# generated using pymatgen
data_H2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.82121680
_cell_length_b   21.18046407
_cell_length_c   48.65684572
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   61.77855355
_symmetry_Int_Tables_number   1
_chemical_formula_structural   H2
_chemical_formula_sum   H720
_cell_volume   15274.7847398
_cell_formula_units_Z   360
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
  H  H1  1  0.704357  0.424856  0.254844  1
  H  H2  1  0.625527  0.374847  0.278199  1
  H  H3  1  0.440741  0.403474  0.267768  1
  H  H4  1  0.594092  0.318878  0.314130  1
  H  H5  1  0.299804  0.383128  0.276744  1
  H  H6  1  0.691507  0.963115  0.257654  1
  H  H7  1  1.010992  0.522005  0.258499  1
  H  H8  1  0.258605  0.331171  0.310517  1
  H  H9  1  0.652012  0.889460  0.281960  1
  H  H10  1  0.990594  0.391421  0.277711  1
  H  H11  1  0.375463  0.928528  0.254944  1
  H  H12  1  0.593281  0.829899  0.308377  1
  H  H13  1  0.929119  0.330045  0.306438  1
  H  H14  1  0.300476  0.882536  0.279395  1
  H  H15  1  0.975835  0.020527  0.254926  1
  H  H16  1  0.262626  0.822555  0.309974  1
  H  H17  1  0.995529  0.885541  0.274739  1
  H  H18  1  0.934548  0.832870  0.308247  1
  H  H19  1  0.709654  0.459428  0.298393  1
  H  H20  1  0.649340  0.401575  0.323017  1
  H  H21  1  0.369327  0.504507  0.332032  1
  H  H22  1  0.754308  0.038296  0.265323  1
  H  H23  1  0.320806  0.406177  0.327846  1
  H  H24  1  0.711645  -0.029174  0.304117  1
  H  H25  1  1.038646  0.465840  0.300596  1
  H  H26  1  0.408635  0.024877  0.270756  1
  H  H27  1  0.656587  0.904102  0.327782  1
  H  H28  1  0.989116  0.402372  0.326566  1
  H  H29  1  0.376666  0.957367  0.301436  1
  H  H30  1  0.749658  0.521530  0.266927  1
  H  H31  1  1.106114  0.022287  0.268245  1
  H  H32  1  0.322288  0.896807  0.326975  1
  H  H33  1  1.042892  0.963346  0.297605  1
  H  H34  1  0.411926  0.521707  0.270573  1
  H  H35  1  0.995841  0.903984  0.325245  1
  H  H36  1  1.152225  0.517179  0.269277  1
  H  H37  1  0.622844  0.582488  0.295673  1
  H  H38  1  0.576082  0.524092  0.325739  1
  H  H39  1  0.286961  0.589392  0.299004  1
  H  H40  1  0.661680  0.162505  0.267604  1
  H  H41  1  0.224012  0.531351  0.326189  1
  H  H42  1  0.617026  0.087178  0.292646  1
  H  H43  1  0.950520  0.587460  0.298316  1
  H  H44  1  0.318560  0.149312  0.270152  1
  H  H45  1  0.577930  0.029770  0.328999  1
  H  H46  1  0.904811  0.527530  0.326864  1
  H  H47  1  0.287933  0.083582  0.301844  1
  H  H48  1  0.670729  0.647947  0.267239  1
  H  H49  1  1.005370  0.144761  0.266852  1
  H  H50  1  0.240034  0.021473  0.328410  1
  H  H51  1  0.959416  0.083684  0.296693  1
  H  H52  1  0.328636  0.648896  0.267688  1
  H  H53  1  0.906872  0.030764  0.328267  1
  H  H54  1  1.002750  0.643748  0.267842  1
  H  H55  1  0.492043  0.648457  0.324461  1
  H  H56  1  0.566220  0.288570  0.272083  1
  H  H57  1  1.151046  0.652674  0.326506  1
  H  H58  1  0.533541  0.211057  0.297852  1
  H  H59  1  0.242097  0.276081  0.271747  1
  H  H60  1  0.482037  0.150451  0.325834  1
  H  H61  1  0.820141  0.651869  0.325353  1
  H  H62  1  0.199272  0.208816  0.301320  1
  H  H63  1  0.585002  0.776428  0.267526  1
  H  H64  1  0.922367  0.272633  0.266715  1
  H  H65  1  1.154235  0.146536  0.328457  1
  H  H66  1  0.539717  0.708293  0.295195  1
  H  H67  1  0.873681  0.208750  0.294621  1
  H  H68  1  0.245424  0.774764  0.269066  1
  H  H69  1  0.821900  0.152627  0.323698  1
  H  H70  1  0.204441  0.710194  0.299121  1
  H  H71  1  0.917882  0.779492  0.268564  1
  H  H72  1  0.872145  0.712720  0.296604  1
  H  H73  1  0.408549  0.773156  0.324679  1
  H  H74  1  0.496399  0.439783  0.305738  1
  H  H75  1  1.073019  0.776674  0.327360  1
  H  H76  1  0.445367  0.338040  0.303726  1
  H  H77  1  1.148416  0.402952  0.269397  1
  H  H78  1  0.398535  0.273321  0.328645  1
  H  H79  1  0.739865  0.778707  0.324993  1
  H  H80  1  1.121063  0.335531  0.301629  1
  H  H81  1  0.515137  0.902986  0.270387  1
  H  H82  1  0.851246  0.399585  0.268039  1
  H  H83  1  1.068911  0.274221  0.327543  1
  H  H84  1  0.453107  0.836195  0.294942  1
  H  H85  1  0.785036  0.336268  0.292440  1
  H  H86  1  1.154247  0.899341  0.266850  1
  H  H87  1  0.742630  0.278660  0.324422  1
  H  H88  1  1.124373  0.834364  0.299579  1
  H  H89  1  0.841873  0.914239  0.275472  1
  H  H90  1  0.793141  0.841911  0.298130  1
  H  H91  1  0.460501  0.889344  0.337835  1
  H  H92  1  0.563445  0.500628  0.280296  1
  H  H93  1  1.133854  0.891577  0.337686  1
  H  H94  1  0.513724  0.470038  0.350814  1
  H  H95  1  0.304257  0.482559  0.288213  1
  H  H96  1  0.465447  0.385516  0.343315  1
  H  H97  1  0.793830  0.890514  0.340718  1
  H  H98  1  0.178843  0.454281  0.309160  1
  H  H99  1  0.554782  0.012264  0.281913  1
  H  H100  1  0.890290  0.512872  0.279096  1
  H  H101  1  1.127444  0.398154  0.338791  1
  H  H102  1  0.511005  0.954143  0.312019  1
  H  H103  1  0.844973  0.453823  0.309113  1
  H  H104  1  0.242297  0.010038  0.279687  1
  H  H105  1  0.791642  0.389425  0.335200  1
  H  H106  1  0.180356  0.951918  0.308234  1
  H  H107  1  0.892276  -0.000444  0.285844  1
  H  H108  1  0.847660  0.953937  0.320764  1
  H  H109  1  0.476777  0.628321  0.277879  1
  H  H110  1  0.431267  0.569535  0.310007  1
  H  H111  1  1.150343  0.630766  0.278584  1
  H  H112  1  0.380429  0.536792  0.377589  1
  H  H113  1  1.085065  0.580860  0.307906  1
  H  H114  1  0.465678  0.137381  0.278368  1
  H  H115  1  0.813287  0.638704  0.276671  1
  H  H116  1  1.043577  0.522355  0.339143  1
  H  H117  1  0.425398  0.076924  0.311370  1
  H  H118  1  0.759898  0.579113  0.307459  1
  H  H119  1  1.149002  0.135646  0.278489  1
  H  H120  1  0.377435  0.016156  0.340975  1
  H  H121  1  0.712552  0.516564  0.337733  1
  H  H122  1  1.097066  0.077387  0.308821  1
  H  H123  1  0.817215  0.123977  0.277674  1
  H  H124  1  1.046471  0.017677  0.337487  1
  H  H125  1  0.755497  0.071819  0.309267  1
  H  H126  1  0.719136  0.016467  0.347547  1
  H  H127  1  0.393834  0.757174  0.277551  1
  H  H128  1  0.346033  0.696692  0.308595  1
  H  H129  1  1.067215  0.760747  0.277852  1
  H  H130  1  0.296243  0.636887  0.338300  1
  H  H131  1  1.010975  0.705974  0.307084  1
  H  H132  1  0.390754  0.262659  0.280352  1
  H  H133  1  0.729858  0.765613  0.277318  1
  H  H134  1  0.956950  0.647686  0.336430  1
  H  H135  1  0.336777  0.203232  0.309680  1
  H  H136  1  0.677568  0.705401  0.306762  1
  H  H137  1  1.064526  0.264907  0.278073  1
  H  H138  1  0.293056  0.141064  0.340347  1
  H  H139  1  0.629335  0.641616  0.335408  1
  H  H140  1  1.013134  0.202196  0.306907  1
  H  H141  1  0.725560  0.251540  0.279010  1
  H  H142  1  0.960526  0.141251  0.336254  1
  H  H143  1  0.675832  0.196035  0.310444  1
  H  H144  1  0.621250  0.132506  0.335375  1
  H  H145  1  0.544724  0.766312  0.335023  1
  H  H146  1  0.497299  0.704510  0.364489  1
  H  H147  1  0.213939  0.763599  0.338602  1
  H  H148  1  0.444293  0.646426  0.394389  1
  H  H149  1  0.160501  0.705724  0.366482  1
  H  H150  1  0.541909  0.257848  0.339414  1
  H  H151  1  0.879710  0.771399  0.335586  1
  H  H152  1  1.104830  0.650145  0.394702  1
  H  H153  1  0.487629  0.201238  0.366719  1
  H  H154  1  0.826627  0.710330  0.364255  1
  H  H155  1  0.208673  0.270114  0.338647  1
  H  H156  1  0.447171  0.144080  0.398650  1
  H  H157  1  0.778661  0.648534  0.394536  1
  H  H158  1  0.161256  0.207239  0.366460  1
  H  H159  1  0.881339  0.266727  0.334194  1
  H  H160  1  1.108042  0.146784  0.395447  1
  H  H161  1  0.829223  0.206674  0.364138  1
  H  H162  1  0.771743  0.149933  0.393583  1
  H  H163  1  0.555314  0.782569  0.381663  1
  H  H164  1  0.503929  0.727138  0.410184  1
  H  H165  1  0.222234  0.781887  0.384843  1
  H  H166  1  0.608328  0.350277  0.357714  1
  H  H167  1  0.163803  0.729184  0.412753  1
  H  H168  1  0.550487  0.292216  0.383224  1
  H  H169  1  0.885369  0.792314  0.381868  1
  H  H170  1  0.269074  0.343200  0.357190  1
  H  H171  1  0.498667  0.233963  0.410795  1
  H  H172  1  0.832477  0.734841  0.410143  1
  H  H173  1  0.216347  0.283917  0.385502  1
  H  H174  1  0.604882  0.842820  0.354574  1
  H  H175  1  0.937457  0.342782  0.353575  1
  H  H176  1  0.165953  0.225734  0.413259  1
  H  H177  1  0.892088  0.282899  0.381257  1
  H  H178  1  0.273878  0.839251  0.356661  1
  H  H179  1  0.831837  0.236403  0.409580  1
  H  H180  1  0.938116  0.853697  0.355158  1
  H  H181  1  0.470324  0.909347  0.383493  1
  H  H182  1  0.419560  0.852936  0.411025  1
  H  H183  1  1.141640  0.906885  0.385558  1
  H  H184  1  0.518486  0.519925  0.392989  1
  H  H185  1  1.088901  0.854551  0.414744  1
  H  H186  1  0.476625  0.418993  0.388637  1
  H  H187  1  0.805239  0.920273  0.385050  1
  H  H188  1  0.189492  0.469449  0.357759  1
  H  H189  1  0.415228  0.359459  0.412261  1
  H  H190  1  0.749109  0.862530  0.410796  1
  H  H191  1  1.134907  0.411318  0.385775  1
  H  H192  1  0.523502  -0.031317  0.357117  1
  H  H193  1  0.856591  0.467660  0.355048  1
  H  H194  1  1.079682  0.354267  0.412606  1
  H  H195  1  0.803839  0.409584  0.381337  1
  H  H196  1  0.188632  0.964467  0.356610  1
  H  H197  1  0.756818  0.359380  0.411860  1
  H  H198  1  0.861466  -0.013765  0.365478  1
  H  H199  1  0.324192  -0.026042  0.415314  1
  H  H200  1  0.440760  0.593685  0.354117  1
  H  H201  1  1.090556  -0.033314  0.425742  1
  H  H202  1  0.387715  0.584866  0.420037  1
  H  H203  1  1.098450  0.595743  0.355507  1
  H  H204  1  0.351508  0.484909  0.415865  1
  H  H205  1  0.673967  -0.012193  0.412574  1
  H  H206  1  1.056631  0.536824  0.386317  1
  H  H207  1  0.441221  0.091032  0.358322  1
  H  H208  1  0.772590  0.590638  0.355229  1
  H  H209  1  0.999725  0.480673  0.413668  1
  H  H210  1  0.385092  0.031412  0.387210  1
  H  H211  1  0.718873  0.529992  0.384685  1
  H  H212  1  1.103722  0.087401  0.356781  1
  H  H213  1  0.792270  0.461318  0.425202  1
  H  H214  1  1.044848  0.032652  0.385743  1
  H  H215  1  0.763639  0.102996  0.352869  1
  H  H216  1  0.740100  0.050910  0.393476  1
  H  H217  1  0.249363  0.098393  0.414848  1
  H  H218  1  0.358588  0.716667  0.354576  1
  H  H219  1  0.905934  0.116287  0.413409  1
  H  H220  1  0.304946  0.660298  0.382532  1
  H  H221  1  1.018481  0.721317  0.354752  1
  H  H222  1  0.247364  0.607372  0.409592  1
  H  H223  1  0.600041  0.112967  0.413818  1
  H  H224  1  0.966952  0.663122  0.383336  1
  H  H225  1  0.349143  0.214715  0.357316  1
  H  H226  1  0.689204  0.716705  0.353592  1
  H  H227  1  0.921251  0.605954  0.413145  1
  H  H228  1  0.304166  0.155499  0.387009  1
  H  H229  1  0.641041  0.656065  0.382754  1
  H  H230  1  1.022467  0.213021  0.354743  1
  H  H231  1  0.584894  0.601586  0.411475  1
  H  H232  1  0.970646  0.156735  0.383237  1
  H  H233  1  0.686477  0.227416  0.353879  1
  H  H234  1  0.631196  0.167891  0.378927  1
  H  H235  1  0.302239  0.216539  0.425597  1
  H  H236  1  0.411211  0.828056  0.365875  1
  H  H237  1  0.972397  0.217674  0.421984  1
  H  H238  1  0.360336  0.769545  0.396183  1
  H  H239  1  1.082513  0.831998  0.366596  1
  H  H240  1  0.304294  0.708972  0.423830  1
  H  H241  1  0.644049  0.203478  0.422737  1
  H  H242  1  1.026135  0.775848  0.394114  1
  H  H243  1  0.408116  0.328247  0.367704  1
  H  H244  1  0.742142  0.831358  0.366530  1
  H  H245  1  0.971230  0.720396  0.422374  1
  H  H246  1  0.355526  0.271595  0.396213  1
  H  H247  1  0.691757  0.772047  0.393940  1
  H  H248  1  1.076324  0.336467  0.365228  1
  H  H249  1  0.640514  0.714418  0.422610  1
  H  H250  1  1.028428  0.274749  0.392937  1
  H  H251  1  0.748275  0.329239  0.366358  1
  H  H252  1  0.690992  0.271819  0.395992  1
  H  H253  1  0.325820  0.953490  0.368236  1
  H  H254  1  0.275918  0.894089  0.397555  1
  H  H255  1  1.005872  0.953231  0.365867  1
  H  H256  1  0.225868  0.833243  0.425599  1
  H  H257  1  0.952354  0.896340  0.397020  1
  H  H258  1  0.331325  0.453745  0.369890  1
  H  H259  1  0.661406  0.954508  0.369184  1
  H  H260  1  0.889961  0.843865  0.423091  1
  H  H261  1  0.273695  0.398319  0.397405  1
  H  H262  1  0.607896  0.896310  0.395744  1
  H  H263  1  0.993408  0.462114  0.366549  1
  H  H264  1  0.215554  0.343322  0.425040  1
  H  H265  1  0.555524  0.838457  0.422323  1
  H  H266  1  0.941332  0.401697  0.393370  1
  H  H267  1  0.656180  0.453603  0.365791  1
  H  H268  1  0.894993  0.341065  0.420930  1
  H  H269  1  0.616590  0.393891  0.399449  1
  H  H270  1  0.556487  0.333736  0.425717  1
  H  H271  1  0.240845  0.078688  0.368800  1
  H  H272  1  0.181462  0.017790  0.398584  1
  H  H273  1  0.904481  0.083159  0.367819  1
  H  H274  1  0.242577  0.927426  0.443206  1
  H  H275  1  0.934538  0.004267  0.406875  1
  H  H276  1  0.237580  0.580140  0.365066  1
  H  H277  1  0.583565  0.077692  0.371519  1
  H  H278  1  0.832327  0.963747  0.426540  1
  H  H279  1  0.199419  0.522626  0.398676  1
  H  H280  1  0.525306  0.018777  0.399185  1
  H  H281  1  0.910437  0.585226  0.366674  1
  H  H282  1  1.139562  0.468047  0.426837  1
  H  H283  1  0.462904  0.959501  0.426770  1
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  H  H513  1  1.074889  0.893220  0.525077  1
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  H  H526  1  1.019083  0.450956  0.565831  1
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  H  H575  1  0.331901  0.152942  0.583603  1
  H  H576  1  0.285158  0.089488  0.611537  1
  H  H577  1  0.202954  0.722796  0.614051  1
  H  H578  1  1.152444  0.658535  0.642414  1
  H  H579  1  0.866860  0.718641  0.613020  1
  H  H580  1  1.099376  0.598512  0.672252  1
  H  H581  1  0.816354  0.655652  0.640930  1
  H  H582  1  0.201338  0.215068  0.612294  1
  H  H583  1  0.536543  0.715231  0.610204  1
  H  H584  1  0.765567  0.596279  0.670753  1
  H  H585  1  1.154014  0.151944  0.641194  1
  H  H586  1  0.489508  0.656554  0.640648  1
  H  H587  1  0.866292  0.215386  0.615103  1
  H  H588  1  1.106392  0.091140  0.671310  1
  H  H589  1  0.441749  0.596909  0.671569  1
  H  H590  1  0.813826  0.154590  0.643038  1
  H  H591  1  0.530073  0.219280  0.612241  1
  H  H592  1  0.759906  0.095778  0.672380  1
  H  H593  1  0.481580  0.156731  0.640946  1
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  H  H595  1  1.071580  0.784017  0.640935  1
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  H  H599  1  0.679667  0.723582  0.670407  1
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  H  H606  1  1.116444  0.846439  0.609395  1
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  H  H608  1  0.679230  0.222307  0.672306  1
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  H  H611  1  0.351961  0.221804  0.671101  1
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  H  H618  1  0.985376  0.403572  0.640122  1
  H  H619  1  0.314851  0.903927  0.634327  1
  H  H620  1  0.701343  0.462893  0.610832  1
  H  H621  1  0.943530  0.343962  0.670553  1
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  H  H623  1  0.653155  0.404625  0.641162  1
  H  H624  1  1.026142  -0.031230  0.610893  1
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  H  H627  1  0.317390  0.407632  0.640344  1
  H  H628  1  0.696203  -0.034398  0.611477  1
  H  H629  1  0.268354  0.348304  0.670648  1
  H  H630  1  0.365879  -0.034215  0.608971  1
  H  H631  1  0.986516  0.956839  0.681150  1
  H  H632  1  1.087474  0.587225  0.624645  1
  H  H633  1  0.664100  0.961080  0.679907  1
  H  H634  1  1.037752  0.524357  0.652461  1
  H  H635  1  0.759859  0.584466  0.620608  1
  H  H636  1  0.987949  0.458052  0.680203  1
  H  H637  1  0.312794  0.955250  0.675970  1
  H  H638  1  0.711690  0.523734  0.648331  1
  H  H639  1  1.088141  0.078496  0.623690  1
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  H  H642  1  1.031921  0.021547  0.652152  1
  H  H643  1  0.376245  0.525624  0.653651  1
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  H  H645  1  0.321014  0.461642  0.680660  1
  H  H646  1  0.705047  0.024583  0.649907  1
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  H  H649  1  0.905320  0.083215  0.682091  1
  H  H650  1  1.005021  0.713312  0.624600  1
  H  H651  1  0.580015  0.086238  0.679065  1
  H  H652  1  0.954555  0.651931  0.652486  1
  H  H653  1  0.675263  0.711099  0.620277  1
  H  H654  1  0.910282  0.584541  0.680685  1
  H  H655  1  0.255091  0.080722  0.678628  1
  H  H656  1  0.630044  0.649848  0.647877  1
  H  H657  1  1.006764  0.206572  0.624969  1
  H  H658  1  0.342480  0.710010  0.624526  1
  H  H659  1  0.589715  0.586515  0.678496  1
  H  H660  1  0.956332  0.147553  0.653977  1
  H  H661  1  0.292867  0.651517  0.653725  1
  H  H662  1  0.670112  0.212740  0.623314  1
  H  H663  1  0.245107  0.585946  0.681845  1
  H  H664  1  0.621500  0.151766  0.650064  1
  H  H665  1  0.339390  0.212993  0.621854  1
  H  H666  1  0.294797  0.148865  0.649518  1
  H  H667  1  0.824773  0.210926  0.682373  1
  H  H668  1  0.918912  0.834369  0.623080  1
  H  H669  1  0.498660  0.212723  0.679842  1
  H  H670  1  0.867902  0.777393  0.653749  1
  H  H671  1  0.587484  0.836358  0.620200  1
  H  H672  1  0.823510  0.710875  0.681295  1
  H  H673  1  0.172153  0.207916  0.679651  1
  H  H674  1  0.542495  0.774918  0.647413  1
  H  H675  1  0.923727  0.331480  0.623698  1
  H  H676  1  0.254842  0.831269  0.623019  1
  H  H677  1  0.509776  0.711188  0.679420  1
  H  H678  1  0.873894  0.274954  0.654629  1
  H  H679  1  0.209945  0.776537  0.655368  1
  H  H680  1  0.588559  0.338018  0.622798  1
  H  H681  1  0.161546  0.710979  0.682686  1
  H  H682  1  0.538060  0.278544  0.650582  1
  H  H683  1  0.254355  0.337764  0.622272  1
  H  H684  1  0.210033  0.275789  0.650599  1
  H  H685  1  0.834590  0.959159  0.622824  1
  H  H686  1  0.785227  0.898414  0.650067  1
  H  H687  1  0.504918  0.960242  0.620356  1
  H  H688  1  0.726334  0.835137  0.680020  1
  H  H689  1  0.450616  0.899701  0.646886  1
  H  H690  1  0.841214  0.457215  0.621554  1
  H  H691  1  0.167454  0.952159  0.617678  1
  H  H692  1  0.424503  0.834981  0.679994  1
  H  H693  1  0.792719  0.397948  0.650414  1
  H  H694  1  1.117960  0.896151  0.649586  1
  H  H695  1  0.507370  0.461972  0.622468  1
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  H  H697  1  1.073815  0.833634  0.682364  1
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  H  H700  1  0.412715  0.337671  0.680256  1
  H  H701  1  1.122549  0.400406  0.649979  1
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  H  H715  1  1.144749  0.901418  0.695188  1
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  H  H718  1  0.466587  0.417881  0.697486  1
  H  H719  1  0.183171  0.475217  0.668838  1
  H  H720  1  1.134808  0.414873  0.697344  1
