# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Wed Apr 15 10:04:21 2020
#   Inital geometry file: a 175 line input string
#   Ligand name: N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis[3-(diethylamino)propanamide] (non-preferred name)
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCN(CC)CCC(=O)Nc1cccc2C(=O)c3c(NC(=O)CCN(CC)CC)cccc3C(=O)c12
#
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
 AN9  AN9  'N,N'-(9,10-dioxo-9,10-dihydroanthracene-1,5-diyl)bis[3-(diethylamino)propanamide] (non-preferred name)'  ligand  72  36  .  2021-08-06  2021-08-06  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_AN9
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
 AN9  O19   O  O     0  -0.456   0.5279   -4.1177  -1.4043
 AN9  C18   C  C     0   0.573   1.7069   -4.3339  -1.2011
 AN9  C20   C  CH2   0  -0.608   2.4312   -5.5063  -1.8213
 AN9  N17   N  NH1   0  -0.779   2.5150   -3.5481  -0.4278
 AN9  C14   C  CR6   0   0.402   2.2329   -2.3682   0.2354
 AN9  C13   C  CR16  0  -0.310   0.9927   -1.7270   0.1187
 AN9  C12   C  CR16  0  -0.220   0.7521   -0.5401   0.7785
 AN9  C3    C  CR66  0  -0.132   3.2270   -1.7801   1.0573
 AN9  C2    C  CR66  0  -0.049   2.9541   -0.5664   1.7088
 AN9  C37   C  CR16  0  -0.291   1.7244    0.0532   1.5683
 AN9  C1    C  CR6   0   0.395   3.9626    0.1157   2.5631
 AN9  O15   O  O     0  -0.421   3.7008    1.2279   2.9986
 AN9  C6    C  CR66  0  -0.132   5.2253   -0.5710   2.8674
 AN9  C11   C  CR66  0  -0.050   5.4861   -1.7994   2.2389
 AN9  C10   C  CR16  0  -0.291   6.6497   -2.5001   2.5049
 AN9  C4    C  CR6   0   0.395   4.5447   -2.3987   1.2561
 AN9  O16   O  O     0  -0.421   4.8944   -3.4016   0.6503
 AN9  C7    C  CR6   0   0.402   6.1771   -0.0360   3.7715
 AN9  N27   N  NH1   0  -0.779   5.9372    1.1928   4.3578
 AN9  C8    C  CR16  0  -0.310   7.3424   -0.7694   4.0314
 AN9  C9    C  CR16  0  -0.220   7.5641   -1.9787   3.4069
 AN9  C5    C  C     0   0.570   6.6533    1.8634   5.3101
 AN9  O1    O  O     0  -0.456   7.6430    1.4220   5.8614
 AN9  C15   C  CH2   0  -0.603   6.1167    3.2464   5.5987
 AN9  C16   C  CH2   0  -0.269   6.3294    3.6701   7.0475
 AN9  N1    N  NT    0  -0.416   5.8512    5.0226   7.2757
 AN9  C17   C  CH2   0  -0.287   6.5734    5.6829   8.3540
 AN9  C19   C  CH3   0  -0.664   7.9703    6.1256   7.9497
 AN9  C21   C  CH2   0  -0.288   4.4099    5.0614   7.4865
 AN9  C22   C  CH3   0  -0.664   3.7970    6.4050   7.1273
 AN9  C23   C  CH2   0  -0.268   1.5228   -6.7120  -2.0299
 AN9  N2    N  NT    0  -0.417   2.2367   -7.8130  -2.6545
 AN9  C24   C  CH2   0  -0.288   1.3469   -8.6643  -3.4312
 AN9  C25   C  CH3   0  -0.663   0.9373   -8.0400  -4.7558
 AN9  C26   C  CH2   0  -0.287   3.0080   -8.5706  -1.6779
 AN9  C27   C  CH3   0  -0.669   4.1293   -9.3863  -2.3007
 AN9  H201  H  HCH2  0   0.259   3.3065   -5.7748  -1.2256
 AN9  H202  H  HCH2  0   0.285   2.8155   -5.1783  -2.7927
 AN9  H17   H  HNH1  0   0.439   3.4723   -3.8616  -0.3036
 AN9  H13   H  HCR6  0   0.304   0.2194   -2.1583  -0.4928
 AN9  H12   H  HCR6  0   0.281  -0.2140   -0.0661   0.6696
 AN9  H37   H  HCR6  0   0.276   1.5189    0.9880   2.0684
 AN9  H10   H  HCR6  0   0.276   6.8459   -3.4454   2.0209
 AN9  H27   H  HNH1  0   0.438   5.0907    1.6418   4.0234
 AN9  H8    H  HCR6  0   0.304   8.0762   -0.3868   4.7194
 AN9  H9    H  HCR6  0   0.281   8.4733   -2.5226   3.6249
 AN9  H151  H  HCH2  0   0.257   5.0629    3.3172   5.3198
 AN9  H152  H  HCH2  0   0.283   6.6501    3.9441   4.9449
 AN9  H161  H  HCH2  0   0.241   7.3967    3.6286   7.2617
 AN9  H162  H  HCH2  0   0.212   5.8509    2.9475   7.7273
 AN9  H171  H  HCH2  0   0.229   6.0109    6.5704   8.6485
 AN9  H172  H  HCH2  0   0.196   6.6238    5.0473   9.2533
 AN9  H191  H  HCH3  0   0.223   8.6086    5.2882   7.6638
 AN9  H192  H  HCH3  0   0.221   7.9257    6.8162   7.1074
 AN9  H193  H  HCH3  0   0.226   8.4600    6.6344   8.7804
 AN9  H211  H  HCH2  0   0.228   3.9457    4.2983   6.8588
 AN9  H212  H  HCH2  0   0.199   4.1512    4.7916   8.5232
 AN9  H221  H  HCH3  0   0.222   4.1979    7.2205   7.7308
 AN9  H222  H  HCH3  0   0.222   3.9806    6.6414   6.0788
 AN9  H223  H  HCH3  0   0.225   2.7184    6.3850   7.2863
 AN9  H231  H  HCH2  0   0.242   0.6962   -6.4107  -2.6728
 AN9  H232  H  HCH2  0   0.211   1.0691   -7.0139  -1.0724
 AN9  H241  H  HCH2  0   0.231   1.8658   -9.5992  -3.6470
 AN9  H242  H  HCH2  0   0.195   0.4502   -8.9442  -2.8537
 AN9  H251  H  HCH3  0   0.222   0.3791   -7.1118  -4.6263
 AN9  H252  H  HCH3  0   0.221   1.8148   -7.8205  -5.3647
 AN9  H253  H  HCH3  0   0.226   0.2998   -8.7259  -5.3143
 AN9  H261  H  HCH2  0   0.229   3.4590   -7.8661  -0.9761
 AN9  H262  H  HCH2  0   0.196   2.3567   -9.2229  -1.0731
 AN9  H271  H  HCH3  0   0.225   3.7621  -10.1660  -2.9687
 AN9  H272  H  HCH3  0   0.222   4.8008   -8.7431  -2.8701
 AN9  H273  H  HCH3  0   0.228   4.7122   -9.8782  -1.5215

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
 AN9  O19  C18   double    1.216  0.020  1.216
 AN9  C18  C20   single    1.511  0.020  1.511
 AN9  C18  N17   single    1.367  0.020  1.367
 AN9  C20  C23   single    1.524  0.020  1.524
 AN9  C20  H201  single    0.970  0.020  1.090
 AN9  C20  H202  single    0.970  0.020  1.090
 AN9  N17  C14   single    1.383  0.020  1.383
 AN9  N17  H17   single    0.860  0.020  1.020
 AN9  C14  C13   aromatic  1.401  0.020  1.401
 AN9  C14  C3    aromatic  1.418  0.020  1.418
 AN9  C13  C12   aromatic  1.379  0.020  1.379
 AN9  C13  H13   single    0.930  0.020  1.080
 AN9  C12  C37   aromatic  1.386  0.020  1.386
 AN9  C12  H12   single    0.930  0.020  1.080
 AN9  C3   C2    aromatic  1.404  0.020  1.404
 AN9  C3   C4    single    1.469  0.020  1.469
 AN9  C2   C37   aromatic  1.384  0.020  1.384
 AN9  C2   C1    single    1.487  0.020  1.487
 AN9  C37  H37   single    0.930  0.020  1.080
 AN9  C1   O15   double    1.223  0.020  1.223
 AN9  C1   C6    single    1.469  0.020  1.469
 AN9  C6   C11   aromatic  1.404  0.020  1.404
 AN9  C6   C7    aromatic  1.418  0.020  1.418
 AN9  C11  C10   aromatic  1.384  0.020  1.384
 AN9  C11  C4    single    1.487  0.020  1.487
 AN9  C10  C9    aromatic  1.386  0.020  1.386
 AN9  C10  H10   single    0.930  0.020  1.080
 AN9  C4   O16   double    1.223  0.020  1.223
 AN9  C7   N27   single    1.383  0.020  1.383
 AN9  C7   C8    aromatic  1.401  0.020  1.401
 AN9  N27  C5    single    1.367  0.020  1.367
 AN9  N27  H27   single    0.860  0.020  1.020
 AN9  C8   C9    aromatic  1.379  0.020  1.379
 AN9  C8   H8    single    0.930  0.020  1.080
 AN9  C9   H9    single    0.930  0.020  1.080
 AN9  C5   O1    double    1.216  0.020  1.216
 AN9  C5   C15   single    1.511  0.020  1.511
 AN9  C15  C16   single    1.524  0.020  1.524
 AN9  C15  H151  single    0.970  0.020  1.090
 AN9  C15  H152  single    0.970  0.020  1.090
 AN9  C16  N1    single    1.452  0.020  1.452
 AN9  C16  H161  single    0.970  0.020  1.090
 AN9  C16  H162  single    0.970  0.020  1.090
 AN9  N1   C17   single    1.456  0.020  1.456
 AN9  N1   C21   single    1.457  0.020  1.457
 AN9  C17  C19   single    1.520  0.020  1.520
 AN9  C17  H171  single    0.970  0.020  1.090
 AN9  C17  H172  single    0.970  0.020  1.090
 AN9  C19  H191  single    0.970  0.020  1.090
 AN9  C19  H192  single    0.970  0.020  1.090
 AN9  C19  H193  single    0.970  0.020  1.090
 AN9  C21  C22   single    1.520  0.020  1.520
 AN9  C21  H211  single    0.970  0.020  1.090
 AN9  C21  H212  single    0.970  0.020  1.090
 AN9  C22  H221  single    0.970  0.020  1.090
 AN9  C22  H222  single    0.970  0.020  1.090
 AN9  C22  H223  single    0.970  0.020  1.090
 AN9  C23  N2    single    1.453  0.020  1.453
 AN9  C23  H231  single    0.970  0.020  1.090
 AN9  C23  H232  single    0.970  0.020  1.090
 AN9  N2   C24   single    1.456  0.020  1.456
 AN9  N2   C26   single    1.457  0.020  1.457
 AN9  C24  C25   single    1.521  0.020  1.521
 AN9  C24  H241  single    0.970  0.020  1.090
 AN9  C24  H242  single    0.970  0.020  1.090
 AN9  C25  H251  single    0.970  0.020  1.090
 AN9  C25  H252  single    0.970  0.020  1.090
 AN9  C25  H253  single    0.970  0.020  1.090
 AN9  C26  C27   single    1.520  0.020  1.520
 AN9  C26  H261  single    0.970  0.020  1.090
 AN9  C26  H262  single    0.970  0.020  1.090
 AN9  C27  H271  single    0.970  0.020  1.090
 AN9  C27  H272  single    0.970  0.020  1.090
 AN9  C27  H273  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
 AN9  N17   C18  C20   113.25  3.000
 AN9  N17   C18  O19   124.45  3.000
 AN9  C20   C18  O19   122.29  3.000
 AN9  H202  C20  H201  106.04  3.000
 AN9  H202  C20  C23   108.94  3.000
 AN9  H201  C20  C23   110.97  3.000
 AN9  H202  C20  C18   107.45  3.000
 AN9  H201  C20  C18   110.55  3.000
 AN9  C23   C20  C18   112.60  3.000
 AN9  H17   N17  C14   113.41  3.000
 AN9  H17   N17  C18   116.70  3.000
 AN9  C14   N17  C18   129.89  3.000
 AN9  C3    C14  C13   118.63  3.000
 AN9  C3    C14  N17   119.28  3.000
 AN9  C13   C14  N17   122.09  3.000
 AN9  H13   C13  C12   119.44  3.000
 AN9  H13   C13  C14   120.00  3.000
 AN9  C12   C13  C14   120.56  3.000
 AN9  H12   C12  C37   119.75  3.000
 AN9  H12   C12  C13   119.00  3.000
 AN9  C37   C12  C13   121.24  3.000
 AN9  C4    C3   C2    118.39  3.000
 AN9  C4    C3   C14   122.19  3.000
 AN9  C2    C3   C14   119.42  3.000
 AN9  C1    C2   C37   117.09  3.000
 AN9  C1    C2   C3    122.08  3.000
 AN9  C37   C2   C3    120.83  3.000
 AN9  H37   C37  C2    120.64  3.000
 AN9  H37   C37  C12   120.06  3.000
 AN9  C2    C37  C12   119.30  3.000
 AN9  C6    C1   O15   122.37  3.000
 AN9  C6    C1   C2    119.17  3.000
 AN9  O15   C1   C2    118.46  3.000
 AN9  C7    C6   C11   119.40  3.000
 AN9  C7    C6   C1    122.19  3.000
 AN9  C11   C6   C1    118.41  3.000
 AN9  C4    C11  C10   117.08  3.000
 AN9  C4    C11  C6    122.05  3.000
 AN9  C10   C11  C6    120.86  3.000
 AN9  H10   C10  C9    120.07  3.000
 AN9  H10   C10  C11   120.64  3.000
 AN9  C9    C10  C11   119.29  3.000
 AN9  O16   C4   C11   118.48  3.000
 AN9  O16   C4   C3    122.33  3.000
 AN9  C11   C4   C3    119.18  3.000
 AN9  C8    C7   N27   122.06  3.000
 AN9  C8    C7   C6    118.63  3.000
 AN9  N27   C7   C6    119.30  3.000
 AN9  H27   N27  C5    116.70  3.000
 AN9  H27   N27  C7    113.47  3.000
 AN9  C5    N27  C7    129.82  3.000
 AN9  H8    C8   C9    119.45  3.000
 AN9  H8    C8   C7    119.97  3.000
 AN9  C9    C8   C7    120.57  3.000
 AN9  H9    C9   C8    119.00  3.000
 AN9  H9    C9   C10   119.77  3.000
 AN9  C8    C9   C10   121.24  3.000
 AN9  C15   C5   O1    122.32  3.000
 AN9  C15   C5   N27   113.32  3.000
 AN9  O1    C5   N27   124.34  3.000
 AN9  H152  C15  H151  106.03  3.000
 AN9  H152  C15  C16   108.81  3.000
 AN9  H151  C15  C16   111.05  3.000
 AN9  H152  C15  C5    107.23  3.000
 AN9  H151  C15  C5    110.68  3.000
 AN9  C16   C15  C5    112.73  3.000
 AN9  H162  C16  H161  106.21  3.000
 AN9  H162  C16  N1    111.77  3.000
 AN9  H161  C16  N1    109.09  3.000
 AN9  H162  C16  C15   110.10  3.000
 AN9  H161  C16  C15   108.24  3.000
 AN9  N1    C16  C15   111.24  3.000
 AN9  C21   N1   C17   111.80  3.000
 AN9  C21   N1   C16   111.91  3.000
 AN9  C17   N1   C16   112.05  3.000
 AN9  H172  C17  H171  105.80  3.000
 AN9  H172  C17  C19   110.05  3.000
 AN9  H171  C17  C19   107.98  3.000
 AN9  H172  C17  N1    111.42  3.000
 AN9  H171  C17  N1    108.25  3.000
 AN9  C19   C17  N1    113.01  3.000
 AN9  H193  C19  H192  108.15  3.000
 AN9  H193  C19  H191  107.15  3.000
 AN9  H192  C19  H191  107.92  3.000
 AN9  H193  C19  C17   110.24  3.000
 AN9  H192  C19  C17   110.64  3.000
 AN9  H191  C19  C17   112.57  3.000
 AN9  H212  C21  H211  105.66  3.000
 AN9  H212  C21  C22   110.12  3.000
 AN9  H211  C21  C22   108.09  3.000
 AN9  H212  C21  N1    111.21  3.000
 AN9  H211  C21  N1    108.59  3.000
 AN9  C22   C21  N1    112.85  3.000
 AN9  H223  C22  H222  108.10  3.000
 AN9  H223  C22  H221  107.25  3.000
 AN9  H222  C22  H221  107.95  3.000
 AN9  H223  C22  C21   110.38  3.000
 AN9  H222  C22  C21   110.54  3.000
 AN9  H221  C22  C21   112.46  3.000
 AN9  H232  C23  H231  106.03  3.000
 AN9  H232  C23  N2    111.61  3.000
 AN9  H231  C23  N2    109.19  3.000
 AN9  H232  C23  C20   110.07  3.000
 AN9  H231  C23  C20   108.31  3.000
 AN9  N2    C23  C20   111.43  3.000
 AN9  C26   N2   C24   112.15  3.000
 AN9  C26   N2   C23   111.46  3.000
 AN9  C24   N2   C23   111.84  3.000
 AN9  H242  C24  H241  105.84  3.000
 AN9  H242  C24  C25   109.97  3.000
 AN9  H241  C24  C25   107.93  3.000
 AN9  H242  C24  N2    111.47  3.000
 AN9  H241  C24  N2    108.41  3.000
 AN9  C25   C24  N2    112.91  3.000
 AN9  H253  C25  H252  108.13  3.000
 AN9  H253  C25  H251  107.27  3.000
 AN9  H252  C25  H251  107.87  3.000
 AN9  H253  C25  C24   110.20  3.000
 AN9  H252  C25  C24   110.63  3.000
 AN9  H251  C25  C24   112.57  3.000
 AN9  H262  C26  H261  105.85  3.000
 AN9  H262  C26  C27   110.06  3.000
 AN9  H261  C26  C27   107.75  3.000
 AN9  H262  C26  N2    111.27  3.000
 AN9  H261  C26  N2    108.30  3.000
 AN9  C27   C26  N2    113.26  3.000
 AN9  H273  C27  H272  108.06  3.000
 AN9  H273  C27  H271  107.17  3.000
 AN9  H272  C27  H271  108.02  3.000
 AN9  H273  C27  C26   110.10  3.000
 AN9  H272  C27  C26   110.59  3.000
 AN9  H271  C27  C26   112.73  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
 AN9  CONST_01  C37   C12  C13  C14     0.00   0.0  0
 AN9  CONST_02  C37   C2   C3   C14     0.00   0.0  0
 AN9  CONST_03  C2    C3   C14  C13     0.00   0.0  0
 AN9  CONST_04  C2    C37  C12  C13     0.00   0.0  0
 AN9  CONST_05  C3    C14  C13  C12     0.00   0.0  0
 AN9  CONST_06  C3    C2   C37  C12     0.00   0.0  0
 AN9  CONST_07  C9    C10  C11  C6      0.00   0.0  0
 AN9  CONST_08  C9    C8   C7   C6      0.00   0.0  0
 AN9  CONST_09  C8    C7   C6   C11     0.00   0.0  0
 AN9  CONST_10  C8    C9   C10  C11     0.00   0.0  0
 AN9  CONST_11  C7    C6   C11  C10     0.00   0.0  0
 AN9  CONST_12  C7    C8   C9   C10     0.00   0.0  0
 AN9  CONST_13  C12   C13  C14  N17   180.00   0.0  0
 AN9  CONST_14  C2    C3   C14  N17   180.00   0.0  0
 AN9  CONST_15  C4    C3   C14  N17     0.00   0.0  0
 AN9  CONST_16  N27   C7   C6   C1      0.00   0.0  0
 AN9  CONST_17  N27   C7   C6   C11   180.00   0.0  0
 AN9  CONST_18  C9    C8   C7   N27   180.00   0.0  0
 AN9  CONST_19  H12   C12  C13  C14   180.00   0.0  0
 AN9  CONST_20  H37   C37  C12  C13   180.00   0.0  0
 AN9  CONST_21  H13   C13  C14  C3    180.00   0.0  0
 AN9  CONST_22  H10   C10  C11  C6    180.00   0.0  0
 AN9  CONST_23  H8    C8   C7   C6    180.00   0.0  0
 AN9  CONST_24  H9    C9   C10  C11   180.00   0.0  0
 AN9  CONST_25  C13   C14  N17  C18     0.00   0.0  0
 AN9  CONST_26  C3    C14  N17  C18   180.00   0.0  0
 AN9  CONST_27  C5    N27  C7   C6    180.00   0.0  0
 AN9  CONST_28  C5    N27  C7   C8      0.00   0.0  0
 AN9  CONST_29  H17   N17  C14  C13   180.00   0.0  0
 AN9  CONST_30  H27   N27  C7   C6      0.00   0.0  0
 AN9  CONST_31  C14   N17  C18  O19     0.00   0.0  0
 AN9  CONST_32  C14   N17  C18  C20   180.00   0.0  0
 AN9  CONST_33  O1    C5   N27  C7      0.00   0.0  0
 AN9  CONST_34  C15   C5   N27  C7    180.00   0.0  0
 AN9  Var_01    C23   C20  C18  O19   -31.49  30.0  3
 AN9  Var_02    N2    C23  C20  C18   178.71  30.0  3
 AN9  Var_03    C24   N2   C23  C20  -152.16  30.0  3
 AN9  Var_04    C16   C15  C5   N27   148.02  30.0  3
 AN9  Var_05    N1    C16  C15  C5    177.69  30.0  3
 AN9  Var_06    C17   N1   C16  C15  -152.04  30.0  3
 AN9  Var_07    C19   C17  N1   C16    75.06  30.0  3
 AN9  Var_08    C22   C21  N1   C16  -154.84  30.0  3
 AN9  Var_09    C25   C24  N2   C23    75.52  30.0  3
 AN9  Var_10    C27   C26  N2   C23  -159.44  30.0  3
 AN9  Var_11    H191  C19  C17  N1    -61.78  30.0  3
 AN9  Var_12    H221  C22  C21  N1    -61.08  30.0  3
 AN9  Var_13    H251  C25  C24  N2    -62.14  30.0  3
 AN9  Var_14    H271  C27  C26  N2    -64.14  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
 AN9  plan-1  N17  0.020
 AN9  plan-1  C14  0.020
 AN9  plan-1  C13  0.020
 AN9  plan-1  C12  0.020
 AN9  plan-1  C3   0.020
 AN9  plan-1  C2   0.020
 AN9  plan-1  C37  0.020
 AN9  plan-1  C1   0.020
 AN9  plan-1  O15  0.020
 AN9  plan-1  C6   0.020
 AN9  plan-1  C11  0.020
 AN9  plan-1  C10  0.020
 AN9  plan-1  C4   0.020
 AN9  plan-1  O16  0.020
 AN9  plan-1  C7   0.020
 AN9  plan-1  N27  0.020
 AN9  plan-1  C8   0.020
 AN9  plan-1  C9   0.020
 AN9  plan-1  H13  0.020
 AN9  plan-1  H12  0.020
 AN9  plan-1  H37  0.020
 AN9  plan-1  H10  0.020
 AN9  plan-1  H8   0.020
 AN9  plan-1  H9   0.020
 AN9  plan-2  O19  0.020
 AN9  plan-2  C18  0.020
 AN9  plan-2  C20  0.020
 AN9  plan-2  N17  0.020
 AN9  plan-2  C14  0.020
 AN9  plan-2  H17  0.020
 AN9  plan-3  C7   0.020
 AN9  plan-3  N27  0.020
 AN9  plan-3  C5   0.020
 AN9  plan-3  O1   0.020
 AN9  plan-3  C15  0.020
 AN9  plan-3  H27  0.020

