CONST_06  C22   C21  C20  C19     0.00   0.0  0
 MM9  CONST_07  C19   C18  C17  C16   180.00   0.0  0
 MM9  CONST_08  C21   C22  C17  C16   180.00   0.0  0
 MM9  CONST_09  C23   C20  C19  C18   180.00   0.0  0
 MM9  CONST_10  C23   C20  C21  C22   180.00   0.0  0
 MM9  CONST_11  H19   C19  C18  C17   180.00   0.0  0
 MM9  CONST_12  H21   C21  C22  C17   180.00   0.0  0
 MM9  CONST_13  HA    C22  C17  C18   180.00   0.0  0
 MM9  CONST_14  H18   C18  C19  C20   180.00   0.0  0
 MM9  CONST_15  C12   N11  C9   C8    180.00   0.0  0
 MM9  CONST_16  C27   N11  C9   C8      0.00   0.0  0
 MM9  CONST_17  C12   N11  C9   O0      0.00   0.0  0
 MM9  CONST_18  C27   N11  C9   O0    180.00   0.0  0
 MM9  CONST_19  C16   N15  C13  C12   180.00   0.0  0
 MM9  CONST_20  H15   N15  C13  C12     0.00   0.0  0
 MM9  CONST_21  H24   N24  C23  C20   180.00   0.0  0
 MM9  CONST_23  H252  N25  C23  C20   180.00   0.0  0
 MM9  CONST_24  C16   N15  C13  O14     0.00   0.0  0
 MM9  CONST_25  C10   N2   C29  C28   180.00   0.0  0
 MM9  CONST_26  C30   N2   C29  C28     0.00   0.0  0
 MM9  CONST_27  O30   C29  N2   C10     0.00   0.0  0
 MM9  CONST_28  C30   N2   C29  O30   180.00   0.0  0
 MM9  Var_01    C4    C3   C2   C1    -56.26  30.0  1
 MM9  Var_02    C4    C5   C6   C1     56.43  30.0  1
 MM9  Var_03    C5    C4   C3   C2     54.91  30.0  1
 MM9  Var_04    C6    C5   C4   C3    -55.08  30.0  1
 MM9  Var_05    C12   C26  C27  N11    -2.25  30.0  1
 MM9  Var_06    C18   C17  C16  N15    44.22  30.0  2
 MM9  Var_07    N24   C23  C20  C19   -24.87  30.0  2
 MM9  Var_08    C17   C16  N15  C13  -118.94  30.0  3
 MM9  Var_09    O30   C29  C28  N7     -8.60  30.0  3
 MM9  Var_10    C29   C28  N7   C8   -175.34  30.0  3
 MM9  Var_11    H301  C30  N2   C10   -34.92  30.0  3
 MM9  Var_12    H101  C10  N2   C29    77.71  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
 MM9  chir_01  C1   C2   C6   C8   negativ
 MM9  chir_02  C8   N7   C1   C9   positiv
 MM9  chir_03  C12  N11  C13  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
 MM9  plan-1  C8    0.020
 MM9  plan-1  C9    0.020
 MM9  plan-1  O0    0.020
 MM9  plan-1  N11   0.020
 MM9  plan-1  C12   0.020
 MM9  plan-1  C27   0.020
 MM9  plan-2  C16   0.020
 MM9  plan-2  C17   0.020
 MM9  plan-2  C18   0.020
 MM9  plan-2  C19   0.020
 MM9  plan-2  C20   0.020
 MM9  plan-2  C21   0.020
 MM9  plan-2  C22   0.020
 MM9  plan-2  C23   0.020
 MM9  plan-2  H18   0.020
 MM9  plan-2  HA    0.020
 MM9  plan-2  H19   0.020
 MM9  plan-2  H21   0.020
 MM9  plan-3  C28   0.020
 MM9  plan-3  C10   0.020
 MM9  plan-3  C29   0.020
 MM9  plan-3  O30   0.020
 MM9  plan-3  C30   0.020
 MM9  plan-3  N2    0.020
 MM9  plan-4  C12   0.020
 MM9  plan-4  C13   0.020
 MM9  plan-4  O14   0.020
 MM9  plan-4  N15   0.020
 MM9  plan-4  C16   0.020
 MM9  plan-4  H15   0.020
 MM9  plan-5  C20   0.020
 MM9  plan-5  C23   0.020
 MM9  plan-5  N24   0.020
 MM9  plan-5  N25   0.020
 MM9  plan-5  H24   0.020
 MM9  plan-5  H251  0.020
 MM9  plan-5  H252  0.020

