# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Sat Jul 30 10:27:11 2022
#   Inital geometry file: a 549 line input string
#   Ligand name: a 2 line input string
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: CCCCCCCC\C=C\CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@@H](CO[P](O)(=O)OC[C@H](COC(C)=O)OC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCC1=C2C(=CC(=[N+]2[B-](F)(F)n3c(C)cc(C)c13)C)C)OC(=O)CCCCCCC/C=C/CCCCCCCC
#
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
 C9V  C9V  "[(2R,5R,11R,14S,24E)-14-[(acetyloxy)methyl]-8-{[5-(3,5-dimethyl-1H-pyrrol-2-yl-kappaN)-5-(3,5-dimethyl-2H-pyrrol-2-ylidene-kappaN)pentanoyl]oxy}-5,11-dihydroxy-2-{[(9E)-octadec-9-enoyl]oxy}-5,11,16-trioxo-4,6,10,12,15-pentaoxa-5lambda~5~,11lambda~5~-diphosphatritriacont-24-en-1-yl (9E)-octadec-9-enoatato](difluoro)boron"  ligand  244  107  .  2022-09-16  2022-09-22
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as GRAND
;

data_comp_C9V
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
 C9V  CA2   C  CR5    0  -0.206   7.5238  44.4475  62.3127
 C9V  OA5   O  O2     0  -0.505  13.6809  38.9707  61.6756
 C9V  CA3   C  CH3    0  -0.739   8.4637  44.1489  63.4315
 C9V  CA4   C  CR56   0   0.539   7.2684  43.7499  61.0995
 C9V  OA7   O  O      0  -0.344  14.5900  40.4975  60.3214
 C9V  C18   C  CH3    0  -0.830  11.8698  42.3954  64.1932
 C9V  C19   C  C      0   0.569  13.3159  42.0072  64.1030
 C9V  C22   C  CH2    0  -0.199  14.8051  40.3390  63.3690
 C9V  C23   C  CH1    0  -0.005  14.7774  39.0242  62.5885
 C9V  C24   C  CH2    0  -0.214  14.6913  37.7795  63.4480
 C9V  C31   C  CH1    0  -0.065   9.9825  38.7827  65.6632
 C9V  C32   C  CH2    0  -0.240   9.0947  37.7465  66.3568
 C9V  C38   C  CH2    0  -0.234   6.6688  37.4612  69.5208
 C9V  C39   C  CH1    0  -0.018   5.4726  37.9789  70.3142
 C9V  C40   C  CH2    0  -0.201   5.0201  39.3655  69.9052
 C9V  C42   C  C      0   0.598   4.5873  40.4658  67.8571
 C9V  C44   C  CH2    0  -0.586   4.4457  40.2173  66.3811
 C9V  C45   C  CH2    0  -0.446   4.2956  41.4822  65.5506
 C9V  C46   C  CH2    0  -0.466   4.4281  41.1931  64.0613
 C9V  C47   C  CH2    0  -0.480   4.4250  42.4463  63.1913
 C9V  C51   C  C1     0  -0.261   1.0689  43.8385  60.7499
 C9V  C52   C  C1     0  -0.251   0.7367  45.1168  60.5931
 C9V  C53   C  CH2    0  -0.485   0.9589  45.9073  59.3416
 C9V  C54   C  CH2    0  -0.444  -0.3320  46.0799  58.5318
 C9V  C55   C  CH2    0  -0.474  -0.8644  44.7610  57.9923
 C9V  C56   C  CH2    0  -0.459  -2.1612  44.8980  57.2045
 C9V  C57   C  CH2    0  -0.431  -2.6976  43.5717  56.6692
 C9V  C58   C  CH2    0  -0.423  -3.1427  42.5968  57.7567
 C9V  C59   C  CH2    0  -0.420  -3.7956  41.3253  57.2199
 C9V  C60   C  CH3    0  -0.653  -2.8403  40.4105  56.4655
 C9V  C64   C  CH2    0  -0.577   2.3941  35.9287  70.5540
 C9V  C65   C  CH2    0  -0.445   1.0928  36.6522  70.1898
 C9V  C66   C  CH2    0  -0.435   1.2365  37.6089  69.0107
 C9V  C67   C  CH2    0  -0.441  -0.0880  38.2466  68.5919
 C9V  C71   C  C1     0  -0.178   0.3507  36.7288  64.3077
 C9V  C72   C  C1     0  -0.224   1.1166  37.4199  63.4690
 C9V  C73   C  CH2    0  -0.483   1.0920  37.3141  61.9776
 C9V  C74   C  CH2    0  -0.446   0.8351  38.6604  61.3039
 C9V  C75   C  CH2    0  -0.394   0.9546  38.6086  59.7876
 C9V  C76   C  CH2    0  -0.370   0.8210  39.9797  59.1367
 C9V  C77   C  CH2    0  -0.389   1.0788  39.9653  57.6375
 C9V  C78   C  CH2    0  -0.415   0.9776  41.3459  57.0039
 C9V  C79   C  CH2    0  -0.433   1.2269  41.3406  55.5022
 C9V  C80   C  CH3    0  -0.698   1.1814  42.7318  54.8860
 C9V  C82   C  C      0   0.564   9.3769  39.0697  63.3023
 C9V  C84   C  CH2    0  -0.643   8.5780  40.3010  63.6433
 C9V  C85   C  CH2    0  -0.477   7.8175  40.9213  62.4772
 C9V  C86   C  CH2    0  -0.525   8.6668  41.7063  61.4629
 C9V  C87   C  CR6    0  -0.061   7.7590  42.5350  60.5979
 C9V  O20   O  O      0  -0.330  14.2373  42.7002  64.4530
 C9V  O25   O  O2     0  -0.606  13.5052  37.7509  64.2022
 C9V  O27   O  OP    -1  -0.870  14.3697  38.5131  66.4958
 C9V  O28   O  O      0  -0.851  13.9511  35.9820  66.0147
 C9V  C30   C  CH2    0  -0.150  11.4044  38.8380  66.1793
 C9V  O33   O  O2     0  -0.553   9.1703  37.8208  67.7607
 C9V  P34   P  P      0   1.343   8.5509  39.1043  68.5989
 C9V  O35   O  OP    -1  -0.805   9.6690  39.8141  69.2883
 C9V  O36   O  O      0  -0.743   7.5741  39.8218  67.7170
 C9V  O37   O  O2     0  -0.629   7.7815  38.2821  69.7925
 C9V  O41   O  O2     0  -0.523   4.6557  39.3212  68.5309
 C9V  O43   O  O      0  -0.485   4.6512  41.5479  68.3837
 C9V  C48   C  CH2    0  -0.469   3.0778  43.1484  63.0583
 C9V  C49   C  CH2    0  -0.430   2.0122  42.2476  62.4485
 C9V  C50   C  CH2    0  -0.466   0.7760  42.9915  61.9460
 C9V  O61   O  O2     0  -0.532   4.4310  37.0206  70.0937
 C9V  O63   O  O      0  -0.390   3.4134  37.5279  72.0213
 C9V  C68   C  CH2    0  -0.487  -1.0714  37.3096  67.8803
 C9V  C69   C  CH2    0  -0.441  -0.9706  37.3150  66.3571
 C9V  C70   C  CH2    0  -0.485   0.3774  36.8590  65.7975
 C9V  O81   O  O2     0  -0.477  10.0228  38.4274  64.2733
 C9V  O83   O  O      0  -0.408   9.4731  38.6248  62.1863
 C9V  C88   C  CR56   0   0.295   7.3094  42.0483  59.3651
 C9V  C89   C  CR5    0   0.023   7.6311  40.8708  58.6334
 C9V  C90   C  CH3    0  -0.790   8.6247  39.7981  58.9137
 C9V  C91   C  CR15   0  -0.313   6.8358  40.8906  57.5014
 C9V  C92   C  CR5    0   0.296   6.0567  42.0506  57.5269
 C9V  C93   C  CH3    0  -0.707   5.0601  42.4676  56.5057
 C9V  N94   N  N      0  -0.490   6.3482  42.7417  58.6348
 C9V  B95   B  B     -1   0.692   5.8001  44.1337  58.9924
 C9V  F96   F  F      0  -0.484   6.2813  45.0800  58.0804
 C9V  F97   F  F      0  -0.501   4.4055  44.1335  58.9646
 C9V  N98   N  N      1  -0.648   6.2988  44.4647  60.4064
 C9V  C99   C  CR5    0   0.305   5.9428  45.5359  61.1248
 C9V  CA0   C  CH3    0  -0.717   4.9010  46.5159  60.7204
 C9V  CA1   C  CR15   0  -0.277   6.6887  45.5525  62.3053
 C9V  CA8   C  CH2    0  -0.577  12.4508  39.5419  59.7650
 C9V  CA9   C  CH2    0  -0.440  12.1243  38.0806  59.4532
 C9V  CAA   C  CH2    0  -0.422  13.2816  37.3263  58.8115
 C9V  CAB   C  CH2    0  -0.445  12.8994  35.9345  58.3194
 C9V  CAC   C  CH2    0  -0.416  14.1338  35.0940  58.0143
 C9V  CAD   C  CH2    0  -0.427  13.8833  33.7560  57.3284
 C9V  CAE   C  CH2    0  -0.465  12.9261  32.8126  58.0724
 C9V  CAF   C  C1     0  -0.257  11.4905  32.9782  57.6815
 C9V  CAG   C  C1     0  -0.216  10.4574  33.1435  58.5022
 C9V  CAH   C  CH2    0  -0.476   9.0346  33.2607  58.0544
 C9V  CAI   C  CH2    0  -0.440   8.3575  34.5618  58.4872
 C9V  CAJ   C  CH2    0  -0.409   6.9429  34.6728  57.9279
 C9V  CAK   C  CH2    0  -0.418   6.1793  35.9197  58.3663
 C9V  CAL   C  CH2    0  -0.419   5.7767  35.9103  59.8387
 C9V  CAM   C  CH2    0  -0.405   4.8840  37.0802  60.2442
 C9V  CAN   C  CH2    0  -0.425   5.5723  38.4355  60.1711
 C9V  CAO   C  CH3    0  -0.676   4.6756  39.5847  60.5997
 C9V  H1    H  HCH3   0   0.267   8.3905  44.9292  64.1874
 C9V  H2    H  HCH3   0   0.253   8.2391  43.2004  63.9206
 C9V  H3    H  HCH3   0   0.232   9.5034  44.1097  63.1030
 C9V  H4    H  HCH3   0   0.283  11.7722  43.4775  64.2333
 C9V  H5    H  HCH3   0   0.298  11.2920  42.0072  63.3570
 C9V  H6    H  HCH3   0   0.287  11.4383  41.9867  65.1091
 C9V  H7    H  HCH2   0   0.258  15.3728  41.0885  62.8184
 C9V  H8    H  HCH2   0   0.217  15.3014  40.1796  64.3289
 C9V  H9    H  HCH1   0   0.307  15.7226  38.9583  62.0389
 C9V  H10   H  HCH2   0   0.296  14.7384  36.8990  62.7976
 C9V  H11   H  HCH2   0   0.233  15.5945  37.7585  64.0684
 C9V  H12   H  HCH1   0   0.274   9.5606  39.7799  65.8044
 C9V  H13   H  HCH2   0   0.278   8.0657  37.8653  66.0001
 C9V  H14   H  HCH2   0   0.240   9.4256  36.7455  66.0745
 C9V  H15   H  HCH2   0   0.274   6.8935  36.4414  69.8463
 C9V  H16   H  HCH2   0   0.274   6.4260  37.4154  68.4556
 C9V  H17   H  HCH1   0   0.240   5.7383  38.0153  71.3747
 C9V  H18   H  HCH2   0   0.252   5.8336  40.0726  70.0747
 C9V  H19   H  HCH2   0   0.252   4.1713  39.6920  70.5105
 C9V  H20   H  HCH2   0   0.287   3.6047  39.5365  66.2133
 C9V  H21   H  HCH2   0   0.320   5.3394  39.6677  66.0684
 C9V  H22   H  HCH2   0   0.216   5.0692  42.2019  65.8322
 C9V  H23   H  HCH2   0   0.279   3.3355  41.9577  65.7670
 C9V  H24   H  HCH2   0   0.236   3.6452  40.4989  63.7381
 C9V  H25   H  HCH2   0   0.261   5.3697  40.6587  63.8986
 C9V  H26   H  HCH2   0   0.244   4.7656  42.1814  62.1856
 C9V  H27   H  HCH2   0   0.212   5.1674  43.1512  63.5797
 C9V  H28   H  H      0   0.248   1.5881  43.3329  59.9364
 C9V  H29   H  H      0   0.236   0.2124  45.6274  61.3993
 C9V  H30   H  HCH2   0   0.236   1.7118  45.4160  58.7180
 C9V  H31   H  HCH2   0   0.223   1.3570  46.8943  59.5946
 C9V  H32   H  HCH2   0   0.250  -0.1421  46.7673  57.7019
 C9V  H33   H  HCH2   0   0.204  -1.0933  46.5600  59.1563
 C9V  H34   H  HCH2   0   0.267  -1.0112  44.0671  58.8232
 C9V  H35   H  HCH2   0   0.251  -0.1009  44.3047  57.3524
 C9V  H36   H  HCH2   0   0.247  -2.0006  45.5839  56.3667
 C9V  H37   H  HCH2   0   0.203  -2.9234  45.3681  57.8364
 C9V  H38   H  HCH2   0   0.243  -3.5500  43.7707  56.0109
 C9V  H39   H  HCH2   0   0.208  -1.9320  43.1067  56.0393
 C9V  H40   H  HCH2   0   0.201  -3.8503  43.1100  58.4165
 C9V  H41   H  HCH2   0   0.154  -2.2922  42.3143  58.3863
 C9V  H42   H  HCH2   0   0.219  -4.2275  40.7698  58.0567
 C9V  H43   H  HCH2   0   0.251  -4.6353  41.5956  56.5717
 C9V  H44   H  HCH3   0   0.146  -3.3463  39.5068  56.1239
 C9V  H45   H  HCH3   0   0.216  -2.4142  40.8962  55.5870
 C9V  H46   H  HCH3   0   0.257  -2.0093  40.1008  57.1038
 C9V  H47   H  HCH2   0   0.218   2.7421  35.3380  69.7064
 C9V  H48   H  HCH2   0   0.292   2.2087  35.2431  71.3834
 C9V  H49   H  HCH2   0   0.288   0.3462  35.8873  69.9651
 C9V  H50   H  HCH2   0   0.260   0.7212  37.1953  71.0630
 C9V  H51   H  HCH2   0   0.164   1.9332  38.4110  69.2707
 C9V  H52   H  HCH2   0   0.283   1.6895  37.0772  68.1699
 C9V  H53   H  HCH2   0   0.210   0.1169  39.1059  67.9457
 C9V  H54   H  HCH2   0   0.262  -0.5611  38.6594  69.4879
 C9V  H55   H  H      0   0.230  -0.3710  36.0225  63.8998
 C9V  H56   H  H      0   0.220   1.8261  38.1377  63.8807
 C9V  H57   H  HCH2   0   0.233   0.3436  36.5817  61.6613
 C9V  H58   H  HCH2   0   0.246   2.0609  36.9360  61.6303
 C9V  H59   H  HCH2   0   0.208   1.5527  39.3905  61.6910
 C9V  H60   H  HCH2   0   0.208  -0.1550  39.0328  61.5864
 C9V  H61   H  HCH2   0   0.218   0.2000  37.9299  59.3756
 C9V  H62   H  HCH2   0   0.224   1.9264  38.1783  59.5211
 C9V  H63   H  HCH2   0   0.136   1.5252  40.6728  59.6107
 C9V  H64   H  HCH2   0   0.208  -0.1784  40.3841  59.3351
 C9V  H65   H  HCH2   0   0.154   0.3707  39.2866  57.1489
 C9V  H66   H  HCH2   0   0.217   2.0760  39.5528  57.4468
 C9V  H67   H  HCH2   0   0.202   1.6941  42.0209  57.4883
 C9V  H68   H  HCH2   0   0.229  -0.0134  41.7654  57.2094
 C9V  H69   H  HCH2   0   0.207   0.4852  40.6989  55.0162
 C9V  H70   H  HCH2   0   0.245   2.2015  40.8852  55.2997
 C9V  H71   H  HCH3   0   0.224   1.3722  42.7022  53.8127
 C9V  H72   H  HCH3   0   0.231   0.2052  43.1974  55.0348
 C9V  H73   H  HCH3   0   0.236   1.9295  43.3873  55.3372
 C9V  H74   H  HCH2   0   0.311   9.2417  41.0452  64.0949
 C9V  H75   H  HCH2   0   0.300   7.8588  40.0463  64.4293
 C9V  H76   H  HCH2   0   0.233   7.0918  41.6106  62.9097
 C9V  H77   H  HCH2   0   0.276   7.2313  40.1610  61.9584
 C9V  H78   H  HCH2   0   0.295   9.2781  41.0359  60.8666
 C9V  H79   H  HCH2   0   0.312   9.3676  42.3503  61.9876
 C9V  H82   H  HCH2   0   0.211  11.9528  39.5711  65.5823
 C9V  H83   H  HCH2   0   0.280  11.3844  39.2179  67.2038
 C9V  H85   H  HCH2   0   0.265   3.2123  44.0306  62.4240
 C9V  H86   H  HCH2   0   0.228   2.7351  43.5234  64.0281
 C9V  H87   H  HCH2   0   0.200   1.7022  41.4877  63.1700
 C9V  H88   H  HCH2   0   0.245   2.4488  41.6984  61.6061
 C9V  H89   H  HCH2   0   0.236   0.3400  43.5970  62.7465
 C9V  H90   H  HCH2   0   0.233   0.0187  42.2473  61.6724
 C9V  H91   H  HCH2   0   0.201  -2.0928  37.5938  68.1454
 C9V  H92   H  HCH2   0   0.268  -0.9494  36.2844  68.2454
 C9V  H93   H  HCH2   0   0.230  -1.1853  38.3211  65.9824
 C9V  H94   H  HCH2   0   0.231  -1.7554  36.6672  65.9533
 C9V  H95   H  HCH2   0   0.186   0.6380  35.8941  66.2483
 C9V  H96   H  HCH2   0   0.244   1.1658  37.5596  66.0849
 C9V  H97   H  HCH3   0   0.289   9.6466  40.1785  58.8708
 C9V  H98   H  HCH3   0   0.224   8.4910  39.3420  59.8917
 C9V  H99   H  HCH3   0   0.285   8.5389  39.0109  58.1655
 C9V  H100  H  HCR5   0   0.284   6.8145  40.1434  56.7225
 C9V  H101  H  HCH3   0   0.235   4.0448  42.4415  56.9029
 C9V  H102  H  HCH3   0   0.273   5.2417  43.4791  56.1439
 C9V  H103  H  HCH3   0   0.249   5.1015  41.7912  55.6544
 C9V  H104  H  HCH3   0   0.278   4.9104  47.3620  61.4041
 C9V  H105  H  HCH3   0   0.220   5.0561  46.8937  59.7105
 C9V  H106  H  HCH3   0   0.283   3.9049  46.0707  60.7545
 C9V  H107  H  HCR5   0   0.266   6.6133  46.3029  63.0778
 C9V  H108  H  HCH2   0   0.294  12.5740  40.1067  58.8405
 C9V  H109  H  HCH2   0   0.184  11.6182  39.9973  60.3106
 C9V  H110  H  HCH2   0   0.268  11.2608  38.0715  58.7821
 C9V  H111  H  HCH2   0   0.208  11.8067  37.5627  60.3606
 C9V  H112  H  HCH2   0   0.226  14.0983  37.2291  59.5350
 C9V  H113  H  HCH2   0   0.250  13.6842  37.9072  57.9746
 C9V  H114  H  HCH2   0   0.206  12.2664  36.0191  57.4300
 C9V  H115  H  HCH2   0   0.262  12.2880  35.4327  59.0757
 C9V  H116  H  HCH2   0   0.150  14.6697  34.9146  58.9525
 C9V  H117  H  HCH2   0   0.233  14.8168  35.6780  57.3881
 C9V  H118  H  HCH2   0   0.224  14.8485  33.2585  57.2052
 C9V  H119  H  HCH2   0   0.160  13.5051  33.9253  56.3146
 C9V  H120  H  HCH2   0   0.274  13.0427  32.9234  59.1549
 C9V  H121  H  HCH2   0   0.218  13.2174  31.7822  57.8423
 C9V  H122  H  H      0   0.248  11.2952  32.9224  56.6110
 C9V  H123  H  H      0   0.247  10.6356  33.1990  59.5750
 C9V  H124  H  HCH2   0   0.253   8.9867  33.1686  56.9648
 C9V  H80   H  HCH2   0   0.227   8.4542  32.4224  58.4572
 C9V  H125  H  HCH2   0   0.197   8.3454  34.6149  59.5800
 C9V  H126  H  HCH2   0   0.222   8.9510  35.4167  58.1459
 C9V  H128  H  HCH2   0   0.228   7.0025  34.6566  56.8352
 C9V  H127  H  HCH2   0   0.218   6.3704  33.7820  58.2105
 C9V  H129  H  HCH2   0   0.164   6.7816  36.8059  58.1415
 C9V  H136  H  HCH2   0   0.210   5.2724  36.0078  57.7589
 C9V  H137  H  HCH2   0   0.162   5.2507  34.9731  60.0483
 C9V  H130  H  HCH2   0   0.264   6.6684  35.9023  60.4739
 C9V  H131  H  HCH2   0   0.198   3.9906  37.0919  59.6089
 C9V  H138  H  HCH2   0   0.222   4.5231  36.9211  61.2657
 C9V  H135  H  HCH2   0   0.211   6.4697  38.4115  60.7986
 C9V  H132  H  HCH2   0   0.206   5.9205  38.6246  59.1535
 C9V  H134  H  HCH3   0   0.213   5.2108  40.5355  60.5857
 C9V  H133  H  HCH3   0   0.231   3.8171  39.6828  59.9328
 C9V  H139  H  HCH3   0   0.246   4.2906  39.4365  61.6112
 C9V  C62   C  C      0   0.582   3.4502  36.9080  70.9878
 C9V  P26   P  P      0   1.335  13.5994  37.4205  65.8183
 C9V  CA6   C  C      0   0.530  13.6969  39.7321  60.5862
 C9V  O29   O  O2     0  -0.611  11.9998  37.5605  66.1307
 C9V  O21   O  O2     0  -0.530  13.4709  40.7989  63.5675

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
 C9V  CAH  CAG   single    1.496  0.020  1.496
 C9V  CAH  CAI   single    1.529  0.020  1.529
 C9V  C56  C57   single    1.528  0.020  1.528
 C9V  C56  C55   single    1.523  0.020  1.523
 C9V  C59  C58   single    1.527  0.020  1.527
 C9V  C59  C60   single    1.523  0.020  1.523
 C9V  CAJ  CAI   single    1.525  0.020  1.525
 C9V  CAJ  CAK   single    1.526  0.020  1.526
 C9V  CAG  CAF   double    1.330  0.020  1.330
 C9V  C57  C58   single    1.527  0.020  1.527
 C9V  C54  C55   single    1.521  0.020  1.521
 C9V  C54  C53   single    1.534  0.020  1.534
 C9V  CAF  CAE   single    1.497  0.020  1.497
 C9V  CAE  CAD   single    1.536  0.020  1.536
 C9V  CAK  CAL   single    1.526  0.020  1.526
 C9V  CAD  CAC   single    1.524  0.020  1.524
 C9V  C53  C52   single    1.497  0.020  1.497
 C9V  CAL  CAM   single    1.526  0.020  1.526
 C9V  CAM  CAN   single    1.522  0.020  1.522
 C9V  CAC  CAB   single    1.524  0.020  1.524
 C9V  C52  C51   double    1.330  0.020  1.330
 C9V  C80  C79   single    1.522  0.020  1.522
 C9V  CAB  CAA   single    1.525  0.020  1.525
 C9V  C51  C50   single    1.495  0.020  1.495
 C9V  CAN  CAO   single    1.519  0.020  1.519
 C9V  C79  C78   single    1.522  0.020  1.522
 C9V  C93  C92   single    1.487  0.020  1.487
 C9V  CAA  CA9   single    1.523  0.020  1.523
 C9V  C91  C92   aromatic  1.398  0.020  1.398
 C9V  C91  C89   aromatic  1.384  0.020  1.384
 C9V  C50  C49   single    1.528  0.020  1.528
 C9V  C78  C77   single    1.522  0.020  1.522
 C9V  C92  N94   aromatic  1.338  0.020  1.338
 C9V  CA9  CA8   single    1.529  0.020  1.529
 C9V  C90  C89   single    1.489  0.020  1.489
 C9V  C89  C88   aromatic  1.423  0.020  1.423
 C9V  C49  C48   single    1.523  0.020  1.523
 C9V  CA8  CA6   single    1.504  0.020  1.504
 C9V  N94  C88   aromatic  1.392  0.020  1.392
 C9V  N94  B95   single    1.538  0.020  1.538
 C9V  C77  C76   single    1.521  0.020  1.521
 C9V  C48  C47   single    1.525  0.020  1.525
 C9V  C18  C19   single    1.500  0.020  1.500
 C9V  F96  B95   single    1.400  0.020  1.400
 C9V  C47  C46   single    1.526  0.020  1.526
 C9V  C88  C87   single    1.400  0.020  1.400
 C9V  O20  C19   double    1.205  0.020  1.205
 C9V  F97  B95   single    1.395  0.020  1.395
 C9V  B95  N98   single    1.535  0.020  1.535
 C9V  C76  C75   single    1.524  0.020  1.524
 C9V  C19  O21   single    1.331  0.020  1.331
 C9V  CA6  OA7   double    1.206  0.020  1.206
 C9V  CA6  OA5   single    1.329  0.020  1.329
 C9V  C46  C45   single    1.523  0.020  1.523
 C9V  C87  C86   single    1.503  0.020  1.503
 C9V  C87  CA4   double    1.403  0.020  1.403
 C9V  O83  C82   double    1.205  0.020  1.205
 C9V  O21  C22   single    1.425  0.020  1.425
 C9V  N98  CA4   single    1.390  0.020  1.390
 C9V  N98  C99   double    1.338  0.020  1.338
 C9V  C85  C86   single    1.538  0.020  1.538
 C9V  C85  C84   single    1.524  0.020  1.524
 C9V  C75  C74   single    1.522  0.020  1.522
 C9V  OA5  C23   single    1.428  0.020  1.428
 C9V  C22  C23   single    1.529  0.020  1.529
 C9V  CA4  CA2   single    1.423  0.020  1.423
 C9V  C45  C44   single    1.521  0.020  1.521
 C9V  C23  C24   single    1.515  0.020  1.515
 C9V  C82  C84   single    1.507  0.020  1.507
 C9V  C82  O81   single    1.331  0.020  1.331
 C9V  CA0  C99   single    1.486  0.020  1.486
 C9V  C74  C73   single    1.527  0.020  1.527
 C9V  C99  CA1   single    1.397  0.020  1.397
 C9V  C44  C42   single    1.504  0.020  1.504
 C9V  O81  C31   single    1.435  0.020  1.435
 C9V  CA2  CA1   double    1.385  0.020  1.385
 C9V  CA2  CA3   single    1.491  0.020  1.491
 C9V  C73  C72   single    1.495  0.020  1.495
 C9V  C24  O25   single    1.406  0.020  1.406
 C9V  O25  P26   single    1.652  0.020  1.652
 C9V  O43  C42   double    1.205  0.020  1.205
 C9V  C42  O41   single    1.330  0.020  1.330
 C9V  C31  C30   single    1.514  0.020  1.514
 C9V  C31  C32   single    1.531  0.020  1.531
 C9V  C72  C71   double    1.330  0.020  1.330
 C9V  O29  C30   single    1.410  0.020  1.410
 C9V  O29  P26   single    1.636  0.020  1.636
 C9V  P26  O28   deloc     1.494  0.020  1.494
 C9V  P26  O27   deloc     1.499  0.020  1.499
 C9V  C32  O33   single    1.408  0.020  1.408
 C9V  O41  C40   single    1.422  0.020  1.422
 C9V  O36  P34   deloc     1.499  0.020  1.499
 C9V  C71  C70   single    1.496  0.020  1.496
 C9V  C40  C39   single    1.515  0.020  1.515
 C9V  O33  P34   single    1.653  0.020  1.653
 C9V  C70  C69   single    1.529  0.020  1.529
 C9V  O61  C39   single    1.432  0.020  1.432
 C9V  O61  C62   single    1.332  0.020  1.332
 C9V  P34  O35   deloc     1.493  0.020  1.493
 C9V  P34  O37   single    1.641  0.020  1.641
 C9V  C39  C38   single    1.526  0.020  1.526
 C9V  O63  C62   double    1.206  0.020  1.206
 C9V  C62  C64   single    1.504  0.020  1.504
 C9V  O37  C38   single    1.409  0.020  1.409
 C9V  C69  C68   single    1.527  0.020  1.527
 C9V  C64  C65   single    1.533  0.020  1.533
 C9V  C68  C67   single    1.533  0.020  1.533
 C9V  C66  C65   single    1.525  0.020  1.525
 C9V  C66  C67   single    1.529  0.020  1.529
 C9V  CA3  H1    single    0.970  0.020  1.090
 C9V  CA3  H2    single    0.970  0.020  1.090
 C9V  CA3  H3    single    0.970  0.020  1.090
 C9V  C18  H4    single    0.970  0.020  1.090
 C9V  C18  H5    single    0.970  0.020  1.090
 C9V  C18  H6    single    0.970  0.020  1.090
 C9V  C22  H7    single    0.970  0.020  1.090
 C9V  C22  H8    single    0.970  0.020  1.090
 C9V  C23  H9    single    0.970  0.020  1.090
 C9V  C24  H10   single    0.970  0.020  1.090
 C9V  C24  H11   single    0.970  0.020  1.090
 C9V  C31  H12   single    0.970  0.020  1.090
 C9V  C32  H13   single    0.970  0.020  1.090
 C9V  C32  H14   single    0.970  0.020  1.090
 C9V  C38  H15   single    0.970  0.020  1.090
 C9V  C38  H16   single    0.970  0.020  1.090
 C9V  C39  H17   single    0.970  0.020  1.090
 C9V  C40  H18   single    0.970  0.020  1.090
 C9V  C40  H19   single    0.970  0.020  1.090
 C9V  C44  H20   single    0.970  0.020  1.090
 C9V  C44  H21   single    0.970  0.020  1.090
 C9V  C45  H22   single    0.970  0.020  1.090
 C9V  C45  H23   single    0.970  0.020  1.090
 C9V  C46  H24   single    0.970  0.020  1.090
 C9V  C46  H25   single    0.970  0.020  1.090
 C9V  C47  H26   single    0.970  0.020  1.090
 C9V  C47  H27   single    0.970  0.020  1.090
 C9V  C51  H28   single    0.930  0.020  1.080
 C9V  C52  H29   single    0.930  0.020  1.080
 C9V  C53  H30   single    0.970  0.020  1.090
 C9V  C53  H31   single    0.970  0.020  1.090
 C9V  C54  H32   single    0.970  0.020  1.090
 C9V  C54  H33   single    0.970  0.020  1.090
 C9V  C55  H34   single    0.970  0.020  1.090
 C9V  C55  H35   single    0.970  0.020  1.090
 C9V  C56  H36   single    0.970  0.020  1.090
 C9V  C56  H37   single    0.970  0.020  1.090
 C9V  C57  H38   single    0.970  0.020  1.090
 C9V  C57  H39   single    0.970  0.020  1.090
 C9V  C58  H40   single    0.970  0.020  1.090
 C9V  C58  H41   single    0.970  0.020  1.090
 C9V  C59  H42   single    0.970  0.020  1.090
 C9V  C59  H43   single    0.970  0.020  1.090
 C9V  C60  H44   single    0.970  0.020  1.090
 C9V  C60  H45   single    0.970  0.020  1.090
 C9V  C60  H46   single    0.970  0.020  1.090
 C9V  C64  H47   single    0.970  0.020  1.090
 C9V  C64  H48   single    0.970  0.020  1.090
 C9V  C65  H49   single    0.970  0.020  1.090
 C9V  C65  H50   single    0.970  0.020  1.090
 C9V  C66  H51   single    0.970  0.020  1.090
 C9V  C66  H52   single    0.970  0.020  1.090
 C9V  C67  H53   single    0.970  0.020  1.090
 C9V  C67  H54   single    0.970  0.020  1.090
 C9V  C71  H55   single    0.930  0.020  1.080
 C9V  C72  H56   single    0.930  0.020  1.080
 C9V  C73  H57   single    0.970  0.020  1.090
 C9V  C73  H58   single    0.970  0.020  1.090
 C9V  C74  H59   single    0.970  0.020  1.090
 C9V  C74  H60   single    0.970  0.020  1.090
 C9V  C75  H61   single    0.970  0.020  1.090
 C9V  C75  H62   single    0.970  0.020  1.090
 C9V  C76  H63   single    0.970  0.020  1.090
 C9V  C76  H64   single    0.970  0.020  1.090
 C9V  C77  H65   single    0.970  0.020  1.090
 C9V  C77  H66   single    0.970  0.020  1.090
 C9V  C78  H67   single    0.970  0.020  1.090
 C9V  C78  H68   single    0.970  0.020  1.090
 C9V  C79  H69   single    0.970  0.020  1.090
 C9V  C79  H70   single    0.970  0.020  1.090
 C9V  C80  H71   single    0.970  0.020  1.090
 C9V  C80  H72   single    0.970  0.020  1.090
 C9V  C80  H73   single    0.970  0.020  1.090
 C9V  C84  H74   single    0.970  0.020  1.090
 C9V  C84  H75   single    0.970  0.020  1.090
 C9V  C85  H76   single    0.970  0.020  1.090
 C9V  C85  H77   single    0.970  0.020  1.090
 C9V  C86  H78   single    0.970  0.020  1.090
 C9V  C86  H79   single    0.970  0.020  1.090
 C9V  C30  H82   single    0.970  0.020  1.090
 C9V  C30  H83   single    0.970  0.020  1.090
 C9V  C48  H85   single    0.970  0.020  1.090
 C9V  C48  H86   single    0.970  0.020  1.090
 C9V  C49  H87   single    0.970  0.020  1.090
 C9V  C49  H88   single    0.970  0.020  1.090
 C9V  C50  H89   single    0.970  0.020  1.090
 C9V  C50  H90   single    0.970  0.020  1.090
 C9V  C68  H91   single    0.970  0.020  1.090
 C9V  C68  H92   single    0.970  0.020  1.090
 C9V  C69  H93   single    0.970  0.020  1.090
 C9V  C69  H94   single    0.970  0.020  1.090
 C9V  C70  H95   single    0.970  0.020  1.090
 C9V  C70  H96   single    0.970  0.020  1.090
 C9V  C90  H97   single    0.970  0.020  1.090
 C9V  C90  H98   single    0.970  0.020  1.090
 C9V  C90  H99   single    0.970  0.020  1.090
 C9V  C91  H100  single    0.930  0.020  1.080
 C9V  C93  H101  single    0.970  0.020  1.090
 C9V  C93  H102  single    0.970  0.020  1.090
 C9V  C93  H103  single    0.970  0.020  1.090
 C9V  CA0  H104  single    0.970  0.020  1.090
 C9V  CA0  H105  single    0.970  0.020  1.090
 C9V  CA0  H106  single    0.970  0.020  1.090
 C9V  CA1  H107  single    0.930  0.020  1.080
 C9V  CA8  H108  single    0.970  0.020  1.090
 C9V  CA8  H109  single    0.970  0.020  1.090
 C9V  CA9  H110  single    0.970  0.020  1.090
 C9V  CA9  H111  single    0.970  0.020  1.090
 C9V  CAA  H112  single    0.970  0.020  1.090
 C9V  CAA  H113  single    0.970  0.020  1.090
 C9V  CAB  H114  single    0.970  0.020  1.090
 C9V  CAB  H115  single    0.970  0.020  1.090
 C9V  CAC  H116  single    0.970  0.020  1.090
 C9V  CAC  H117  single    0.970  0.020  1.090
 C9V  CAD  H118  single    0.970  0.020  1.090
 C9V  CAD  H119  single    0.970  0.020  1.090
 C9V  CAE  H120  single    0.970  0.020  1.090
 C9V  CAE  H121  single    0.970  0.020  1.090
 C9V  CAF  H122  single    0.930  0.020  1.080
 C9V  CAG  H123  single    0.930  0.020  1.080
 C9V  CAH  H124  single    0.970  0.020  1.090
 C9V  CAH  H80   single    0.970  0.020  1.090
 C9V  CAI  H125  single    0.970  0.020  1.090
 C9V  CAI  H126  single    0.970  0.020  1.090
 C9V  CAJ  H128  single    0.970  0.020  1.090
 C9V  CAJ  H127  single    0.970  0.020  1.090
 C9V  CAK  H129  single    0.970  0.020  1.090
 C9V  CAK  H136  single    0.970  0.020  1.090
 C9V  CAL  H137  single    0.970  0.020  1.090
 C9V  CAL  H130  single    0.970  0.020  1.090
 C9V  CAM  H131  single    0.970  0.020  1.090
 C9V  CAM  H138  single    0.970  0.020  1.090
 C9V  CAN  H135  single    0.970  0.020  1.090
 C9V  CAN  H132  single    0.970  0.020  1.090
 C9V  CAO  H134  single    0.970  0.020  1.090
 C9V  CAO  H133  single    0.970  0.020  1.090
 C9V  CAO  H139  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
 C9V  CA1   CA2  CA4   106.17  3.000
 C9V  CA1   CA2  CA3   122.94  3.000
 C9V  CA4   CA2  CA3   130.90  3.000
 C9V  CA6   OA5  C23   119.57  3.000
 C9V  H3    CA3  H2    107.46  3.000
 C9V  H3    CA3  H1    107.38  3.000
 C9V  H2    CA3  H1    107.34  3.000
 C9V  H3    CA3  CA2   112.46  3.000
 C9V  H2    CA3  CA2   112.38  3.000
 C9V  H1    CA3  CA2   109.57  3.000
 C9V  N98   CA4  C87   120.73  3.000
 C9V  N98   CA4  CA2   107.36  3.000
 C9V  C87   CA4  CA2   131.82  3.000
 C9V  H6    C18  H5    107.53  3.000
 C9V  H6    C18  H4    107.82  3.000
 C9V  H5    C18  H4    109.62  3.000
 C9V  H6    C18  C19   109.55  3.000
 C9V  H5    C18  C19   111.93  3.000
 C9V  H4    C18  C19   110.27  3.000
 C9V  O21   C19  O20   123.37  3.000
 C9V  O21   C19  C18   111.81  3.000
 C9V  O20   C19  C18   124.81  3.000
 C9V  H8    C22  H7    107.92  3.000
 C9V  H8    C22  O21   110.49  3.000
 C9V  H7    C22  O21   109.64  3.000
 C9V  H8    C22  C23   109.35  3.000
 C9V  H7    C22  C23   110.06  3.000
 C9V  O21   C22  C23   109.37  3.000
 C9V  H9    C23  C24   106.51  3.000
 C9V  H9    C23  C22   106.99  3.000
 C9V  C24   C23  C22   114.70  3.000
 C9V  H9    C23  OA5   109.85  3.000
 C9V  C24   C23  OA5   106.76  3.000
 C9V  C22   C23  OA5   111.87  3.000
 C9V  H11   C24  H10   106.57  3.000
 C9V  H11   C24  O25   113.03  3.000
 C9V  H10   C24  O25   109.78  3.000
 C9V  H11   C24  C23   106.86  3.000
 C9V  H10   C24  C23   108.72  3.000
 C9V  O25   C24  C23   111.65  3.000
 C9V  H12   C31  O81   111.24  3.000
 C9V  H12   C31  C30   106.59  3.000
 C9V  O81   C31  C30   108.23  3.000
 C9V  H12   C31  C32   109.60  3.000
 C9V  C30   C31  C32   114.52  3.000
 C9V  O81   C31  C32   106.71  3.000
 C9V  H14   C32  H13   107.46  3.000
 C9V  H14   C32  O33   106.86  3.000
 C9V  H13   C32  O33   111.68  3.000
 C9V  H14   C32  C31   109.14  3.000
 C9V  H13   C32  C31   108.89  3.000
 C9V  O33   C32  C31   112.64  3.000
 C9V  H16   C38  H15   107.24  3.000
 C9V  H16   C38  O37   112.80  3.000
 C9V  H15   C38  O37   108.88  3.000
 C9V  H16   C38  C39   110.28  3.000
 C9V  H15   C38  C39   108.82  3.000
 C9V  O37   C38  C39   108.73  3.000
 C9V  H17   C39  O61   110.37  3.000
 C9V  H17   C39  C40   107.69  3.000
 C9V  O61   C39  C40   110.71  3.000
 C9V  H17   C39  C38   108.97  3.000
 C9V  O61   C39  C38   105.25  3.000
 C9V  C40   C39  C38   113.85  3.000
 C9V  H19   C40  H18   107.43  3.000
 C9V  H19   C40  O41   110.22  3.000
 C9V  H18   C40  O41   111.18  3.000
 C9V  H19   C40  C39   110.85  3.000
 C9V  H18   C40  C39   109.18  3.000
 C9V  O41   C40  C39   107.99  3.000
 C9V  O43   C42  O41   123.28  3.000
 C9V  O41   C42  C44   111.10  3.000
 C9V  O43   C42  C44   125.62  3.000
 C9V  H21   C44  H20   105.73  3.000
 C9V  H21   C44  C45   110.01  3.000
 C9V  H20   C44  C45   110.96  3.000
 C9V  H21   C44  C42   106.65  3.000
 C9V  H20   C44  C42   108.99  3.000
 C9V  C45   C44  C42   114.08  3.000
 C9V  H23   C45  H22   106.51  3.000
 C9V  H23   C45  C46   110.65  3.000
 C9V  H22   C45  C46   108.38  3.000
 C9V  H23   C45  C44   109.90  3.000
 C9V  H22   C45  C44   109.69  3.000
 C9V  C46   C45  C44   111.57  3.000
 C9V  H25   C46  H24   105.16  3.000
 C9V  H25   C46  C47   108.54  3.000
 C9V  H24   C46  C47   110.55  3.000
 C9V  H25   C46  C45   108.23  3.000
 C9V  H24   C46  C45   110.30  3.000
 C9V  C47   C46  C45   113.67  3.000
 C9V  H27   C47  H26   105.71  3.000
 C9V  H27   C47  C48   109.49  3.000
 C9V  H26   C47  C48   107.83  3.000
 C9V  H27   C47  C46   108.98  3.000
 C9V  H26   C47  C46   108.94  3.000
 C9V  C48   C47  C46   115.45  3.000
 C9V  H28   C51  C50   115.34  3.000
 C9V  H28   C51  C52   118.49  3.000
 C9V  C50   C51  C52   126.16  3.000
 C9V  H29   C52  C53   116.29  3.000
 C9V  H29   C52  C51   118.93  3.000
 C9V  C53   C52  C51   124.68  3.000
 C9V  H31   C53  H30   106.65  3.000
 C9V  H31   C53  C54   109.08  3.000
 C9V  H30   C53  C54   109.20  3.000
 C9V  H31   C53  C52   109.70  3.000
 C9V  H30   C53  C52   109.97  3.000
 C9V  C54   C53  C52   112.08  3.000
 C9V  H33   C54  H32   106.12  3.000
 C9V  H33   C54  C55   109.81  3.000
 C9V  H32   C54  C55   109.66  3.000
 C9V  H33   C54  C53   109.47  3.000
 C9V  H32   C54  C53   108.97  3.000
 C9V  C55   C54  C53   112.60  3.000
 C9V  H35   C55  H34   105.86  3.000
 C9V  H35   C55  C56   109.19  3.000
 C9V  H34   C55  C56   109.64  3.000
 C9V  H35   C55  C54   108.92  3.000
 C9V  H34   C55  C54   109.14  3.000
 C9V  C56   C55  C54   113.79  3.000
 C9V  H37   C56  H36   105.93  3.000
 C9V  H37   C56  C57   109.28  3.000
 C9V  H36   C56  C57   109.11  3.000
 C9V  H37   C56  C55   109.41  3.000
 C9V  H36   C56  C55   109.10  3.000
 C9V  C57   C56  C55   113.71  3.000
 C9V  H39   C57  H38   106.00  3.000
 C9V  H39   C57  C58   110.02  3.000
 C9V  H38   C57  C58   108.50  3.000
 C9V  H39   C57  C56   108.95  3.000
 C9V  H38   C57  C56   109.04  3.000
 C9V  C58   C57  C56   114.03  3.000
 C9V  H41   C58  H40   106.04  3.000
 C9V  H41   C58  C59   108.62  3.000
 C9V  H40   C58  C59   109.02  3.000
 C9V  H41   C58  C57   110.35  3.000
 C9V  H40   C58  C57   108.55  3.000
 C9V  C59   C58  C57   113.95  3.000
 C9V  H43   C59  H42   106.00  3.000
 C9V  H43   C59  C60   109.65  3.000
 C9V  H42   C59  C60   108.78  3.000
 C9V  H43   C59  C58   109.30  3.000
 C9V  H42   C59  C58   108.84  3.000
 C9V  C60   C59  C58   113.97  3.000
 C9V  H46   C60  H45   107.44  3.000
 C9V  H46   C60  H44   107.52  3.000
 C9V  H45   C60  H44   107.34  3.000
 C9V  H46   C60  C59   110.98  3.000
 C9V  H45   C60  C59   112.13  3.000
 C9V  H44   C60  C59   111.22  3.000
 C9V  H48   C64  H47   107.73  3.000
 C9V  H48   C64  C65   109.43  3.000
 C9V  H47   C64  C65   110.00  3.000
 C9V  H48   C64  C62   108.00  3.000
 C9V  H47   C64  C62   110.67  3.000
 C9V  C65   C64  C62   110.93  3.000
 C9V  H50   C65  H49   106.25  3.000
 C9V  H50   C65  C66   109.75  3.000
 C9V  H49   C65  C66   110.16  3.000
 C9V  H50   C65  C64   109.47  3.000
 C9V  H49   C65  C64   107.38  3.000
 C9V  C66   C65  C64   113.56  3.000
 C9V  H52   C66  H51   106.00  3.000
 C9V  H52   C66  C67   110.57  3.000
 C9V  H51   C66  C67   108.13  3.000
 C9V  H52   C66  C65   109.18  3.000
 C9V  H51   C66  C65   109.65  3.000
 C9V  C67   C66  C65   113.07  3.000
 C9V  H54   C67  H53   105.56  3.000
 C9V  H54   C67  C68   109.47  3.000
 C9V  H53   C67  C68   109.01  3.000
 C9V  H54   C67  C66   107.92  3.000
 C9V  H53   C67  C66   109.09  3.000
 C9V  C68   C67  C66   115.34  3.000
 C9V  H55   C71  C70   116.19  3.000
 C9V  H55   C71  C72   118.85  3.000
 C9V  C70   C71  C72   124.95  3.000
 C9V  H56   C72  C73   115.72  3.000
 C9V  H56   C72  C71   118.62  3.000
 C9V  C73   C72  C71   125.66  3.000
 C9V  H58   C73  H57   106.38  3.000
 C9V  H58   C73  C74   108.23  3.000
 C9V  H57   C73  C74   110.34  3.000
 C9V  H58   C73  C72   109.01  3.000
 C9V  H57   C73  C72   110.30  3.000
 C9V  C74   C73  C72   112.35  3.000
 C9V  H60   C74  H59   105.95  3.000
 C9V  H60   C74  C75   109.85  3.000
 C9V  H59   C74  C75   108.88  3.000
 C9V  H60   C74  C73   109.77  3.000
 C9V  H59   C74  C73   108.77  3.000
 C9V  C75   C74  C73   113.35  3.000
 C9V  H62   C75  H61   106.04  3.000
 C9V  H62   C75  C76   109.10  3.000
 C9V  H61   C75  C76   109.67  3.000
 C9V  H62   C75  C74   108.98  3.000
 C9V  H61   C75  C74   109.98  3.000
 C9V  C76   C75  C74   112.84  3.000
 C9V  H64   C76  H63   105.92  3.000
 C9V  H64   C76  C77   109.65  3.000
 C9V  H63   C76  C77   108.86  3.000
 C9V  H64   C76  C75   109.55  3.000
 C9V  H63   C76  C75   109.15  3.000
 C9V  C77   C76  C75   113.43  3.000
 C9V  H66   C77  H65   106.10  3.000
 C9V  H66   C77  C78   109.23  3.000
 C9V  H65   C77  C78   109.46  3.000
 C9V  H66   C77  C76   109.22  3.000
 C9V  H65   C77  C76   109.62  3.000
 C9V  C78   C77  C76   112.97  3.000
 C9V  H68   C78  H67   105.80  3.000
 C9V  H68   C78  C79   109.55  3.000
 C9V  H67   C78  C79   109.32  3.000
 C9V  H68   C78  C77   109.23  3.000
 C9V  H67   C78  C77   109.31  3.000
 C9V  C79   C78  C77   113.36  3.000
 C9V  H70   C79  H69   106.09  3.000
 C9V  H70   C79  C80   109.39  3.000
 C9V  H69   C79  C80   109.62  3.000
 C9V  H70   C79  C78   109.26  3.000
 C9V  H69   C79  C78   109.22  3.000
 C9V  C80   C79  C78   113.03  3.000
 C9V  H73   C80  H72   107.47  3.000
 C9V  H73   C80  H71   107.64  3.000
 C9V  H72   C80  H71   107.59  3.000
 C9V  H73   C80  C79   111.15  3.000
 C9V  H72   C80  C79   111.18  3.000
 C9V  H71   C80  C79   111.61  3.000
 C9V  O83   C82  O81   117.28  3.000
 C9V  O81   C82  C84   119.10  3.000
 C9V  O83   C82  C84   123.61  3.000
 C9V  H75   C84  H74   105.07  3.000
 C9V  H75   C84  C85   108.42  3.000
 C9V  H74   C84  C85   109.97  3.000
 C9V  H75   C84  C82   108.69  3.000
 C9V  H74   C84  C82   109.11  3.000
 C9V  C85   C84  C82   115.08  3.000
 C9V  H77   C85  H76   105.76  3.000
 C9V  H77   C85  C86   109.79  3.000
 C9V  H76   C85  C86   107.84  3.000
 C9V  H77   C85  C84   110.38  3.000
 C9V  H76   C85  C84   106.61  3.000
 C9V  C86   C85  C84   115.89  3.000
 C9V  H79   C86  H78   105.54  3.000
 C9V  H79   C86  C87   109.91  3.000
 C9V  H78   C86  C87   111.38  3.000
 C9V  H79   C86  C85   109.88  3.000
 C9V  H78   C86  C85   110.97  3.000
 C9V  C87   C86  C85   109.11  3.000
 C9V  C88   C87  C86   120.61  3.000
 C9V  C86   C87  CA4   118.88  3.000
 C9V  C88   C87  CA4   120.25  3.000
 C9V  P26   O25  C24   118.73  3.000
 C9V  H83   C30  H82   106.75  3.000
 C9V  H83   C30  O29   110.79  3.000
 C9V  H82   C30  O29   112.14  3.000
 C9V  H83   C30  C31   108.37  3.000
 C9V  H82   C30  C31   108.03  3.000
 C9V  O29   C30  C31   110.59  3.000
 C9V  P34   O33  C32   121.76  3.000
 C9V  O37   P34  O36   111.24  3.000
 C9V  O37   P34  O35   104.68  3.000
 C9V  O36   P34  O35   122.15  3.000
 C9V  O37   P34  O33    98.95  3.000
 C9V  O35   P34  O33   108.82  3.000
 C9V  O36   P34  O33   108.51  3.000
 C9V  P34   O37  C38   121.46  3.000
 C9V  C42   O41  C40   118.41  3.000
 C9V  H86   C48  H85   106.00  3.000
 C9V  H86   C48  C49   109.77  3.000
 C9V  H85   C48  C49   109.31  3.000
 C9V  H86   C48  C47   110.91  3.000
 C9V  H85   C48  C47   108.24  3.000
 C9V  C49   C48  C47   112.38  3.000
 C9V  H88   C49  H87   105.78  3.000
 C9V  H88   C49  C50   108.27  3.000
 C9V  H87   C49  C50   109.04  3.000
 C9V  H88   C49  C48   108.99  3.000
 C9V  H87   C49  C48   110.21  3.000
 C9V  C50   C49  C48   114.20  3.000
 C9V  H90   C50  H89   106.43  3.000
 C9V  H90   C50  C49   108.09  3.000
 C9V  H89   C50  C49   110.56  3.000
 C9V  H90   C50  C51   108.68  3.000
 C9V  H89   C50  C51   110.48  3.000
 C9V  C49   C50  C51   112.37  3.000
 C9V  C62   O61  C39   119.26  3.000
 C9V  H92   C68  H91   105.47  3.000
 C9V  H92   C68  C69   109.19  3.000
 C9V  H91   C68  C69   107.63  3.000
 C9V  H92   C68  C67   110.24  3.000
 C9V  H91   C68  C67   109.14  3.000
 C9V  C69   C68  C67   114.74  3.000
 C9V  H94   C69  H93   106.08  3.000
 C9V  H94   C69  C70   108.69  3.000
 C9V  H93   C69  C70   108.76  3.000
 C9V  H94   C69  C68   108.58  3.000
 C9V  H93   C69  C68   109.38  3.000
 C9V  C70   C69  C68   114.98  3.000
 C9V  H96   C70  H95   106.53  3.000
 C9V  H96   C70  C69   110.39  3.000
 C9V  H95   C70  C69   108.75  3.000
 C9V  H96   C70  C71   109.30  3.000
 C9V  H95   C70  C71   109.71  3.000
 C9V  C69   C70  C71   112.00  3.000
 C9V  C82   O81  C31   124.98  3.000
 C9V  N94   C88  C89   107.36  3.000
 C9V  N94   C88  C87   120.71  3.000
 C9V  C89   C88  C87   131.92  3.000
 C9V  C91   C89  C90   123.23  3.000
 C9V  C90   C89  C88   130.55  3.000
 C9V  C91   C89  C88   106.20  3.000
 C9V  H99   C90  H98   107.76  3.000
 C9V  H99   C90  H97   107.38  3.000
 C9V  H98   C90  H97   107.26  3.000
 C9V  H99   C90  C89   109.80  3.000
 C9V  H98   C90  C89   112.93  3.000
 C9V  H97   C90  C89   111.49  3.000
 C9V  H100  C91  C92   125.22  3.000
 C9V  H100  C91  C89   126.28  3.000
 C9V  C92   C91  C89   108.51  3.000
 C9V  N94   C92  C93   124.75  3.000
 C9V  N94   C92  C91   108.81  3.000
 C9V  C93   C92  C91   126.44  3.000
 C9V  H103  C93  H102  108.12  3.000
 C9V  H103  C93  H101  107.79  3.000
 C9V  H102  C93  H101  107.36  3.000
 C9V  H103  C93  C92   109.72  3.000
 C9V  H102  C93  C92   112.13  3.000
 C9V  H101  C93  C92   111.54  3.000
 C9V  B95   N94  C92   125.61  3.000
 C9V  B95   N94  C88   125.09  3.000
 C9V  C92   N94  C88   109.12  3.000
 C9V  N98   B95  F97   110.06  3.000
 C9V  N98   B95  F96   110.04  3.000
 C9V  F97   B95  F96   109.32  3.000
 C9V  N98   B95  N94   107.07  3.000
 C9V  F97   B95  N94   110.58  3.000
 C9V  F96   B95  N94   109.75  3.000
 C9V  C99   N98  B95   125.49  3.000
 C9V  C99   N98  CA4   109.25  3.000
 C9V  B95   N98  CA4   125.10  3.000
 C9V  CA1   C99  CA0   126.62  3.000
 C9V  CA1   C99  N98   108.74  3.000
 C9V  CA0   C99  N98   124.63  3.000
 C9V  H106  CA0  H105  107.47  3.000
 C9V  H106  CA0  H104  107.79  3.000
 C9V  H105  CA0  H104  108.16  3.000
 C9V  H106  CA0  C99   111.23  3.000
 C9V  H105  CA0  C99   112.40  3.000
 C9V  H104  CA0  C99   109.62  3.000
 C9V  H107  CA1  C99   125.16  3.000
 C9V  H107  CA1  CA2   126.35  3.000
 C9V  C99   CA1  CA2   108.48  3.000
 C9V  H109  CA8  H108  107.04  3.000
 C9V  H109  CA8  CA9   109.68  3.000
 C9V  H108  CA8  CA9   110.26  3.000
 C9V  H109  CA8  CA6   107.78  3.000
 C9V  H108  CA8  CA6   107.69  3.000
 C9V  CA9   CA8  CA6   114.14  3.000
 C9V  H111  CA9  H110  106.04  3.000
 C9V  H111  CA9  CAA   109.65  3.000
 C9V  H110  CA9  CAA   109.71  3.000
 C9V  H111  CA9  CA8   110.23  3.000
 C9V  H110  CA9  CA8   107.55  3.000
 C9V  CAA   CA9  CA8   113.38  3.000
 C9V  H113  CAA  H112  106.13  3.000
 C9V  H113  CAA  CAB   109.25  3.000
 C9V  H112  CAA  CAB   108.60  3.000
 C9V  H113  CAA  CA9   109.79  3.000
 C9V  H112  CAA  CA9   109.40  3.000
 C9V  CAB   CAA  CA9   113.42  3.000
 C9V  H115  CAB  H114  105.89  3.000
 C9V  H115  CAB  CAC   109.75  3.000
 C9V  H114  CAB  CAC   110.38  3.000
 C9V  H115  CAB  CAA   109.61  3.000
 C9V  H114  CAB  CAA   109.66  3.000
 C9V  CAC   CAB  CAA   111.40  3.000
 C9V  H117  CAC  H116  105.78  3.000
 C9V  H117  CAC  CAD   108.26  3.000
 C9V  H116  CAC  CAD   108.78  3.000
 C9V  H117  CAC  CAB   108.99  3.000
 C9V  H116  CAC  CAB   108.37  3.000
 C9V  CAD   CAC  CAB   116.17  3.000
 C9V  H119  CAD  H118  105.72  3.000
 C9V  H119  CAD  CAE   109.15  3.000
 C9V  H118  CAD  CAE   108.99  3.000
 C9V  H119  CAD  CAC   109.73  3.000
 C9V  H118  CAD  CAC   107.77  3.000
 C9V  CAE   CAD  CAC   115.06  3.000
 C9V  H121  CAE  H120  105.95  3.000
 C9V  H121  CAE  CAF   107.71  3.000
 C9V  H120  CAE  CAF   110.44  3.000
 C9V  H121  CAE  CAD   108.07  3.000
 C9V  H120  CAE  CAD   110.52  3.000
 C9V  CAF   CAE  CAD   113.78  3.000
 C9V  H122  CAF  CAG   118.26  3.000
 C9V  H122  CAF  CAE   115.01  3.000
 C9V  CAG   CAF  CAE   126.70  3.000
 C9V  H123  CAG  CAH   116.52  3.000
 C9V  H123  CAG  CAF   119.16  3.000
 C9V  CAH   CAG  CAF   124.32  3.000
 C9V  H80   CAH  H124  106.16  3.000
 C9V  H80   CAH  CAI   108.19  3.000
 C9V  H124  CAH  CAI   109.51  3.000
 C9V  H80   CAH  CAG   109.49  3.000
 C9V  H124  CAH  CAG   109.45  3.000
 C9V  CAI   CAH  CAG   113.76  3.000
 C9V  H126  CAI  H125  106.22  3.000
 C9V  H126  CAI  CAJ   109.36  3.000
 C9V  H125  CAI  CAJ   110.64  3.000
 C9V  H126  CAI  CAH   109.63  3.000
 C9V  H125  CAI  CAH   109.20  3.000
 C9V  CAJ   CAI  CAH   111.64  3.000
 C9V  H127  CAJ  H128  105.89  3.000
 C9V  H127  CAJ  CAK   109.18  3.000
 C9V  H128  CAJ  CAK   109.04  3.000
 C9V  H127  CAJ  CAI   109.31  3.000
 C9V  H128  CAJ  CAI   108.33  3.000
 C9V  CAK   CAJ  CAI   114.72  3.000
 C9V  H136  CAK  H129  106.05  3.000
 C9V  H136  CAK  CAL   108.49  3.000
 C9V  H129  CAK  CAL   110.37  3.000
 C9V  H136  CAK  CAJ   108.71  3.000
 C9V  H129  CAK  CAJ   109.09  3.000
 C9V  CAL   CAK  CAJ   113.83  3.000
 C9V  H130  CAL  H137  105.90  3.000
 C9V  H130  CAL  CAM   109.13  3.000
 C9V  H137  CAL  CAM   108.91  3.000
 C9V  H130  CAL  CAK   110.18  3.000
 C9V  H137  CAL  CAK   108.46  3.000
 C9V  CAM   CAL  CAK   113.94  3.000
 C9V  H138  CAM  H131  105.87  3.000
 C9V  H138  CAM  CAN   108.86  3.000
 C9V  H131  CAM  CAN   109.34  3.000
 C9V  H138  CAM  CAL   109.22  3.000
 C9V  H131  CAM  CAL   109.32  3.000
 C9V  CAN   CAM  CAL   113.91  3.000
 C9V  H132  CAN  H135  106.05  3.000
 C9V  H132  CAN  CAO   108.67  3.000
 C9V  H135  CAN  CAO   109.78  3.000
 C9V  H132  CAN  CAM   110.07  3.000
 C9V  H135  CAN  CAM   108.88  3.000
 C9V  CAO   CAN  CAM   113.15  3.000
 C9V  H139  CAO  H133  107.50  3.000
 C9V  H139  CAO  H134  107.64  3.000
 C9V  H133  CAO  H134  107.43  3.000
 C9V  H139  CAO  CAN   111.51  3.000
 C9V  H133  CAO  CAN   111.09  3.000
 C9V  H134  CAO  CAN   111.47  3.000
 C9V  O63   C62  O61   123.67  3.000
 C9V  O63   C62  C64   124.09  3.000
 C9V  O61   C62  C64   112.24  3.000
 C9V  O29   P26  O28   106.71  3.000
 C9V  O28   P26  O27   121.44  3.000
 C9V  O29   P26  O27   110.72  3.000
 C9V  O27   P26  O25   109.00  3.000
 C9V  O28   P26  O25   109.55  3.000
 C9V  O29   P26  O25    96.54  3.000
 C9V  CA8   CA6  OA7   125.03  3.000
 C9V  OA7   CA6  OA5   123.54  3.000
 C9V  CA8   CA6  OA5   111.41  3.000
 C9V  C30   O29  P26   119.80  3.000
 C9V  C22   O21  C19   117.27  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
 C9V  CONST_01  C92   C91  C89  C88      0.00   0.0  0
 C9V  CONST_02  C91   C92  N94  C88      0.00   0.0  0
 C9V  CONST_03  N94   C92  C91  C89      0.00   0.0  0
 C9V  CONST_04  C92   N94  C88  C89      0.00   0.0  0
 C9V  CONST_05  N94   C88  C89  C91      0.00   0.0  0
 C9V  CONST_06  C90   C89  C88  C87      0.00   0.0  0
 C9V  CONST_07  C93   C92  N94  C88    180.00   0.0  0
 C9V  CONST_08  C93   C92  C91  C89    180.00   0.0  0
 C9V  CONST_09  C92   C91  C89  C90    180.00   0.0  0
 C9V  CONST_10  N94   C88  C89  C90    180.00   0.0  0
 C9V  CONST_11  B95   N94  C92  C93      0.00   0.0  0
 C9V  CONST_12  H100  C91  C89  C88    180.00   0.0  0
 C9V  CONST_13  H100  C91  C92  N94    180.00   0.0  0
 C9V  Var_01    C88   C87  CA4  CA2    178.31   0.0  0
 C9V  Var_02    CA1   C99  N98  CA4      0.66   0.0  0
 C9V  Var_03    N98   CA4  C87  C88      2.21   0.0  0
 C9V  Var_04    CA1   C99  N98  B95   -174.89   0.0  0
 C9V  Var_05    B95   N98  CA4  CA2    174.91  30.0  1
 C9V  Var_06    C99   N98  CA4  CA2     -0.66  30.0  1
 C9V  Var_07    N98   C99  CA1  CA2     -0.40  30.0  1
 C9V  Var_08    C89   C88  C87  CA4    180.00  30.0  1
 C9V  Var_09    N94   C88  C87  CA4     -1.57  30.0  1
 C9V  Var_10    N94   B95  N98  CA4     11.35  30.0  1
 C9V  Var_11    C99   CA1  CA2  CA4     -0.01  30.0  1
 C9V  Var_12    B95   N98  CA4  C87     -8.13  30.0  1
 C9V  Var_13    C99   N98  CA4  C87    176.30  30.0  1
 C9V  Var_14    CA1   CA2  CA4  C87   -176.10  30.0  1
 C9V  Var_15    N98   B95  N94  C88    -10.70  30.0  1
 C9V  Var_16    N98   B95  N94  C92    174.67  30.0  1
 C9V  Var_17    C99   N98  B95  N94   -173.79  30.0  1
 C9V  Var_18    CA1   CA2  CA4  N98      0.40  30.0  1
 C9V  Var_19    C86   C87  CA4  CA2      4.20   0.0  0
 C9V  Var_20    CA0   C99  N98  CA4   -178.22   0.0  0
 C9V  Var_21    N98   CA4  C87  C86   -171.90   0.0  0
 C9V  Var_22    CA0   C99  N98  B95      6.24   0.0  0
 C9V  Var_23    CA0   C99  CA1  CA2    178.44  30.0  1
 C9V  Var_24    C87   CA4  CA2  CA3      3.78  30.0  1
 C9V  Var_25    N98   CA4  CA2  CA3   -179.73  30.0  1
 C9V  Var_26    C99   CA1  CA2  CA3   -179.90  30.0  1
 C9V  Var_27    F96   B95  N98  CA4   -107.86  30.0  1
 C9V  Var_28    F97   B95  N98  CA4    131.60  30.0  1
 C9V  Var_29    C89   C88  C87  C86     -5.99  30.0  1
 C9V  Var_30    N94   C88  C87  C86    172.43  30.0  1
 C9V  Var_31    F96   B95  N94  C88    108.71  30.0  1
 C9V  Var_32    F97   B95  N94  C88   -130.61  30.0  1
 C9V  Var_33    F96   B95  N94  C92    -65.92  30.0  1
 C9V  Var_34    F97   B95  N94  C92     54.76  30.0  1
 C9V  Var_35    C99   N98  B95  F96     66.99  30.0  1
 C9V  Var_36    C99   N98  B95  F97    -53.55  30.0  1
 C9V  Var_37    H107  CA1  CA2  CA4    179.63  30.0  1
 C9V  Var_38    H107  CA1  C99  N98    179.96  30.0  1
 C9V  Var_39    C85   C86  C87  CA4     79.91  30.0  3
 C9V  Var_40    C88   C87  C86  C85    -94.18  30.0  3
 C9V  Var_41    H107  CA1  CA2  CA3     -0.26  30.0  1
 C9V  Var_42    H78   C86  C87  CA4   -157.24  30.0  3
 C9V  Var_43    H79   C86  C87  CA4    -40.64  30.0  3
 C9V  Var_44    H1    CA3  CA2  CA4    178.96  30.0  3
 C9V  Var_45    H2    CA3  CA2  CA4    -61.80  30.0  3
 C9V  Var_46    H3    CA3  CA2  CA4     59.62  30.0  3
 C9V  Var_47    H97   C90  C89  C88    -65.36  30.0  2
 C9V  Var_48    H98   C90  C89  C88     55.49  30.0  2
 C9V  Var_49    H99   C90  C89  C88    175.76  30.0  2
 C9V  Var_50    H78   C86  C87  C88     28.67  30.0  3
 C9V  Var_51    H79   C86  C87  C88    145.27  30.0  3
 C9V  Var_52    H101  C93  C92  C91    112.60  30.0  2
 C9V  Var_53    H102  C93  C92  C91   -126.94  30.0  2
 C9V  Var_54    H103  C93  C92  C91     -6.77  30.0  2
 C9V  Var_55    H97   C90  C89  C91    112.69  30.0  2
 C9V  Var_56    H98   C90  C89  C91   -126.45  30.0  2
 C9V  Var_57    H99   C90  C89  C91     -6.18  30.0  2
 C9V  Var_58    H101  C93  C92  N94    -67.24  30.0  2
 C9V  Var_59    H102  C93  C92  N94     53.22  30.0  2
 C9V  Var_60    H103  C93  C92  N94    173.39  30.0  2
 C9V  Var_61    H104  CA0  C99  N98   -171.73  30.0  3
 C9V  Var_62    H105  CA0  C99  N98    -51.41  30.0  3
 C9V  Var_63    H106  CA0  C99  N98     69.16  30.0  3
 C9V  Var_64    H107  CA1  C99  CA0     -1.20  30.0  1
 C9V  Var_65    H104  CA0  C99  CA1      9.60  30.0  3
 C9V  Var_66    H105  CA0  C99  CA1    129.92  30.0  3
 C9V  Var_67    H106  CA0  C99  CA1   -109.51  30.0  3
 C9V  Var_68    H1    CA3  CA2  CA1     -1.18  30.0  3
 C9V  Var_69    H2    CA3  CA2  CA1    118.06  30.0  3
 C9V  Var_70    H3    CA3  CA2  CA1   -120.52  30.0  3
 C9V  Var_71    C87   C86  C85  C84   -165.54  30.0  3
 C9V  Var_72    H76   C85  C86  C87    -46.19  30.0  2
 C9V  Var_73    H77   C85  C86  C87     68.58  30.0  2
 C9V  Var_74    C50   C51  C52  C53   -175.35   0.0  2
 C9V  Var_75    C70   C71  C72  C73   -179.25   0.0  2
 C9V  Var_76    CAH   CAG  CAF  CAE   -177.96   0.0  2
 C9V  Var_77    CA9   CA8  CA6  OA5    -51.22  30.0  1
 C9V  Var_78    CA9   CA8  CA6  OA7    130.49  30.0  1
 C9V  Var_79    C23   OA5  CA6  OA7     -1.09  30.0  3
 C9V  Var_80    C22   O21  C19  C18    177.14  30.0  3
 C9V  Var_81    C23   C22  O21  C19   -172.83  30.0  3
 C9V  Var_82    O20   C19  O21  C22     -2.01  30.0  2
 C9V  Var_83    CA8   CA6  OA5  C23   -179.41  30.0  1
 C9V  Var_84    P26   O25  C24  C23   -131.36  30.0  3
 C9V  Var_85    O29   P26  O25  C24    178.67  30.0  3
 C9V  Var_86    O28   P26  O25  C24    -70.98  30.0  3
 C9V  Var_87    O27   P26  O25  C24     64.08  30.0  3
 C9V  Var_88    CAA   CA9  CA8  CA6    -53.44  30.0  2
 C9V  Var_89    O83   C82  O81  C31   -177.59  30.0  3
 C9V  Var_90    C84   C82  O81  C31      2.65  30.0  3
 C9V  Var_91    P26   O29  C30  C31    146.26  30.0  2
 C9V  Var_92    P34   O33  C32  C31     69.01  30.0  3
 C9V  Var_93    O36   P34  O33  C32     18.74  30.0  3
 C9V  Var_94    O35   P34  O33  C32   -116.25  30.0  3
 C9V  Var_95    O37   P34  O33  C32    134.80  30.0  3
 C9V  Var_96    O36   P34  O37  C38     47.40  30.0  1
 C9V  Var_97    O33   P34  O37  C38    -66.55  30.0  1
 C9V  Var_98    O35   P34  O37  C38   -178.82  30.0  1
 C9V  Var_99    C42   O41  C40  C39   -161.42  30.0  3
 C9V  Var_100   O63   C62  O61  C39     -3.67  30.0  3
 C9V  Var_101   C64   C62  O61  C39    175.94  30.0  3
 C9V  Var_102   P34   O37  C38  C39   -120.35  30.0  2
 C9V  Var_103   C44   C42  O41  C40    169.36  30.0  2
 C9V  Var_104   O43   C42  O41  C40     -9.71  30.0  2
 C9V  Var_105   C46   C45  C44  C42    168.95  30.0  2
 C9V  Var_106   C47   C46  C45  C44   -174.21  30.0  3
 C9V  Var_107   C48   C47  C46  C45    -72.30  30.0  2
 C9V  Var_108   O43   C42  C44  C45     -3.68  30.0  3
 C9V  Var_109   O41   C42  C44  C45    177.28  30.0  3
 C9V  Var_110   C49   C48  C47  C46    -59.81  30.0  2
 C9V  Var_111   C50   C49  C48  C47   -164.21  30.0  3
 C9V  Var_112   C54   C53  C52  C51    102.64  30.0  2
 C9V  Var_113   C48   C49  C50  C51     68.59  30.0  3
 C9V  Var_114   C55   C54  C53  C52    -65.28  30.0  2
 C9V  Var_115   C49   C50  C51  C52   -130.44  30.0  3
 C9V  Var_116   C56   C55  C54  C53    178.94  30.0  3
 C9V  Var_117   C57   C56  C55  C54   -179.73  30.0  2
 C9V  Var_118   C58   C57  C56  C55     65.91  30.0  3
 C9V  Var_119   C59   C58  C57  C56    174.72  30.0  3
 C9V  Var_120   C60   C59  C58  C57     67.68  30.0  2
 C9V  Var_121   C66   C65  C64  C62     62.57  30.0  3
 C9V  Var_122   C67   C66  C65  C64    175.78  30.0  2
 C9V  Var_123   O61   C62  C64  C65   -109.65  30.0  2
 C9V  Var_124   O63   C62  C64  C65     69.96  30.0  2
 C9V  Var_125   C68   C67  C66  C65    -72.32  30.0  3
 C9V  Var_126   C69   C68  C67  C66    -92.69  30.0  1
 C9V  Var_127   C70   C69  C68  C67     61.72  30.0  2
 C9V  Var_128   C74   C73  C72  C71    123.79  30.0  2
 C9V  Var_129   C68   C69  C70  C71    172.99  30.0  3
 C9V  Var_130   C75   C74  C73  C72    173.76  30.0  3
 C9V  Var_131   C69   C70  C71  C72    119.05  30.0  3
 C9V  Var_132   C76   C75  C74  C73   -174.81  30.0  2
 C9V  Var_133   C77   C76  C75  C74    174.12  30.0  2
 C9V  Var_134   C78   C77  C76  C75   -178.53  30.0  2
 C9V  Var_135   C79   C78  C77  C76   -179.70  30.0  1
 C9V  Var_136   C80   C79  C78  C77   -177.60  30.0  2
 C9V  Var_137   C86   C85  C84  C82    -75.06  30.0  3
 C9V  Var_138   O83   C82  C84  C85      3.31  30.0  2
 C9V  Var_139   O81   C82  C84  C85   -176.94  30.0  2
 C9V  Var_140   C30   O29  P26  O25    -74.66  30.0  3
 C9V  Var_141   C30   O29  P26  O27     38.54  30.0  3
 C9V  Var_142   C30   O29  P26  O28    172.63  30.0  3
 C9V  Var_143   CAB   CAA  CA9  CA8   -171.77  30.0  2
 C9V  Var_144   CAC   CAB  CAA  CA9   -165.65  30.0  2
 C9V  Var_145   CAD   CAC  CAB  CAA   -171.60  30.0  2
 C9V  Var_146   CAE   CAD  CAC  CAB    -56.41  30.0  1
 C9V  Var_147   CAF   CAE  CAD  CAC     90.50  30.0  2
 C9V  Var_148   CAG   CAF  CAE  CAD   -129.40  30.0  2
 C9V  Var_149   CAI   CAH  CAG  CAF   -121.71  30.0  1
 C9V  Var_150   CAJ   CAI  CAH  CAG    176.19  30.0  3
 C9V  Var_151   CAK   CAJ  CAI  CAH    177.51  30.0  1
 C9V  Var_152   CAL   CAK  CAJ  CAI    -70.42  30.0  3
 C9V  Var_153   CAM   CAL  CAK  CAJ   -173.68  30.0  3
 C9V  Var_154   CAN   CAM  CAL  CAK    -66.32  30.0  3
 C9V  Var_155   CAO   CAN  CAM  CAL   -179.07  30.0  3
 C9V  Var_156   H28   C51  C52  C53      3.43   0.0  2
 C9V  Var_157   H55   C71  C72  C73     -0.47   0.0  2
 C9V  Var_158   H29   C52  C51  C50      0.87   0.0  2
 C9V  Var_159   H56   C72  C71  C70      0.23   0.0  2
 C9V  Var_160   H123  CAG  CAF  CAE      1.97   0.0  2
 C9V  Var_161   H122  CAF  CAG  CAH     -0.06   0.0  2
 C9V  Var_162   H108  CA8  CA6  OA5   -173.98  30.0  1
 C9V  Var_163   H109  CA8  CA6  OA5     70.85  30.0  1
 C9V  Var_164   H108  CA8  CA6  OA7      7.73  30.0  1
 C9V  Var_165   H109  CA8  CA6  OA7   -107.43  30.0  1
 C9V  Var_166   H7    C22  O21  C19    -52.07  30.0  3
 C9V  Var_167   H8    C22  O21  C19     66.76  30.0  3
 C9V  Var_168   H110  CA9  CA8  CA6   -174.91  30.0  2
 C9V  Var_169   H111  CA9  CA8  CA6     69.91  30.0  2
 C9V  Var_170   H22   C45  C44  C42     48.84  30.0  2
 C9V  Var_171   H23   C45  C44  C42    -67.94  30.0  2
 C9V  Var_172   H18   C40  O41  C42    -41.67  30.0  3
 C9V  Var_173   H19   C40  O41  C42     77.35  30.0  3
 C9V  Var_174   H24   C46  C45  C44     60.99  30.0  3
 C9V  Var_175   H25   C46  C45  C44    -53.56  30.0  3
 C9V  Var_176   H26   C47  C46  C45    166.25  30.0  2
 C9V  Var_177   H27   C47  C46  C45     51.37  30.0  2
 C9V  Var_178   H85   C48  C47  C46    179.38  30.0  2
 C9V  Var_179   H86   C48  C47  C46     63.49  30.0  2
 C9V  Var_180   H20   C44  C45  C46    -67.49  30.0  3
 C9V  Var_181   H21   C44  C45  C46     49.16  30.0  3
 C9V  Var_182   H87   C49  C48  C47     72.65  30.0  3
 C9V  Var_183   H88   C49  C48  C47    -43.01  30.0  3
 C9V  Var_184   H22   C45  C46  C47    -53.34  30.0  3
 C9V  Var_185   H23   C45  C46  C47     63.10  30.0  3
 C9V  Var_186   H30   C53  C52  C51    -19.03  30.0  2
 C9V  Var_187   H31   C53  C52  C51   -136.03  30.0  2
 C9V  Var_188   H87   C49  C50  C51   -167.65  30.0  3
 C9V  Var_189   H88   C49  C50  C51    -53.01  30.0  3
 C9V  Var_190   H32   C54  C53  C52    172.82  30.0  2
 C9V  Var_191   H33   C54  C53  C52     57.17  30.0  2
 C9V  Var_192   H89   C50  C51  C52     -6.44  30.0  3
 C9V  Var_193   H90   C50  C51  C52    109.98  30.0  3
 C9V  Var_194   H34   C55  C54  C53     56.13  30.0  3
 C9V  Var_195   H35   C55  C54  C53    -59.00  30.0  3
 C9V  Var_196   H36   C56  C55  C54     58.24  30.0  2
 C9V  Var_197   H37   C56  C55  C54    -57.24  30.0  2
 C9V  Var_198   H29   C52  C53  C54    -73.67  30.0  3
 C9V  Var_199   H38   C57  C56  C55   -172.67  30.0  3
 C9V  Var_200   H39   C57  C56  C55    -57.41  30.0  3
 C9V  Var_201   H30   C53  C54  C55     56.83  30.0  3
 C9V  Var_202   H31   C53  C54  C55    173.03  30.0  3
 C9V  Var_203   H40   C58  C57  C56     53.04  30.0  3
 C9V  Var_204   H41   C58  C57  C56    -62.77  30.0  3
 C9V  Var_205   H32   C54  C55  C56    -59.55  30.0  1
 C9V  Var_206   H33   C54  C55  C56     56.68  30.0  1
 C9V  Var_207   H34   C55  C56  C57    -57.20  30.0  3
 C9V  Var_208   H35   C55  C56  C57     58.36  30.0  3
 C9V  Var_209   H42   C59  C58  C57   -170.72  30.0  2
 C9V  Var_210   H43   C59  C58  C57    -55.38  30.0  2
 C9V  Var_211   H44   C60  C59  C58    178.60  30.0  3
 C9V  Var_212   H45   C60  C59  C58    -61.20  30.0  3
 C9V  Var_213   H46   C60  C59  C58     58.96  30.0  3
 C9V  Var_214   H36   C56  C57  C58   -172.06  30.0  1
 C9V  Var_215   H37   C56  C57  C58    -56.65  30.0  1
 C9V  Var_216   H38   C57  C58  C59     53.00  30.0  2
 C9V  Var_217   H39   C57  C58  C59    -62.55  30.0  2
 C9V  Var_218   H40   C58  C59  C60   -170.89  30.0  3
 C9V  Var_219   H41   C58  C59  C60    -55.77  30.0  3
 C9V  Var_220   H49   C65  C64  C62   -175.40  30.0  3
 C9V  Var_221   H50   C65  C64  C62    -60.46  30.0  3
 C9V  Var_222   H51   C66  C65  C64    -63.48  30.0  2
 C9V  Var_223   H52   C66  C65  C64     52.25  30.0  2
 C9V  Var_224   H53   C67  C66  C65    164.64  30.0  3
 C9V  Var_225   H54   C67  C66  C65     50.42  30.0  3
 C9V  Var_226   H47   C64  C65  C66    -60.20  30.0  1
 C9V  Var_227   H48   C64  C65  C66   -178.37  30.0  1
 C9V  Var_228   H91   C68  C67  C66    146.45  30.0  1
 C9V  Var_229   H92   C68  C67  C66     31.06  30.0  1
 C9V  Var_230   H93   C69  C68  C67    -60.97  30.0  2
 C9V  Var_231   H94   C69  C68  C67   -176.30  30.0  2
 C9V  Var_232   H49   C65  C66  C67     55.31  30.0  3
 C9V  Var_233   H50   C65  C66  C67    -61.34  30.0  3
 C9V  Var_234   H57   C73  C72  C71      0.22  30.0  2
 C9V  Var_235   H58   C73  C72  C71   -116.24  30.0  2
 C9V  Var_236   H93   C69  C70  C71    -63.99  30.0  3
 C9V  Var_237   H94   C69  C70  C71     51.08  30.0  3
 C9V  Var_238   H59   C74  C73  C72     52.50  30.0  3
 C9V  Var_239   H60   C74  C73  C72    -63.00  30.0  3
 C9V  Var_240   H95   C70  C71  C72   -120.08  30.0  3
 C9V  Var_241   H96   C70  C71  C72     -3.61  30.0  3
 C9V  Var_242   H61   C75  C74  C73     62.39  30.0  2
 C9V  Var_243   H62   C75  C74  C73    -53.45  30.0  2
 C9V  Var_244   H63   C76  C75  C74     52.56  30.0  2
 C9V  Var_245   H64   C76  C75  C74    -63.00  30.0  2
 C9V  Var_246   H56   C72  C73  C74    -55.71  30.0  3
 C9V  Var_247   H65   C77  C76  C75     59.11  30.0  2
 C9V  Var_248   H66   C77  C76  C75    -56.74  30.0  2
 C9V  Var_249   H57   C73  C74  C75    -62.69  30.0  3
 C9V  Var_250   H58   C73  C74  C75     53.34  30.0  3
 C9V  Var_251   H67   C78  C77  C76     58.08  30.0  1
 C9V  Var_252   H68   C78  C77  C76    -57.25  30.0  1
 C9V  Var_253   H59   C74  C75  C76    -53.61  30.0  3
 C9V  Var_254   H60   C74  C75  C76     62.00  30.0  3
 C9V  Var_255   H69   C79  C78  C77     60.09  30.0  2
 C9V  Var_256   H70   C79  C78  C77    -55.55  30.0  2
 C9V  Var_257   H61   C75  C76  C77    -62.90  30.0  3
 C9V  Var_258   H62   C75  C76  C77     52.83  30.0  3
 C9V  Var_259   H71   C80  C79  C78    179.45  30.0  3
 C9V  Var_260   H72   C80  C79  C78    -60.40  30.0  3
 C9V  Var_261   H73   C80  C79  C78     59.27  30.0  3
 C9V  Var_262   H63   C76  C77  C78    -56.80  30.0  3
 C9V  Var_263   H64   C76  C77  C78     58.65  30.0  3
 C9V  Var_264   H65   C77  C78  C79    -57.25  30.0  3
 C9V  Var_265   H66   C77  C78  C79     58.52  30.0  3
 C9V  Var_266   H67   C78  C79  C80    -55.38  30.0  3
 C9V  Var_267   H68   C78  C79  C80     60.13  30.0  3
 C9V  Var_268   H76   C85  C84  C82    164.93  30.0  3
 C9V  Var_269   H77   C85  C84  C82     50.52  30.0  3
 C9V  Var_270   H78   C86  C85  C84     71.37  30.0  3
 C9V  Var_271   H79   C86  C85  C84    -44.97  30.0  3
 C9V  Var_272   H74   C84  C85  C86     48.63  30.0  3
 C9V  Var_273   H75   C84  C85  C86    163.01  30.0  3
 C9V  Var_274   H4    C18  C19  O20     22.37  30.0  3
 C9V  Var_275   H5    C18  C19  O20    144.68  30.0  3
 C9V  Var_276   H6    C18  C19  O20    -96.15  30.0  3
 C9V  Var_277   H4    C18  C19  O21   -156.77  30.0  3
 C9V  Var_278   H5    C18  C19  O21    -34.46  30.0  3
 C9V  Var_279   H6    C18  C19  O21     84.72  30.0  3
 C9V  Var_280   H10   C24  O25  P26    107.99  30.0  1
 C9V  Var_281   H11   C24  O25  P26    -10.85  30.0  1
 C9V  Var_282   H82   C30  O29  P26     25.60  30.0  3
 C9V  Var_283   H83   C30  O29  P26    -93.56  30.0  3
 C9V  Var_284   H13   C32  O33  P34    -53.91  30.0  2
 C9V  Var_285   H14   C32  O33  P34   -171.15  30.0  2
 C9V  Var_286   H15   C38  O37  P34    121.23  30.0  3
 C9V  Var_287   H16   C38  O37  P34      2.31  30.0  3
 C9V  Var_288   H20   C44  C42  O41     52.66  30.0  2
 C9V  Var_289   H21   C44  C42  O41    -61.07  30.0  2
 C9V  Var_290   H20   C44  C42  O43   -128.30  30.0  2
 C9V  Var_291   H21   C44  C42  O43    117.98  30.0  2
 C9V  Var_292   H89   C50  C49  C48    -55.37  30.0  2
 C9V  Var_293   H90   C50  C49  C48   -171.49  30.0  2
 C9V  Var_294   H24   C46  C47  C48     52.37  30.0  3
 C9V  Var_295   H25   C46  C47  C48    167.22  30.0  3
 C9V  Var_296   H28   C51  C50  C49     50.75  30.0  3
 C9V  Var_297   H26   C47  C48  C49     62.24  30.0  3
 C9V  Var_298   H27   C47  C48  C49    176.79  30.0  3
 C9V  Var_299   H85   C48  C49  C50    -44.02  30.0  3
 C9V  Var_300   H86   C48  C49  C50     71.85  30.0  3
 C9V  Var_301   H47   C64  C62  O61     12.74  30.0  3
 C9V  Var_302   H48   C64  C62  O61    130.44  30.0  3
 C9V  Var_303   H47   C64  C62  O63   -167.66  30.0  3
 C9V  Var_304   H48   C64  C62  O63    -49.96  30.0  3
 C9V  Var_305   H95   C70  C69  C68     51.57  30.0  1
 C9V  Var_306   H96   C70  C69  C68    -64.96  30.0  1
 C9V  Var_307   H51   C66  C67  C68    166.09  30.0  2
 C9V  Var_308   H52   C66  C67  C68     50.46  30.0  2
 C9V  Var_309   H55   C71  C70  C69    -59.75  30.0  1
 C9V  Var_310   H53   C67  C68  C69     30.40  30.0  3
 C9V  Var_311   H54   C67  C68  C69    145.41  30.0  3
 C9V  Var_312   H91   C68  C69  C70   -176.60  30.0  3
 C9V  Var_313   H92   C68  C69  C70    -62.59  30.0  3
 C9V  Var_314   H74   C84  C82  O81     58.91  30.0  3
 C9V  Var_315   H75   C84  C82  O81    -55.16  30.0  3
 C9V  Var_316   H74   C84  C82  O83   -120.84  30.0  3
 C9V  Var_317   H75   C84  C82  O83    125.10  30.0  3
 C9V  Var_318   H112  CAA  CA9  CA8     66.83  30.0  2
 C9V  Var_319   H113  CAA  CA9  CA8    -49.26  30.0  2
 C9V  Var_320   H114  CAB  CAA  CA9     71.86  30.0  2
 C9V  Var_321   H115  CAB  CAA  CA9    -43.98  30.0  2
 C9V  Var_322   H116  CAC  CAB  CAA     65.64  30.0  2
 C9V  Var_323   H117  CAC  CAB  CAA    -49.03  30.0  2
 C9V  Var_324   H108  CA8  CA9  CAA     67.90  30.0  3
 C9V  Var_325   H109  CA8  CA9  CAA   -174.47  30.0  3
 C9V  Var_326   H118  CAD  CAC  CAB   -178.22  30.0  1
 C9V  Var_327   H119  CAD  CAC  CAB     67.12  30.0  1
 C9V  Var_328   H110  CA9  CAA  CAB    -51.52  30.0  3
 C9V  Var_329   H111  CA9  CAA  CAB     64.56  30.0  3
 C9V  Var_330   H120  CAE  CAD  CAC    -34.42  30.0  2
 C9V  Var_331   H121  CAE  CAD  CAC   -149.93  30.0  2
 C9V  Var_332   H112  CAA  CAB  CAC    -43.80  30.0  3
 C9V  Var_333   H113  CAA  CAB  CAC     71.54  30.0  3
 C9V  Var_334   H122  CAF  CAE  CAD     52.64  30.0  2
 C9V  Var_335   H114  CAB  CAC  CAD    -49.52  30.0  3
 C9V  Var_336   H115  CAB  CAC  CAD     66.82  30.0  3
 C9V  Var_337   H116  CAC  CAD  CAE     66.14  30.0  3
 C9V  Var_338   H117  CAC  CAD  CAE   -179.36  30.0  3
 C9V  Var_339   H124  CAH  CAG  CAF      1.14  30.0  1
 C9V  Var_340   H80   CAH  CAG  CAF    117.12  30.0  1
 C9V  Var_341   H118  CAD  CAE  CAF   -148.35  30.0  3
 C9V  Var_342   H119  CAD  CAE  CAF    -33.34  30.0  3
 C9V  Var_343   H125  CAI  CAH  CAG    -61.14  30.0  3
 C9V  Var_344   H126  CAI  CAH  CAG     54.85  30.0  3
 C9V  Var_345   H120  CAE  CAF  CAG     -4.44  30.0  3
 C9V  Var_346   H121  CAE  CAF  CAG    110.82  30.0  3
 C9V  Var_347   H128  CAJ  CAI  CAH    -60.43  30.0  1
 C9V  Var_348   H127  CAJ  CAI  CAH     54.51  30.0  1
 C9V  Var_349   H123  CAG  CAH  CAI     58.36  30.0  3
 C9V  Var_350   H129  CAK  CAJ  CAI     53.33  30.0  3
 C9V  Var_351   H136  CAK  CAJ  CAI    168.55  30.0  3
 C9V  Var_352   H124  CAH  CAI  CAJ     53.37  30.0  1
 C9V  Var_353   H80   CAH  CAI  CAJ    -61.91  30.0  1
 C9V  Var_354   H137  CAL  CAK  CAJ    -52.21  30.0  3
 C9V  Var_355   H130  CAL  CAK  CAJ     63.28  30.0  3
 C9V  Var_356   H125  CAI  CAJ  CAK     55.66  30.0  3
 C9V  Var_357   H126  CAI  CAJ  CAK    -60.99  30.0  3
 C9V  Var_358   H131  CAM  CAL  CAK     56.32  30.0  3
 C9V  Var_359   H138  CAM  CAL  CAK    171.73  30.0  3
 C9V  Var_360   H128  CAJ  CAK  CAL    167.91  30.0  2
 C9V  Var_361   H127  CAJ  CAK  CAL     52.65  30.0  2
 C9V  Var_362   H135  CAN  CAM  CAL    -56.71  30.0  3
 C9V  Var_363   H132  CAN  CAM  CAL     59.14  30.0  3
 C9V  Var_364   H129  CAK  CAL  CAM     63.27  30.0  1
 C9V  Var_365   H136  CAK  CAL  CAM    -52.53  30.0  1
 C9V  Var_366   H134  CAO  CAN  CAM    177.09  30.0  3
 C9V  Var_367   H133  CAO  CAN  CAM    -63.13  30.0  3
 C9V  Var_368   H139  CAO  CAN  CAM     56.77  30.0  3
 C9V  Var_369   H137  CAL  CAM  CAN    172.46  30.0  1
 C9V  Var_370   H130  CAL  CAM  CAN     57.29  30.0  1
 C9V  Var_371   H131  CAM  CAN  CAO     58.31  30.0  2
 C9V  Var_372   H138  CAM  CAN  CAO    -56.92  30.0  2
 C9V  Var_373   H29   C52  C51  H28    179.65   0.0  2
 C9V  Var_374   H56   C72  C71  H55    179.01   0.0  2
 C9V  Var_375   H123  CAG  CAF  H122   179.87   0.0  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
 C9V  chir_01  C23  OA5  C22  C24  negativ
 C9V  chir_02  C31  O81  C30  C32  positiv
 C9V  chir_03  C39  O61  C40  C38  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
 C9V  plan-1   C42   0.020
 C9V  plan-1   C44   0.020
 C9V  plan-1   O41   0.020
 C9V  plan-1   O43   0.020
 C9V  plan-2   C71   0.020
 C9V  plan-2   C72   0.020
 C9V  plan-2   C73   0.020
 C9V  plan-2   C70   0.020
 C9V  plan-2   H55   0.020
 C9V  plan-2   H56   0.020
 C9V  plan-3   C64   0.020
 C9V  plan-3   O61   0.020
 C9V  plan-3   O63   0.020
 C9V  plan-3   C62   0.020
 C9V  plan-4   CA4   0.020
 C9V  plan-4   B95   0.020
 C9V  plan-4   N98   0.020
 C9V  plan-4   C99   0.020
 C9V  plan-4   CA0   0.020
 C9V  plan-4   CA1   0.020
 C9V  plan-5   C87   0.020
 C9V  plan-5   C88   0.020
 C9V  plan-5   C89   0.020
 C9V  plan-5   C90   0.020
 C9V  plan-5   C91   0.020
 C9V  plan-5   C92   0.020
 C9V  plan-5   C93   0.020
 C9V  plan-5   N94   0.020
 C9V  plan-5   B95   0.020
 C9V  plan-5   H100  0.020
 C9V  plan-6   CAE   0.020
 C9V  plan-6   CAF   0.020
 C9V  plan-6   CAG   0.020
 C9V  plan-6   CAH   0.020
 C9V  plan-6   H122  0.020
 C9V  plan-6   H123  0.020
 C9V  plan-7   C51   0.020
 C9V  plan-7   C52   0.020
 C9V  plan-7   C53   0.020
 C9V  plan-7   C50   0.020
 C9V  plan-7   H28   0.020
 C9V  plan-7   H29   0.020
 C9V  plan-8   C18   0.020
 C9V  plan-8   C19   0.020
 C9V  plan-8   O20   0.020
 C9V  plan-8   O21   0.020
 C9V  plan-9   OA5   0.020
 C9V  plan-9   OA7   0.020
 C9V  plan-9   CA8   0.020
 C9V  plan-9   CA6   0.020
 C9V  plan-10  CA2   0.020
 C9V  plan-10  CA4   0.020
 C9V  plan-10  C86   0.020
 C9V  plan-10  C87   0.020
 C9V  plan-10  C88   0.020
 C9V  plan-10  N98   0.020
 C9V  plan-11  C82   0.020
 C9V  plan-11  C84   0.020
 C9V  plan-11  O81   0.020
 C9V  plan-11  O83   0.020

