# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon Apr 20 22:14:04 2020
#   Inital geometry file: a 153 line input string
#   Ligand name: 1-(3-carbamimidoylbenzyl)-N-(3,5-dimethylbenzyl)-4-methyl-1H-indole-2-carboxamide
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: Cc1cc(C)cc(CNC(=O)c2cc3c(C)cccc3n2Cc4cccc(c4)C(N)=N)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
 CMI  CMI  1-(3-carbamimidoylbenzyl)-N-(3,5-dimethylbenzyl)-4-methyl-1H-indole-2-carboxamide  ligand  60  32  .  2021-08-07  2021-08-07  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_CMI
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
 CMI  C1    C  CR16  0  -0.261  -3.5339   0.2108  -3.4415
 CMI  C2    C  CR16  0  -0.326  -2.3654  -0.4685  -3.1699
 CMI  C3    C  CR56  0   0.380  -2.0594  -0.6834  -1.8240
 CMI  C4    C  CR56  0   0.054  -2.8852  -0.2091  -0.7862
 CMI  C5    C  CR6   0   0.031  -4.0781   0.4750  -1.0806
 CMI  C6    C  CR16  0  -0.336  -4.3772   0.6724  -2.4149
 CMI  N7    N  NR5   0  -0.563  -0.9934  -1.3335  -1.2642
 CMI  C8    C  CR5   0   0.238  -1.1049  -1.2455   0.1053
 CMI  C9    C  CR15  0  -0.450  -2.2507  -0.5722   0.4348
 CMI  C10   C  CH3   0  -0.739  -4.9729   0.9530   0.0207
 CMI  C11   C  C     0   0.505  -0.1520  -1.8916   1.0381
 CMI  N12   N  NH1   0  -0.633   0.0873  -1.1887   2.1531
 CMI  C13   C  CH2   0  -0.322   0.9362  -1.6930   3.2192
 CMI  C14   C  CR6   0   0.085   0.9769  -0.6993   4.3465
 CMI  C17   C  CH2   0  -0.437   0.1584  -1.7635  -2.0318
 CMI  C18   C  CR6   0   0.154   1.0182  -0.6049  -2.4743
 CMI  C21   C  CR16  0  -0.286   1.5343   0.2949  -1.5430
 CMI  C22   C  CR16  0  -0.225   2.3221   1.3542  -1.9603
 CMI  C23   C  CR16  0  -0.308   2.6007   1.5339  -3.3094
 CMI  C24   C  CR6   0   0.070   2.0923   0.6448  -4.2512
 CMI  C25   C  CR16  0  -0.349   1.3086  -0.4236  -3.8176
 CMI  C26   C  CR16  0  -0.365   1.9904   0.2503   4.4070
 CMI  C27   C  CR6   0   0.134   2.0251   1.1977   5.4264
 CMI  C28   C  CR16  0  -0.361   1.0131   1.1796   6.3824
 CMI  C29   C  CR6   0   0.133  -0.0174   0.2437   6.3424
 CMI  C30   C  CR16  0  -0.359  -0.0209  -0.6954   5.3149
 CMI  C31   C  C     0   0.336   2.3636   0.7994  -5.7081
 CMI  N32   N  NH2   0  -0.823   2.6690   2.0670  -6.1130
 CMI  C33   C  CH3   0  -0.723   3.1431   2.1964   5.5106
 CMI  C37   C  CH3   0  -0.723  -1.1152   0.2645   7.3666
 CMI  O45   O  O     0  -0.488   0.3532  -2.9857   0.8165
 CMI  N53   N  N     0  -0.651   2.3357  -0.2422  -6.4471
 CMI  HC1   H  HCR6  0   0.253  -3.8128   0.3939  -4.4711
 CMI  HC2   H  HCR6  0   0.259  -1.7256  -0.8157  -3.9702
 CMI  HC6   H  HCR6  0   0.243  -5.2865   1.1973  -2.6826
 CMI  HC9   H  HCR5  0   0.262  -2.6182  -0.4018   1.4350
 CMI  H101  H  HCH3  0   0.243  -4.4343   1.5860   0.7285
 CMI  H102  H  HCH3  0   0.249  -5.8144   1.5245  -0.3689
 CMI  H103  H  HCH3  0   0.245  -5.3762   0.1138   0.5911
 CMI  H12   H  HNH1  0   0.413  -0.2718  -0.2505   2.2322
 CMI  H131  H  HCH2  0   0.258   1.9439  -1.8733   2.8374
 CMI  H132  H  HCH2  0   0.259   0.5491  -2.6522   3.5702
 CMI  H171  H  HCH2  0   0.303   0.7337  -2.4646  -1.4318
 CMI  H172  H  HCH2  0   0.284  -0.1973  -2.3200  -2.9003
 CMI  H21   H  HCR6  0   0.246   1.3218   0.1768  -0.4868
 CMI  H22   H  HCR6  0   0.263   2.7274   2.0445  -1.2324
 CMI  H23   H  HCR6  0   0.261   3.2294   2.3619  -3.6105
 CMI  H25   H  HCR6  0   0.254   0.9126  -1.1136  -4.5531
 CMI  H26   H  HCR6  0   0.244   2.7685   0.2493   3.6512
 CMI  H28   H  HCR6  0   0.241   1.0278   1.9136   7.1814
 CMI  H30   H  HCR6  0   0.244  -0.8111  -1.4374   5.2704
 CMI  H321  H  HNH2  0   0.392   2.7088   2.2373  -7.1054
 CMI  H322  H  HNH2  0   0.395   2.2968   2.8405  -5.5870
 CMI  H331  H  HCH3  0   0.249   3.9459   1.8301   6.1542
 CMI  H332  H  HCH3  0   0.243   3.5785   2.3930   4.5315
 CMI  H333  H  HCH3  0   0.244   2.8038   3.1443   5.9275
 CMI  H371  H  HCH3  0   0.249  -1.9472   0.8885   7.0329
 CMI  H372  H  HCH3  0   0.244  -1.5138  -0.7334   7.5467
 CMI  H373  H  HCH3  0   0.244  -0.7700   0.6683   8.3178
 CMI  H53   H  H     0   0.324   2.5023  -0.0064  -7.4218

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
 CMI  C1   C2    aromatic  1.379  0.020  1.379
 CMI  C1   C6    aromatic  1.407  0.020  1.407
 CMI  C1   HC1   single    0.930  0.020  1.080
 CMI  C2   C3    aromatic  1.397  0.020  1.397
 CMI  C2   HC2   single    0.930  0.020  1.080
 CMI  C3   C4    aromatic  1.409  0.020  1.409
 CMI  C3   N7    aromatic  1.368  0.020  1.368
 CMI  C4   C5    aromatic  1.406  0.020  1.406
 CMI  C4   C9    aromatic  1.423  0.020  1.423
 CMI  C5   C6    aromatic  1.382  0.020  1.382
 CMI  C5   C10   single    1.497  0.020  1.497
 CMI  C6   HC6   single    0.930  0.020  1.080
 CMI  N7   C8    aromatic  1.377  0.020  1.377
 CMI  N7   C17   single    1.449  0.020  1.449
 CMI  C8   C9    aromatic  1.369  0.020  1.369
 CMI  C8   C11   single    1.482  0.020  1.482
 CMI  C9   HC9   single    0.930  0.020  1.080
 CMI  C10  H101  single    0.970  0.020  1.090
 CMI  C10  H102  single    0.970  0.020  1.090
 CMI  C10  H103  single    0.970  0.020  1.090
 CMI  C11  N12   single    1.340  0.020  1.340
 CMI  C11  O45   double    1.225  0.020  1.225
 CMI  N12  C13   single    1.453  0.020  1.453
 CMI  N12  H12   single    0.860  0.020  1.020
 CMI  C13  C14   single    1.503  0.020  1.503
 CMI  C13  H131  single    0.970  0.020  1.090
 CMI  C13  H132  single    0.970  0.020  1.090
 CMI  C14  C26   aromatic  1.390  0.020  1.390
 CMI  C14  C30   aromatic  1.390  0.020  1.390
 CMI  C17  C18   single    1.509  0.020  1.509
 CMI  C17  H171  single    0.970  0.020  1.090
 CMI  C17  H172  single    0.970  0.020  1.090
 CMI  C18  C21   aromatic  1.394  0.020  1.394
 CMI  C18  C25   aromatic  1.386  0.020  1.386
 CMI  C21  C22   aromatic  1.385  0.020  1.385
 CMI  C21  H21   single    0.930  0.020  1.080
 CMI  C22  C23   aromatic  1.389  0.020  1.389
 CMI  C22  H22   single    0.930  0.020  1.080
 CMI  C23  C24   aromatic  1.391  0.020  1.391
 CMI  C23  H23   single    0.930  0.020  1.080
 CMI  C24  C25   aromatic  1.394  0.020  1.394
 CMI  C24  C31   single    1.490  0.020  1.490
 CMI  C25  H25   single    0.930  0.020  1.080
 CMI  C26  C27   aromatic  1.392  0.020  1.392
 CMI  C26  H26   single    0.930  0.020  1.080
 CMI  C27  C28   aromatic  1.392  0.020  1.392
 CMI  C27  C33   single    1.501  0.020  1.501
 CMI  C28  C29   aromatic  1.393  0.020  1.393
 CMI  C28  H28   single    0.930  0.020  1.080
 CMI  C29  C30   aromatic  1.392  0.020  1.392
 CMI  C29  C37   single    1.502  0.020  1.502
 CMI  C30  H30   single    0.930  0.020  1.080
 CMI  C31  N32   single    1.365  0.020  1.365
 CMI  C31  N53   double    1.278  0.020  1.278
 CMI  N32  H321  single    0.890  0.020  1.040
 CMI  N32  H322  single    0.890  0.020  1.040
 CMI  C33  H331  single    0.970  0.020  1.090
 CMI  C33  H332  single    0.970  0.020  1.090
 CMI  C33  H333  single    0.970  0.020  1.090
 CMI  C37  H371  single    0.970  0.020  1.090
 CMI  C37  H372  single    0.970  0.020  1.090
 CMI  C37  H373  single    0.970  0.020  1.090
 CMI  N53  H53   single    0.890  0.020  1.040

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
 CMI  HC1   C1   C6    118.96  3.000
 CMI  HC1   C1   C2    119.29  3.000
 CMI  C6    C1   C2    121.74  3.000
 CMI  HC2   C2   C3    122.27  3.000
 CMI  HC2   C2   C1    120.91  3.000
 CMI  C3    C2   C1    116.83  3.000
 CMI  N7    C3   C4    108.38  3.000
 CMI  N7    C3   C2    129.63  3.000
 CMI  C4    C3   C2    121.99  3.000
 CMI  C9    C4   C5    133.00  3.000
 CMI  C9    C4   C3    106.55  3.000
 CMI  C5    C4   C3    120.46  3.000
 CMI  C10   C5   C6    122.37  3.000
 CMI  C10   C5   C4    120.55  3.000
 CMI  C6    C5   C4    117.09  3.000
 CMI  HC6   C6   C5    119.31  3.000
 CMI  HC6   C6   C1    118.80  3.000
 CMI  C5    C6   C1    121.88  3.000
 CMI  C17   N7   C8    127.60  3.000
 CMI  C17   N7   C3    122.92  3.000
 CMI  C8    N7   C3    108.26  3.000
 CMI  C11   C8   C9    126.95  3.000
 CMI  C11   C8   N7    123.10  3.000
 CMI  C9    C8   N7    109.79  3.000
 CMI  HC9   C9   C8    125.85  3.000
 CMI  HC9   C9   C4    127.09  3.000
 CMI  C8    C9   C4    106.99  3.000
 CMI  H103  C10  H102  107.74  3.000
 CMI  H103  C10  H101  106.80  3.000
 CMI  H102  C10  H101  107.99  3.000
 CMI  H103  C10  C5    111.08  3.000
 CMI  H102  C10  C5    111.48  3.000
 CMI  H101  C10  C5    111.54  3.000
 CMI  O45   C11  N12   123.05  3.000
 CMI  O45   C11  C8    122.73  3.000
 CMI  N12   C11  C8    114.21  3.000
 CMI  H12   N12  C13   118.27  3.000
 CMI  H12   N12  C11   119.36  3.000
 CMI  C13   N12  C11   122.20  3.000
 CMI  H132  C13  H131  107.11  3.000
 CMI  H132  C13  C14   110.43  3.000
 CMI  H131  C13  C14   110.25  3.000
 CMI  H132  C13  N12   109.48  3.000
 CMI  H131  C13  N12   109.86  3.000
 CMI  C14   C13  N12   109.67  3.000
 CMI  C30   C14  C26   119.40  3.000
 CMI  C30   C14  C13   120.31  3.000
 CMI  C26   C14  C13   120.26  3.000
 CMI  H172  C17  H171  106.43  3.000
 CMI  H172  C17  C18   110.11  3.000
 CMI  H171  C17  C18   110.81  3.000
 CMI  H172  C17  N7    108.29  3.000
 CMI  H171  C17  N7    108.64  3.000
 CMI  C18   C17  N7    112.35  3.000
 CMI  C25   C18  C21   119.04  3.000
 CMI  C25   C18  C17   120.26  3.000
 CMI  C21   C18  C17   120.70  3.000
 CMI  H21   C21  C22   119.25  3.000
 CMI  H21   C21  C18   120.54  3.000
 CMI  C22   C21  C18   120.21  3.000
 CMI  H22   C22  C23   119.71  3.000
 CMI  H22   C22  C21   119.91  3.000
 CMI  C23   C22  C21   120.38  3.000
 CMI  H23   C23  C24   120.85  3.000
 CMI  H23   C23  C22   119.05  3.000
 CMI  C24   C23  C22   120.09  3.000
 CMI  C31   C24  C25   119.08  3.000
 CMI  C31   C24  C23   121.94  3.000
 CMI  C25   C24  C23   118.98  3.000
 CMI  H25   C25  C24   118.84  3.000
 CMI  H25   C25  C18   119.87  3.000
 CMI  C24   C25  C18   121.29  3.000
 CMI  H26   C26  C27   119.53  3.000
 CMI  H26   C26  C14   119.48  3.000
 CMI  C27   C26  C14   120.99  3.000
 CMI  C33   C27  C28   120.76  3.000
 CMI  C33   C27  C26   120.82  3.000
 CMI  C28   C27  C26   118.41  3.000
 CMI  H28   C28  C29   119.07  3.000
 CMI  H28   C28  C27   119.14  3.000
 CMI  C29   C28  C27   121.80  3.000
 CMI  C37   C29  C30   120.73  3.000
 CMI  C37   C29  C28   120.80  3.000
 CMI  C30   C29  C28   118.45  3.000
 CMI  H30   C30  C29   119.57  3.000
 CMI  H30   C30  C14   119.48  3.000
 CMI  C29   C30  C14   120.94  3.000
 CMI  N53   C31  N32   126.18  3.000
 CMI  N53   C31  C24   118.49  3.000
 CMI  N32   C31  C24   115.28  3.000
 CMI  H322  N32  H321  113.53  3.000
 CMI  H322  N32  C31   118.40  3.000
 CMI  H321  N32  C31   117.25  3.000
 CMI  H333  C33  H332  108.14  3.000
 CMI  H333  C33  H331  107.17  3.000
 CMI  H332  C33  H331  107.24  3.000
 CMI  H333  C33  C27   111.60  3.000
 CMI  H332  C33  C27   111.55  3.000
 CMI  H331  C33  C27   110.93  3.000
 CMI  H373  C37  H372  108.12  3.000
 CMI  H373  C37  H371  107.24  3.000
 CMI  H372  C37  H371  107.16  3.000
 CMI  H373  C37  C29   111.65  3.000
 CMI  H372  C37  C29   111.56  3.000
 CMI  H371  C37  C29   110.88  3.000
 CMI  H53   N53  C31   111.22  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
 CMI  CONST_01  C4    C3   C2   C1      0.00   0.0  0
 CMI  CONST_02  N7    C3   C2   C1    180.00   0.0  0
 CMI  CONST_03  C4    C5   C6   C1      0.00   0.0  0
 CMI  CONST_04  C5    C6   C1   C2      0.00   0.0  0
 CMI  CONST_05  C5    C4   C3   C2      0.00   0.0  0
 CMI  CONST_06  C9    C4   C3   C2    180.00   0.0  0
 CMI  CONST_07  C8    N7   C3   C2    180.00   0.0  0
 CMI  CONST_08  C6    C1   C2   C3      0.00   0.0  0
 CMI  CONST_09  C6    C5   C4   C3      0.00   0.0  0
 CMI  CONST_10  C8    C9   C4   C3      0.00   0.0  0
 CMI  CONST_11  C9    C8   N7   C3      0.00   0.0  0
 CMI  CONST_12  C8    N7   C3   C4      0.00   0.0  0
 CMI  CONST_13  N7    C8   C9   C4      0.00   0.0  0
 CMI  CONST_14  N7    C3   C4   C5    180.00   0.0  0
 CMI  CONST_15  C8    C9   C4   C5    180.00   0.0  0
 CMI  CONST_16  C9    C4   C5   C6    180.00   0.0  0
 CMI  CONST_17  C9    C4   C3   N7      0.00   0.0  0
 CMI  CONST_18  C28   C27  C26  C14     0.00   0.0  0
 CMI  CONST_19  C28   C29  C30  C14     0.00   0.0  0
 CMI  CONST_20  C23   C22  C21  C18     0.00   0.0  0
 CMI  CONST_21  C23   C24  C25  C18     0.00   0.0  0
 CMI  CONST_22  C24   C25  C18  C21     0.00   0.0  0
 CMI  CONST_23  C24   C23  C22  C21     0.00   0.0  0
 CMI  CONST_24  C25   C18  C21  C22     0.00   0.0  0
 CMI  CONST_25  C25   C24  C23  C22     0.00   0.0  0
 CMI  CONST_26  C29   C30  C14  C26     0.00   0.0  0
 CMI  CONST_27  C29   C28  C27  C26     0.00   0.0  0
 CMI  CONST_28  C30   C14  C26  C27     0.00   0.0  0
 CMI  CONST_29  C30   C29  C28  C27     0.00   0.0  0
 CMI  CONST_30  C10   C5   C6   C1    180.00   0.0  0
 CMI  CONST_31  C17   N7   C3   C2      0.00   0.0  0
 CMI  CONST_32  C10   C5   C4   C3    180.00   0.0  0
 CMI  CONST_33  C11   C8   N7   C3    180.00   0.0  0
 CMI  CONST_34  C17   N7   C3   C4    180.00   0.0  0
 CMI  CONST_35  C11   C8   C9   C4    180.00   0.0  0
 CMI  CONST_36  C10   C5   C4   C9      0.00   0.0  0
 CMI  CONST_37  C17   N7   C8   C9    180.00   0.0  0
 CMI  CONST_38  C27   C26  C14  C13   180.00   0.0  0
 CMI  CONST_39  C29   C30  C14  C13   180.00   0.0  0
 CMI  CONST_40  C33   C27  C26  C14   180.00   0.0  0
 CMI  CONST_41  C37   C29  C30  C14   180.00   0.0  0
 CMI  CONST_42  C22   C21  C18  C17   180.00   0.0  0
 CMI  CONST_43  C24   C25  C18  C17   180.00   0.0  0
 CMI  CONST_44  C31   C24  C25  C18   180.00   0.0  0
 CMI  CONST_45  C31   C24  C23  C22   180.00   0.0  0
 CMI  CONST_46  C37   C29  C28  C27   180.00   0.0  0
 CMI  CONST_47  C33   C27  C28  C29   180.00   0.0  0
 CMI  CONST_48  HC6   C6   C1   C2    180.00   0.0  0
 CMI  CONST_49  HC1   C1   C2   C3    180.00   0.0  0
 CMI  CONST_50  HC9   C9   C4   C3    180.00   0.0  0
 CMI  CONST_51  HC2   C2   C3   C4    180.00   0.0  0
 CMI  CONST_52  H22   C22  C21  C18   180.00   0.0  0
 CMI  CONST_53  H25   C25  C18  C21   180.00   0.0  0
 CMI  CONST_54  H23   C23  C22  C21   180.00   0.0  0
 CMI  CONST_55  H21   C21  C22  C23   180.00   0.0  0
 CMI  CONST_56  H30   C30  C14  C26   180.00   0.0  0
 CMI  CONST_57  H28   C28  C27  C26   180.00   0.0  0
 CMI  CONST_58  H26   C26  C27  C28   180.00   0.0  0
 CMI  CONST_59  C13   N12  C11  C8    180.00   0.0  0
 CMI  CONST_60  H12   N12  C11  C8      0.00   0.0  0
 CMI  CONST_61  H321  N32  C31  C24   180.00   0.0  0
 CMI  CONST_63  H53   N53  C31  C24   180.00   0.0  0
 CMI  CONST_64  O45   C11  N12  C13     0.00   0.0  0
 CMI  Var_01    C18   C17  N7   C3     71.41  30.0  2
 CMI  Var_02    C21   C18  C17  N7     55.95  30.0  2
 CMI  Var_03    N12   C11  C8   N7    144.63  30.0  2
 CMI  Var_04    C26   C14  C13  N12   -93.61  30.0  2
 CMI  Var_05    N32   C31  C24  C23   -24.15  30.0  2
 CMI  Var_06    H101  C10  C5   C4     55.07  30.0  2
 CMI  Var_07    H331  C33  C27  C26   -92.75  30.0  2
 CMI  Var_08    H371  C37  C29  C28    90.43  30.0  2
 CMI  Var_09    C14   C13  N12  C11  -178.32  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
 CMI  plan-1  C13   0.020
 CMI  plan-1  C14   0.020
 CMI  plan-1  C26   0.020
 CMI  plan-1  C27   0.020
 CMI  plan-1  C28   0.020
 CMI  plan-1  C29   0.020
 CMI  plan-1  C30   0.020
 CMI  plan-1  C33   0.020
 CMI  plan-1  C37   0.020
 CMI  plan-1  H26   0.020
 CMI  plan-1  H28   0.020
 CMI  plan-1  H30   0.020
 CMI  plan-2  C17   0.020
 CMI  plan-2  C18   0.020
 CMI  plan-2  C21   0.020
 CMI  plan-2  C22   0.020
 CMI  plan-2  C23   0.020
 CMI  plan-2  C24   0.020
 CMI  plan-2  C25   0.020
 CMI  plan-2  C31   0.020
 CMI  plan-2  H21   0.020
 CMI  plan-2  H22   0.020
 CMI  plan-2  H23   0.020
 CMI  plan-2  H25   0.020
 CMI  plan-3  C1    0.020
 CMI  plan-3  C2    0.020
 CMI  plan-3  C3    0.020
 CMI  plan-3  C4    0.020
 CMI  plan-3  C5    0.020
 CMI  plan-3  C6    0.020
 CMI  plan-3  N7    0.020
 CMI  plan-3  C8    0.020
 CMI  plan-3  C9    0.020
 CMI  plan-3  C10   0.020
 CMI  plan-3  C11   0.020
 CMI  plan-3  C17   0.020
 CMI  plan-3  HC1   0.020
 CMI  plan-3  HC2   0.020
 CMI  plan-3  HC6   0.020
 CMI  plan-3  HC9   0.020
 CMI  plan-4  C8    0.020
 CMI  plan-4  C11   0.020
 CMI  plan-4  N12   0.020
 CMI  plan-4  C13   0.020
 CMI  plan-4  O45   0.020
 CMI  plan-4  H12   0.020
 CMI  plan-5  C24   0.020
 CMI  plan-5  C31   0.020
 CMI  plan-5  N32   0.020
 CMI  plan-5  N53   0.020
 CMI  plan-5  H321  0.020
 CMI  plan-5  H322  0.020
 CMI  plan-5  H53   0.020

