# generated using pymatgen
data_Ni199H600
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   17.63941962
_cell_length_b   12.19229682
_cell_length_c   18.78880639
_cell_angle_alpha   90.00000000
_cell_angle_beta   116.48846020
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni199H600
_chemical_formula_sum   'Ni199 H600'
_cell_volume   3616.62760709
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni1  1  0.064768  0.187483  0.328361  1
  Ni  Ni2  1  0.070653  0.187483  0.533063  1
  Ni  Ni3  1  0.076444  0.187483  0.738344  1
  Ni  Ni4  1  0.085446  0.187483  0.943548  1
  Ni  Ni5  1  0.057801  0.440847  0.119254  1
  Ni  Ni6  1  0.064468  0.436911  0.326976  1
  Ni  Ni7  1  0.070641  0.437669  0.533052  1
  Ni  Ni8  1  0.076333  0.437876  0.738265  1
  Ni  Ni9  1  0.083854  0.437114  0.945198  1
  Ni  Ni10  1  0.057244  0.687483  0.119086  1
  Ni  Ni11  1  0.064916  0.687483  0.327131  1
  Ni  Ni12  1  0.070777  0.687483  0.532899  1
  Ni  Ni13  1  0.076319  0.687483  0.738411  1
  Ni  Ni14  1  0.083776  0.687483  0.945825  1
  Ni  Ni15  1  0.057801  0.934119  0.119254  1
  Ni  Ni16  1  0.064468  0.938056  0.326976  1
  Ni  Ni17  1  0.070641  0.937298  0.533052  1
  Ni  Ni18  1  0.076333  0.937090  0.738265  1
  Ni  Ni19  1  0.083854  0.937853  0.945198  1
  Ni  Ni20  1  0.286396  0.187483  0.145092  1
  Ni  Ni21  1  0.257149  0.187483  0.321702  1
  Ni  Ni22  1  0.265015  0.187483  0.527398  1
  Ni  Ni23  1  0.271077  0.187483  0.733039  1
  Ni  Ni24  1  0.276905  0.187483  0.938386  1
  Ni  Ni25  1  0.284254  0.437293  0.145723  1
  Ni  Ni26  1  0.256514  0.437602  0.319448  1
  Ni  Ni27  1  0.265000  0.437825  0.527427  1
  Ni  Ni28  1  0.271027  0.437582  0.733064  1
  Ni  Ni29  1  0.276633  0.437742  0.938460  1
  Ni  Ni30  1  0.284097  0.687483  0.145717  1
  Ni  Ni31  1  0.256507  0.687483  0.319270  1
  Ni  Ni32  1  0.264900  0.687483  0.527204  1
  Ni  Ni33  1  0.271006  0.687483  0.733135  1
  Ni  Ni34  1  0.276659  0.687483  0.938659  1
  Ni  Ni35  1  0.284254  0.937673  0.145723  1
  Ni  Ni36  1  0.256514  0.937365  0.319448  1
  Ni  Ni37  1  0.265000  0.937142  0.527427  1
  Ni  Ni38  1  0.271027  0.937385  0.733064  1
  Ni  Ni39  1  0.276633  0.937224  0.938460  1
  Ni  Ni40  1  0.476891  0.187483  0.138607  1
  Ni  Ni41  1  0.482873  0.187483  0.345352  1
  Ni  Ni42  1  0.456689  0.187483  0.519107  1
  Ni  Ni43  1  0.465357  0.187483  0.727154  1
  Ni  Ni44  1  0.471397  0.187483  0.933055  1
  Ni  Ni45  1  0.476759  0.437544  0.138722  1
  Ni  Ni46  1  0.482948  0.437043  0.345311  1
  Ni  Ni47  1  0.456898  0.437726  0.519143  1
  Ni  Ni48  1  0.465391  0.437580  0.727172  1
  Ni  Ni49  1  0.471337  0.437631  0.933075  1
  Ni  Ni50  1  0.476699  0.687483  0.138671  1
  Ni  Ni51  1  0.483328  0.687483  0.345399  1
  Ni  Ni52  1  0.456873  0.687483  0.519010  1
  Ni  Ni53  1  0.465440  0.687483  0.727227  1
  Ni  Ni54  1  0.471306  0.687483  0.933137  1
  Ni  Ni55  1  0.476759  0.937422  0.138722  1
  Ni  Ni56  1  0.482948  0.937923  0.345311  1
  Ni  Ni57  1  0.456898  0.937240  0.519143  1
  Ni  Ni58  1  0.465391  0.937386  0.727172  1
  Ni  Ni59  1  0.471337  0.937335  0.933075  1
  Ni  Ni60  1  0.671209  0.187483  0.132752  1
  Ni  Ni61  1  0.676018  0.187483  0.338441  1
  Ni  Ni62  1  0.683729  0.187483  0.545512  1
  Ni  Ni63  1  0.656728  0.187483  0.718875  1
  Ni  Ni64  1  0.665602  0.187483  0.926865  1
  Ni  Ni65  1  0.671462  0.437442  0.132806  1
  Ni  Ni66  1  0.676180  0.437454  0.338396  1
  Ni  Ni67  1  0.683751  0.437492  0.545472  1
  Ni  Ni68  1  0.656785  0.437707  0.718865  1
  Ni  Ni69  1  0.665698  0.437731  0.926887  1
  Ni  Ni70  1  0.671504  0.687483  0.132715  1
  Ni  Ni71  1  0.676439  0.687483  0.338370  1
  Ni  Ni72  1  0.683763  0.687483  0.545442  1
  Ni  Ni73  1  0.656951  0.687483  0.719080  1
  Ni  Ni74  1  0.665731  0.687483  0.927037  1
  Ni  Ni75  1  0.671462  0.937524  0.132806  1
  Ni  Ni76  1  0.676180  0.937512  0.338396  1
  Ni  Ni77  1  0.683751  0.937475  0.545472  1
  Ni  Ni78  1  0.656785  0.937259  0.718865  1
  Ni  Ni79  1  0.665698  0.937235  0.926887  1
  Ni  Ni80  1  0.862604  0.187483  0.127331  1
  Ni  Ni81  1  0.870425  0.187483  0.333307  1
  Ni  Ni82  1  0.876199  0.187483  0.538637  1
  Ni  Ni83  1  0.883808  0.187483  0.745523  1
  Ni  Ni84  1  0.855756  0.187483  0.918044  1
  Ni  Ni85  1  0.865747  0.437066  0.127517  1
  Ni  Ni86  1  0.870572  0.437669  0.333096  1
  Ni  Ni87  1  0.876174  0.437587  0.538615  1
  Ni  Ni88  1  0.883921  0.437470  0.745770  1
  Ni  Ni89  1  0.857445  0.436578  0.919485  1
  Ni  Ni90  1  0.866394  0.687483  0.127163  1
  Ni  Ni91  1  0.870849  0.687483  0.332832  1
  Ni  Ni92  1  0.876176  0.687483  0.538588  1
  Ni  Ni93  1  0.884036  0.687483  0.746038  1
  Ni  Ni94  1  0.857325  0.687483  0.919726  1
  Ni  Ni95  1  0.865747  0.937901  0.127517  1
  Ni  Ni96  1  0.870572  0.937298  0.333096  1
  Ni  Ni97  1  0.876174  0.937380  0.538615  1
  Ni  Ni98  1  0.883921  0.937497  0.745770  1
  Ni  Ni99  1  0.857445  0.938388  0.919485  1
  Ni  Ni100  1  0.151719  0.061311  0.071225  1
  Ni  Ni101  1  0.123159  0.060893  0.249044  1
  Ni  Ni102  1  0.129421  0.062211  0.453898  1
  Ni  Ni103  1  0.135581  0.062396  0.659429  1
  Ni  Ni104  1  0.141471  0.061845  0.864478  1
  Ni  Ni105  1  0.151719  0.313656  0.071225  1
  Ni  Ni106  1  0.123159  0.314074  0.249044  1
  Ni  Ni107  1  0.129421  0.312756  0.453898  1
  Ni  Ni108  1  0.135581  0.312571  0.659429  1
  Ni  Ni109  1  0.141471  0.313121  0.864478  1
  Ni  Ni110  1  0.149937  0.561971  0.072712  1
  Ni  Ni111  1  0.121965  0.562202  0.247042  1
  Ni  Ni112  1  0.129266  0.562415  0.453489  1
  Ni  Ni113  1  0.135578  0.562637  0.659407  1
  Ni  Ni114  1  0.140807  0.562755  0.864991  1
  Ni  Ni115  1  0.149937  0.812995  0.072712  1
  Ni  Ni116  1  0.121965  0.812765  0.247042  1
  Ni  Ni117  1  0.129266  0.812551  0.453489  1
  Ni  Ni118  1  0.135578  0.812329  0.659407  1
  Ni  Ni119  1  0.140807  0.812211  0.864991  1
  Ni  Ni120  1  0.341312  0.062034  0.064699  1
  Ni  Ni121  1  0.347803  0.063237  0.272836  1
  Ni  Ni122  1  0.322375  0.061886  0.447366  1
  Ni  Ni123  1  0.329736  0.062382  0.653781  1
  Ni  Ni124  1  0.336021  0.062366  0.859439  1
  Ni  Ni125  1  0.341312  0.312932  0.064699  1
  Ni  Ni126  1  0.347803  0.311730  0.272836  1
  Ni  Ni127  1  0.322375  0.313080  0.447366  1
  Ni  Ni128  1  0.329736  0.312585  0.653781  1
  Ni  Ni129  1  0.336021  0.312600  0.859439  1
  Ni  Ni130  1  0.340924  0.562406  0.065181  1
  Ni  Ni131  1  0.348930  0.562323  0.273165  1
  Ni  Ni132  1  0.322275  0.562673  0.446920  1
  Ni  Ni133  1  0.329730  0.562652  0.653815  1
  Ni  Ni134  1  0.335781  0.562551  0.859556  1
  Ni  Ni135  1  0.340924  0.812561  0.065181  1
  Ni  Ni136  1  0.348930  0.812644  0.273165  1
  Ni  Ni137  1  0.322275  0.812293  0.446920  1
  Ni  Ni138  1  0.329730  0.812315  0.653815  1
  Ni  Ni139  1  0.335781  0.812415  0.859556  1
  Ni  Ni140  1  0.535728  0.062341  0.059475  1
  Ni  Ni141  1  0.540353  0.062530  0.265141  1
  Ni  Ni142  1  0.549233  0.062543  0.472996  1
  Ni  Ni143  1  0.522317  0.062405  0.646626  1
  Ni  Ni144  1  0.529872  0.062392  0.853615  1
  Ni  Ni145  1  0.535728  0.312625  0.059475  1
  Ni  Ni146  1  0.540353  0.312436  0.265141  1
  Ni  Ni147  1  0.549233  0.312424  0.472996  1
  Ni  Ni148  1  0.522317  0.312562  0.646626  1
  Ni  Ni149  1  0.529872  0.312574  0.853615  1
  Ni  Ni150  1  0.535864  0.562476  0.059621  1
  Ni  Ni151  1  0.540635  0.562506  0.265227  1
  Ni  Ni152  1  0.549303  0.562403  0.472794  1
  Ni  Ni153  1  0.522358  0.562627  0.646664  1
  Ni  Ni154  1  0.529953  0.562545  0.853701  1
  Ni  Ni155  1  0.535864  0.812491  0.059621  1
  Ni  Ni156  1  0.540635  0.812460  0.265227  1
  Ni  Ni157  1  0.549303  0.812564  0.472794  1
  Ni  Ni158  1  0.522358  0.812339  0.646664  1
  Ni  Ni159  1  0.529953  0.812421  0.853701  1
  Ni  Ni160  1  0.729720  0.062052  0.053156  1
  Ni  Ni161  1  0.735141  0.062531  0.259276  1
  Ni  Ni162  1  0.740589  0.062480  0.464922  1
  Ni  Ni163  1  0.749464  0.062417  0.673057  1
  Ni  Ni164  1  0.722363  0.062175  0.846288  1
  Ni  Ni165  1  0.729720  0.312915  0.053156  1
  Ni  Ni166  1  0.735141  0.312435  0.259276  1
  Ni  Ni167  1  0.740589  0.312486  0.464922  1
  Ni  Ni168  1  0.749464  0.312550  0.673057  1
  Ni  Ni169  1  0.722363  0.312791  0.846288  1
  Ni  Ni170  1  0.730599  0.562428  0.053571  1
  Ni  Ni171  1  0.735302  0.562486  0.259228  1
  Ni  Ni172  1  0.740617  0.562491  0.464859  1
  Ni  Ni173  1  0.749579  0.562573  0.673028  1
  Ni  Ni174  1  0.723049  0.562490  0.846624  1
  Ni  Ni175  1  0.730599  0.812539  0.053571  1
  Ni  Ni176  1  0.735302  0.812481  0.259228  1
  Ni  Ni177  1  0.740617  0.812476  0.464859  1
  Ni  Ni178  1  0.749579  0.812393  0.673028  1
  Ni  Ni179  1  0.723049  0.812476  0.846624  1
  Ni  Ni180  1  0.920099  0.061875  0.046273  1
  Ni  Ni181  1  0.928638  0.062623  0.254074  1
  Ni  Ni182  1  0.935196  0.062355  0.459573  1
  Ni  Ni183  1  0.940760  0.062382  0.665060  1
  Ni  Ni184  1  0.949598  0.062799  0.872671  1
  Ni  Ni185  1  0.920099  0.313091  0.046273  1
  Ni  Ni186  1  0.928638  0.312344  0.254074  1
  Ni  Ni187  1  0.935196  0.312611  0.459573  1
  Ni  Ni188  1  0.940760  0.312585  0.665060  1
  Ni  Ni189  1  0.949598  0.312168  0.872671  1
  Ni  Ni190  1  0.922754  0.561481  0.046834  1
  Ni  Ni191  1  0.929553  0.562230  0.253539  1
  Ni  Ni192  1  0.935165  0.562636  0.459440  1
  Ni  Ni193  1  0.940545  0.562611  0.665114  1
  Ni  Ni194  1  0.949601  0.562170  0.873540  1
  Ni  Ni195  1  0.922754  0.813486  0.046834  1
  Ni  Ni196  1  0.929553  0.812736  0.253539  1
  Ni  Ni197  1  0.935165  0.812330  0.459440  1
  Ni  Ni198  1  0.940545  0.812356  0.665114  1
  Ni  Ni199  1  0.949601  0.812797  0.873540  1
  H  H200  1  0.041135  0.055361  0.067402  1
  H  H201  1  0.035655  0.064665  0.267341  1
  H  H202  1  0.041340  0.062343  0.474769  1
  H  H203  1  0.047047  0.062401  0.680009  1
  H  H204  1  0.054112  0.062549  0.888131  1
  H  H205  1  0.041135  0.319605  0.067402  1
  H  H206  1  0.035655  0.310301  0.267341  1
  H  H207  1  0.041340  0.312624  0.474769  1
  H  H208  1  0.047047  0.312566  0.680009  1
  H  H209  1  0.054112  0.312417  0.888131  1
  H  H210  1  0.039301  0.562073  0.067189  1
  H  H211  1  0.035206  0.562133  0.268584  1
  H  H212  1  0.041286  0.562573  0.474613  1
  H  H213  1  0.046983  0.562659  0.680043  1
  H  H214  1  0.053706  0.562586  0.888005  1
  H  H215  1  0.039301  0.812893  0.067189  1
  H  H216  1  0.035206  0.812833  0.268584  1
  H  H217  1  0.041286  0.812394  0.474613  1
  H  H218  1  0.046983  0.812307  0.680043  1
  H  H219  1  0.053706  0.812381  0.888005  1
  H  H220  1  0.254883  0.061787  0.087692  1
  H  H221  1  0.236102  0.064297  0.266870  1
  H  H222  1  0.235553  0.062281  0.469217  1
  H  H223  1  0.241727  0.062450  0.674721  1
  H  H224  1  0.247765  0.062130  0.879857  1
  H  H225  1  0.254883  0.313179  0.087692  1
  H  H226  1  0.236102  0.310670  0.266870  1
  H  H227  1  0.235553  0.312686  0.469217  1
  H  H228  1  0.241727  0.312517  0.674721  1
  H  H229  1  0.247765  0.312837  0.879857  1
  H  H230  1  0.254334  0.562580  0.088230  1
  H  H231  1  0.238228  0.562549  0.267422  1
  H  H232  1  0.235380  0.562578  0.468816  1
  H  H233  1  0.241732  0.562542  0.674776  1
  H  H234  1  0.247378  0.562814  0.880245  1
  H  H235  1  0.254334  0.812387  0.088230  1
  H  H236  1  0.238228  0.812417  0.267422  1
  H  H237  1  0.235380  0.812388  0.468816  1
  H  H238  1  0.241732  0.812425  0.674776  1
  H  H239  1  0.247378  0.812153  0.880245  1
  H  H240  1  0.447733  0.062130  0.080189  1
  H  H241  1  0.452798  0.062767  0.287987  1
  H  H242  1  0.438536  0.062319  0.467441  1
  H  H243  1  0.435709  0.062440  0.668759  1
  H  H244  1  0.442095  0.062364  0.874713  1
  H  H245  1  0.447733  0.312837  0.080189  1
  H  H246  1  0.452798  0.312199  0.287987  1
  H  H247  1  0.438536  0.312648  0.467441  1
  H  H248  1  0.435709  0.312527  0.668759  1
  H  H249  1  0.442095  0.312603  0.874713  1
  H  H250  1  0.447538  0.562665  0.080404  1
  H  H251  1  0.453246  0.562103  0.287992  1
  H  H252  1  0.438648  0.562583  0.467278  1
  H  H253  1  0.435729  0.562548  0.668791  1
  H  H254  1  0.442027  0.562619  0.874816  1
  H  H255  1  0.447538  0.812301  0.080404  1
  H  H256  1  0.453246  0.812864  0.287992  1
  H  H257  1  0.438648  0.812384  0.467278  1
  H  H258  1  0.435729  0.812419  0.668791  1
  H  H259  1  0.442027  0.812348  0.874816  1
  H  H260  1  0.641697  0.062147  0.074348  1
  H  H261  1  0.646670  0.062461  0.280111  1
  H  H262  1  0.653618  0.062523  0.487940  1
  H  H263  1  0.638647  0.062425  0.667131  1
  H  H264  1  0.635718  0.062295  0.868387  1
  H  H265  1  0.641697  0.312820  0.074348  1
  H  H266  1  0.646670  0.312505  0.280111  1
  H  H267  1  0.653618  0.312443  0.487940  1
  H  H268  1  0.638647  0.312542  0.667131  1
  H  H269  1  0.635718  0.312672  0.868387  1
  H  H270  1  0.642228  0.562676  0.074563  1
  H  H271  1  0.646868  0.562487  0.280070  1
  H  H272  1  0.653656  0.562445  0.487853  1
  H  H273  1  0.638695  0.562626  0.667169  1
  H  H274  1  0.636077  0.562697  0.868615  1
  H  H275  1  0.642228  0.812291  0.074563  1
  H  H276  1  0.646868  0.812479  0.280070  1
  H  H277  1  0.653656  0.812521  0.487853  1
  H  H278  1  0.638695  0.812341  0.667169  1
  H  H279  1  0.636077  0.812270  0.868615  1
  H  H280  1  0.836409  0.062808  0.069383  1
  H  H281  1  0.840971  0.062411  0.274877  1
  H  H282  1  0.846913  0.062445  0.480268  1
  H  H283  1  0.853840  0.062389  0.688029  1
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  H  H628  1  0.359446  0.437659  0.629413  1
  H  H629  1  0.365878  0.437641  0.835326  1
  H  H630  1  0.371423  0.687483  0.041017  1
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  H  H635  1  0.371639  0.937024  0.040766  1
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  H  H637  1  0.351569  0.937078  0.421844  1
  H  H638  1  0.359446  0.937308  0.629413  1
  H  H639  1  0.365878  0.937326  0.835326  1
  H  H640  1  0.565826  0.187483  0.035256  1
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  H  H646  1  0.571109  0.437484  0.241139  1
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  H  H649  1  0.559666  0.437658  0.829191  1
  H  H650  1  0.565899  0.687483  0.035295  1
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  H  H652  1  0.580050  0.687483  0.449912  1
  H  H653  1  0.551530  0.687483  0.621413  1
  H  H654  1  0.559754  0.687483  0.829297  1
  H  H655  1  0.565867  0.937356  0.035268  1
  H  H656  1  0.571109  0.937482  0.241139  1
  H  H657  1  0.579995  0.937689  0.449981  1
  H  H658  1  0.551455  0.937278  0.621372  1
  H  H659  1  0.559666  0.937308  0.829191  1
  H  H660  1  0.759385  0.187483  0.029236  1
  H  H661  1  0.765425  0.187483  0.235502  1
  H  H662  1  0.770983  0.187483  0.440858  1
  H  H663  1  0.780261  0.187483  0.650091  1
  H  H664  1  0.751321  0.187483  0.820943  1
  H  H665  1  0.759838  0.437590  0.029048  1
  H  H666  1  0.765541  0.437537  0.235341  1
  H  H667  1  0.771026  0.437438  0.440812  1
  H  H668  1  0.780360  0.437554  0.650195  1
  H  H669  1  0.751645  0.437576  0.821062  1
  H  H670  1  0.760181  0.687483  0.029159  1
  H  H671  1  0.765622  0.687483  0.235113  1
  H  H672  1  0.771103  0.687483  0.440767  1
  H  H673  1  0.780449  0.687483  0.650323  1
  H  H674  1  0.752047  0.687483  0.821636  1
  H  H675  1  0.759838  0.937376  0.029048  1
  H  H676  1  0.765541  0.937430  0.235341  1
  H  H677  1  0.771026  0.937528  0.440812  1
  H  H678  1  0.780360  0.937412  0.650195  1
  H  H679  1  0.751645  0.937390  0.821062  1
  H  H680  1  0.942181  0.187483  0.015328  1
  H  H681  1  0.959073  0.187483  0.228045  1
  H  H682  1  0.965194  0.187483  0.435463  1
  H  H683  1  0.971137  0.187483  0.640910  1
  H  H684  1  0.980640  0.187483  0.850256  1
  H  H685  1  0.951572  0.435437  0.021794  1
  H  H686  1  0.959524  0.436525  0.229252  1
  H  H687  1  0.965239  0.437646  0.435410  1
  H  H688  1  0.971039  0.437664  0.640861  1
  H  H689  1  0.980684  0.436947  0.850708  1
  H  H690  1  0.951581  0.687483  0.021478  1
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  H  H697  1  0.965239  0.937321  0.435410  1
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  H  H719  1  0.087414  0.937195  0.842860  1
  H  H720  1  0.288430  0.187483  0.043567  1
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  H  H737  1  0.268063  0.937031  0.426679  1
  H  H738  1  0.275942  0.937289  0.632439  1
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  H  H740  1  0.482198  0.187483  0.037990  1
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  H  H765  1  0.676217  0.437946  0.031966  1
  H  H766  1  0.681568  0.437497  0.237491  1
  H  H767  1  0.687177  0.437504  0.443135  1
  H  H768  1  0.689395  0.437599  0.641317  1
  H  H769  1  0.668294  0.437882  0.825978  1
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  H  H779  1  0.668294  0.937085  0.825978  1
  H  H780  1  0.867476  0.187483  0.027138  1
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  H  H785  1  0.868614  0.436496  0.026921  1
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  H  H787  1  0.881450  0.437694  0.437910  1
  H  H788  1  0.887311  0.437588  0.643448  1
  H  H789  1  0.889841  0.436865  0.842013  1
  H  H790  1  0.868711  0.687483  0.026535  1
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  H  H794  1  0.889634  0.687483  0.842015  1
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  H  H796  1  0.875826  0.937829  0.231932  1
  H  H797  1  0.881450  0.937272  0.437910  1
  H  H798  1  0.887311  0.937378  0.643448  1
  H  H799  1  0.889841  0.938101  0.842013  1
