data_image0
_chemical_formula_structural       O6Ti6O12Ti6O12Ti6O12Ti6O12Ti6O12Ti6O7H2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2OH2
_chemical_formula_sum              "O230 Ti36 H316"
_cell_length_a       10.299
_cell_length_b       50
_cell_length_c       11.355
_cell_angle_alpha    90
_cell_angle_beta     90
_cell_angle_gamma    90

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
O1     O       1.0  0.91931  0.40000  0.08314  1.0000
O2     O       1.0  0.91931  0.40000  0.74981  1.0000
O3     O       1.0  0.91931  0.40000  0.41647  1.0000
O4     O       1.0  0.41936  0.40000  0.91642  1.0000
O5     O       1.0  0.41936  0.40000  0.58310  1.0000
O6     O       1.0  0.41936  0.40000  0.24976  1.0000
Ti1    Ti      1.0  0.73890  0.41468  0.08314  1.0000
Ti2    Ti      1.0  0.73890  0.41468  0.74981  1.0000
Ti3    Ti      1.0  0.73890  0.41468  0.41647  1.0000
Ti4    Ti      1.0  0.23895  0.41470  0.91642  1.0000
Ti5    Ti      1.0  0.23895  0.41470  0.58310  1.0000
Ti6    Ti      1.0  0.23895  0.41470  0.24976  1.0000
O7     O       1.0  0.70327  0.41758  0.91642  1.0000
O8     O       1.0  0.70327  0.41758  0.58310  1.0000
O9     O       1.0  0.70327  0.41758  0.24976  1.0000
O10    O       1.0  0.20312  0.41762  0.08314  1.0000
O11    O       1.0  0.20312  0.41762  0.74981  1.0000
O12    O       1.0  0.20312  0.41762  0.41647  1.0000
O13    O       1.0  0.55850  0.42938  0.08314  1.0000
O14    O       1.0  0.55850  0.42938  0.74981  1.0000
O15    O       1.0  0.55850  0.42938  0.41647  1.0000
O16    O       1.0  0.05845  0.42938  0.91642  1.0000
O17    O       1.0  0.05845  0.42938  0.58310  1.0000
O18    O       1.0  0.05845  0.42938  0.24976  1.0000
Ti7    Ti      1.0  0.52277  0.43228  0.91642  1.0000
Ti8    Ti      1.0  0.52277  0.43228  0.58310  1.0000
Ti9    Ti      1.0  0.52277  0.43228  0.24976  1.0000
Ti10   Ti      1.0  0.02262  0.43230  0.08314  1.0000
Ti11   Ti      1.0  0.02262  0.43230  0.74981  1.0000
Ti12   Ti      1.0  0.02262  0.43230  0.41647  1.0000
O19    O       1.0  0.34226  0.44696  0.91642  1.0000
O20    O       1.0  0.34226  0.44696  0.58310  1.0000
O21    O       1.0  0.34226  0.44696  0.24976  1.0000
O22    O       1.0  0.84212  0.44700  0.08314  1.0000
O23    O       1.0  0.84212  0.44700  0.74981  1.0000
O24    O       1.0  0.84212  0.44700  0.41647  1.0000
O25    O       1.0  0.05276  0.47114  0.08289  1.0000
O26    O       1.0  0.05246  0.47124  0.75036  1.0000
O27    O       1.0  0.05234  0.47115  0.41577  1.0000
O28    O       1.0  0.55225  0.47115  0.91634  1.0000
O29    O       1.0  0.55251  0.47114  0.58381  1.0000
O30    O       1.0  0.55257  0.47114  0.24987  1.0000
Ti13   Ti      1.0  0.87469  0.48685  0.08300  1.0000
Ti14   Ti      1.0  0.87529  0.48687  0.75003  1.0000
Ti15   Ti      1.0  0.87549  0.48682  0.41632  1.0000
Ti16   Ti      1.0  0.37502  0.48679  0.91661  1.0000
Ti17   Ti      1.0  0.37551  0.48689  0.58315  1.0000
Ti18   Ti      1.0  0.37463  0.48686  0.24974  1.0000
O31    O       1.0  0.83850  0.48839  0.91637  1.0000
O32    O       1.0  0.83779  0.48835  0.58313  1.0000
O33    O       1.0  0.83778  0.48834  0.25002  1.0000
O34    O       1.0  0.33776  0.48816  0.08323  1.0000
O35    O       1.0  0.33798  0.48833  0.74997  1.0000
O36    O       1.0  0.33756  0.48817  0.41636  1.0000
O37    O       1.0  0.69415  0.50054  0.08294  1.0000
O38    O       1.0  0.69407  0.50077  0.74998  1.0000
O39    O       1.0  0.69384  0.50073  0.41640  1.0000
O40    O       1.0  0.19447  0.50094  0.91652  1.0000
O41    O       1.0  0.19413  0.50071  0.58322  1.0000
O42    O       1.0  0.19418  0.50082  0.24987  1.0000
Ti19   Ti      1.0  0.65322  0.50214  0.91636  1.0000
Ti20   Ti      1.0  0.65391  0.50207  0.58312  1.0000
Ti21   Ti      1.0  0.65318  0.50202  0.25012  1.0000
Ti22   Ti      1.0  0.15311  0.50211  0.08323  1.0000
Ti23   Ti      1.0  0.15380  0.50219  0.75000  1.0000
Ti24   Ti      1.0  0.15366  0.50211  0.41677  1.0000
O43    O       1.0  0.48121  0.51866  0.91648  1.0000
O44    O       1.0  0.48071  0.51859  0.58243  1.0000
O45    O       1.0  0.48072  0.51861  0.24999  1.0000
O46    O       1.0  0.98111  0.51860  0.08364  1.0000
O47    O       1.0  0.98124  0.51871  0.74955  1.0000
O48    O       1.0  0.98117  0.51863  0.41673  1.0000
O49    O       1.0  0.19946  0.54097  0.08400  1.0000
O50    O       1.0  0.19944  0.54096  0.74937  1.0000
O51    O       1.0  0.19951  0.54088  0.41628  1.0000
O52    O       1.0  0.69967  0.54086  0.91677  1.0000
O53    O       1.0  0.69918  0.54087  0.58413  1.0000
O54    O       1.0  0.69922  0.54084  0.24952  1.0000
Ti25   Ti      1.0  0.01926  0.55974  0.08301  1.0000
Ti26   Ti      1.0  0.01870  0.55974  0.74977  1.0000
Ti27   Ti      1.0  0.01907  0.55968  0.41605  1.0000
Ti28   Ti      1.0  0.51847  0.55965  0.91679  1.0000
Ti29   Ti      1.0  0.51911  0.55972  0.58324  1.0000
Ti30   Ti      1.0  0.51898  0.55967  0.25023  1.0000
O55    O       1.0  0.98122  0.55963  0.91660  1.0000
O56    O       1.0  0.98044  0.55981  0.58312  1.0000
O57    O       1.0  0.98055  0.55959  0.24995  1.0000
O58    O       1.0  0.48045  0.55959  0.08317  1.0000
O59    O       1.0  0.48105  0.55973  0.74968  1.0000
O60    O       1.0  0.48100  0.55968  0.41630  1.0000
O61    O       1.0  0.84069  0.57607  0.08315  1.0000
O62    O       1.0  0.84034  0.57603  0.74999  1.0000
O63    O       1.0  0.84003  0.57589  0.41630  1.0000
O64    O       1.0  0.34031  0.57588  0.91650  1.0000
O65    O       1.0  0.34058  0.57608  0.58288  1.0000
O66    O       1.0  0.34056  0.57605  0.24997  1.0000
Ti31   Ti      1.0  0.78956  0.57135  0.91674  1.0000
Ti32   Ti      1.0  0.79000  0.57131  0.58307  1.0000
Ti33   Ti      1.0  0.78968  0.57132  0.24960  1.0000
Ti34   Ti      1.0  0.28997  0.57140  0.08361  1.0000
Ti35   Ti      1.0  0.28992  0.57140  0.74974  1.0000
Ti36   Ti      1.0  0.28993  0.57137  0.41654  1.0000
O67    O       1.0  0.63318  0.58846  0.91673  1.0000
O68    O       1.0  0.63326  0.58848  0.58245  1.0000
O69    O       1.0  0.63329  0.58849  0.24984  1.0000
O70    O       1.0  0.13314  0.58854  0.08314  1.0000
O71    O       1.0  0.13336  0.58853  0.74992  1.0000
O72    O       1.0  0.13323  0.58848  0.41600  1.0000
O73    O       1.0  0.17553  0.37086  0.67196  1.0000
H1     H       1.0  0.12121  0.36654  0.60438  1.0000
H2     H       1.0  0.25723  0.36187  0.65472  1.0000
O74    O       1.0  0.15409  0.81214  0.88975  1.0000
H3     H       1.0  0.12120  0.83040  0.89096  1.0000
H4     H       1.0  0.12104  0.80497  0.81586  1.0000
O75    O       1.0  0.34406  0.91392  0.16278  1.0000
H5     H       1.0  0.34978  0.92917  0.10965  1.0000
H6     H       1.0  0.33862  0.89864  0.10985  1.0000
O76    O       1.0  0.87877  0.01923  0.54361  1.0000
H7     H       1.0  0.87467  0.01965  0.62928  1.0000
H8     H       1.0  0.78792  0.01925  0.51981  1.0000
O77    O       1.0  0.68059  0.01921  0.76150  1.0000
H9     H       1.0  0.62070  0.02708  0.81808  1.0000
H10    H       1.0  0.63153  0.01920  0.68818  1.0000
O78    O       1.0  0.49376  0.96949  0.39466  1.0000
H11    H       1.0  0.45402  0.96718  0.47182  1.0000
H12    H       1.0  0.50164  0.95128  0.36498  1.0000
O79    O       1.0  0.87871  0.81881  0.82423  1.0000
H13    H       1.0  0.87815  0.83414  0.87711  1.0000
H14    H       1.0  0.87960  0.80352  0.87741  1.0000
O80    O       1.0  0.86544  0.26708  0.38048  1.0000
H15    H       1.0  0.87863  0.24797  0.39199  1.0000
H16    H       1.0  0.87864  0.26953  0.29624  1.0000
O81    O       1.0  0.79910  0.19580  0.89005  1.0000
H17    H       1.0  0.82127  0.21474  0.88982  1.0000
H18    H       1.0  0.87879  0.18711  0.86425  1.0000
O82    O       1.0  0.12157  0.03457  0.83681  1.0000
H19    H       1.0  0.12143  0.01920  0.88951  1.0000
H20    H       1.0  0.12122  0.04982  0.89017  1.0000
O83    O       1.0  0.87897  0.63491  0.40363  1.0000
H21    H       1.0  0.86710  0.62237  0.33892  1.0000
H22    H       1.0  0.87393  0.62366  0.47348  1.0000
O84    O       1.0  0.17805  0.95762  0.56472  1.0000
H23    H       1.0  0.11942  0.96939  0.52180  1.0000
H24    H       1.0  0.24854  0.96941  0.58860  1.0000
O85    O       1.0  0.24131  0.17953  0.64808  1.0000
H25    H       1.0  0.16016  0.17302  0.61465  1.0000
H26    H       1.0  0.29054  0.18538  0.57954  1.0000
O86    O       1.0  0.15155  0.31108  0.10959  1.0000
H27    H       1.0  0.12133  0.29950  0.17287  1.0000
H28    H       1.0  0.12901  0.32896  0.13677  1.0000
O87    O       1.0  0.82187  0.63164  0.88996  1.0000
H29    H       1.0  0.87953  0.64707  0.88989  1.0000
H30    H       1.0  0.87958  0.61670  0.87297  1.0000
O88    O       1.0  0.87937  0.30902  0.60517  1.0000
H31    H       1.0  0.87388  0.28959  0.60250  1.0000
H32    H       1.0  0.87042  0.31314  0.68861  1.0000
O89    O       1.0  0.24674  0.14020  0.17525  1.0000
H33    H       1.0  0.30162  0.14545  0.10934  1.0000
H34    H       1.0  0.15946  0.14054  0.14227  1.0000
O90    O       1.0  0.83762  0.34610  0.88990  1.0000
H35    H       1.0  0.87864  0.35331  0.81945  1.0000
H36    H       1.0  0.76303  0.33634  0.85940  1.0000
O91    O       1.0  0.63931  0.20406  0.31776  1.0000
H37    H       1.0  0.64644  0.19482  0.39298  1.0000
H38    H       1.0  0.71766  0.21494  0.31453  1.0000
O92    O       1.0  0.82445  0.67130  0.56665  1.0000
H39    H       1.0  0.87867  0.68659  0.54648  1.0000
H40    H       1.0  0.87863  0.66094  0.62012  1.0000
O93    O       1.0  0.61650  0.27941  0.69672  1.0000
H41    H       1.0  0.68360  0.26577  0.69008  1.0000
H42    H       1.0  0.65692  0.29318  0.74504  1.0000
O94    O       1.0  0.55848  0.95470  0.10934  1.0000
H43    H       1.0  0.58046  0.94013  0.16265  1.0000
H44    H       1.0  0.53605  0.96935  0.16208  1.0000
O95    O       1.0  0.14187  0.24302  0.68298  1.0000
H45    H       1.0  0.12122  0.25096  0.75902  1.0000
H46    H       1.0  0.12122  0.22417  0.69374  1.0000
O96    O       1.0  0.59519  0.20467  0.67647  1.0000
H47    H       1.0  0.64529  0.21337  0.73831  1.0000
H48    H       1.0  0.65063  0.20621  0.60732  1.0000
O97    O       1.0  0.68191  0.95263  0.51221  1.0000
H49    H       1.0  0.72041  0.93485  0.51410  1.0000
H50    H       1.0  0.72622  0.96137  0.44694  1.0000
O98    O       1.0  0.59738  0.94164  0.76555  1.0000
H51    H       1.0  0.60250  0.95796  0.71893  1.0000
H52    H       1.0  0.65567  0.92940  0.72490  1.0000
O99    O       1.0  0.57054  0.68304  0.10943  1.0000
H53    H       1.0  0.49314  0.67187  0.11246  1.0000
H54    H       1.0  0.63610  0.67232  0.14935  1.0000
O100   O       1.0  0.62841  0.64576  0.63152  1.0000
H55    H       1.0  0.68498  0.63316  0.67207  1.0000
H56    H       1.0  0.55217  0.63512  0.61214  1.0000
O101   O       1.0  0.19843  0.09134  0.15891  1.0000
H57    H       1.0  0.26237  0.08233  0.10972  1.0000
H58    H       1.0  0.12090  0.09173  0.10984  1.0000
O102   O       1.0  0.29589  0.91552  0.89130  1.0000
H59    H       1.0  0.30477  0.89613  0.89107  1.0000
H60    H       1.0  0.33489  0.92093  0.81689  1.0000
O103   O       1.0  0.40317  0.67691  0.83670  1.0000
H61    H       1.0  0.47428  0.68185  0.88890  1.0000
H62    H       1.0  0.33808  0.66958  0.88989  1.0000
O104   O       1.0  0.12077  0.96920  0.86975  1.0000
H63    H       1.0  0.12132  0.95026  0.88978  1.0000
H64    H       1.0  0.13038  0.96927  0.78443  1.0000
O105   O       1.0  0.62944  0.14187  0.80091  1.0000
H65    H       1.0  0.68423  0.15765  0.79320  1.0000
H66    H       1.0  0.63619  0.13730  0.88406  1.0000
O106   O       1.0  0.64094  0.80251  0.83754  1.0000
H67    H       1.0  0.64735  0.81774  0.89065  1.0000
H68    H       1.0  0.65068  0.78714  0.88946  1.0000
O107   O       1.0  0.84242  0.75095  0.87595  1.0000
H69    H       1.0  0.87915  0.74416  0.80279  1.0000
H70    H       1.0  0.75777  0.74232  0.88019  1.0000
O108   O       1.0  0.87870  0.64711  0.14795  1.0000
H71    H       1.0  0.87181  0.66451  0.10992  1.0000
H72    H       1.0  0.81122  0.63655  0.10991  1.0000
O109   O       1.0  0.54805  0.62343  0.39812  1.0000
H73    H       1.0  0.63987  0.62122  0.41616  1.0000
H74    H       1.0  0.54496  0.64024  0.35490  1.0000
O110   O       1.0  0.50211  0.18535  0.14593  1.0000
H75    H       1.0  0.49586  0.17219  0.20891  1.0000
H76    H       1.0  0.58591  0.18155  0.10988  1.0000
O111   O       1.0  0.37236  0.35201  0.10934  1.0000
H77    H       1.0  0.33066  0.35591  0.18438  1.0000
H78    H       1.0  0.45558  0.36116  0.11507  1.0000
O112   O       1.0  0.56979  0.06822  0.16280  1.0000
H79    H       1.0  0.49556  0.06846  0.10968  1.0000
H80    H       1.0  0.64418  0.06793  0.10986  1.0000
O113   O       1.0  0.42209  0.30981  0.69871  1.0000
H81    H       1.0  0.43544  0.32817  0.67279  1.0000
H82    H       1.0  0.35952  0.30277  0.64237  1.0000
O114   O       1.0  0.53056  0.25110  0.86958  1.0000
H83    H       1.0  0.51082  0.26957  0.89005  1.0000
H84    H       1.0  0.62191  0.24923  0.89016  1.0000
O115   O       1.0  0.12240  0.62610  0.56456  1.0000
H85    H       1.0  0.12085  0.63553  0.48953  1.0000
H86    H       1.0  0.12109  0.64044  0.62261  1.0000
O116   O       1.0  0.55176  0.02731  0.48335  1.0000
H87    H       1.0  0.57710  0.01926  0.40871  1.0000
H88    H       1.0  0.46771  0.01923  0.49999  1.0000
O117   O       1.0  0.17614  0.12328  0.84517  1.0000
H89    H       1.0  0.12340  0.12774  0.77675  1.0000
H90    H       1.0  0.12131  0.11108  0.88984  1.0000
O118   O       1.0  0.80247  0.95944  0.13632  1.0000
H91    H       1.0  0.77399  0.96930  0.20562  1.0000
H92    H       1.0  0.87867  0.96929  0.10990  1.0000
O119   O       1.0  0.86306  0.23210  0.68689  1.0000
H93    H       1.0  0.87870  0.23962  0.60906  1.0000
H94    H       1.0  0.87877  0.21306  0.67606  1.0000
O120   O       1.0  0.67056  0.07597  0.80997  1.0000
H95    H       1.0  0.64268  0.08017  0.88981  1.0000
H96    H       1.0  0.66036  0.09284  0.76813  1.0000
O121   O       1.0  0.11846  0.90428  0.74950  1.0000
H97    H       1.0  0.17589  0.89251  0.70525  1.0000
H98    H       1.0  0.12248  0.92108  0.70630  1.0000
O122   O       1.0  0.78534  0.88565  0.88994  1.0000
H99    H       1.0  0.87874  0.88474  0.87724  1.0000
H100   H       1.0  0.76717  0.90477  0.88976  1.0000
O123   O       1.0  0.42303  0.72623  0.30028  1.0000
H101   H       1.0  0.49187  0.71296  0.30687  1.0000
H102   H       1.0  0.42697  0.73575  0.37502  1.0000
O124   O       1.0  0.82269  0.27732  0.88985  1.0000
H103   H       1.0  0.87899  0.29297  0.88992  1.0000
H104   H       1.0  0.87871  0.26306  0.86099  1.0000
O125   O       1.0  0.12125  0.88370  0.18248  1.0000
H105   H       1.0  0.12081  0.86993  0.24314  1.0000
H106   H       1.0  0.12854  0.87359  0.10947  1.0000
O126   O       1.0  0.17422  0.81665  0.10903  1.0000
H107   H       1.0  0.24607  0.82931  0.10939  1.0000
H108   H       1.0  0.12068  0.82238  0.17505  1.0000
O127   O       1.0  0.37038  0.19492  0.37361  1.0000
H109   H       1.0  0.40386  0.21266  0.35549  1.0000
H110   H       1.0  0.30488  0.19194  0.31316  1.0000
O128   O       1.0  0.19312  0.75645  0.53397  1.0000
H111   H       1.0  0.27054  0.76287  0.49366  1.0000
H112   H       1.0  0.13438  0.75184  0.46990  1.0000
O129   O       1.0  0.38412  0.82379  0.83675  1.0000
H113   H       1.0  0.40745  0.80926  0.88979  1.0000
H114   H       1.0  0.36086  0.83834  0.88975  1.0000
O130   O       1.0  0.49537  0.61441  0.10923  1.0000
H115   H       1.0  0.44335  0.62307  0.16987  1.0000
H116   H       1.0  0.57525  0.62483  0.10819  1.0000
O131   O       1.0  0.44750  0.24426  0.66491  1.0000
H117   H       1.0  0.40278  0.23162  0.61383  1.0000
H118   H       1.0  0.37723  0.25464  0.69964  1.0000
O132   O       1.0  0.36140  0.26561  0.44213  1.0000
H119   H       1.0  0.34962  0.26199  0.35853  1.0000
H120   H       1.0  0.40180  0.28321  0.44341  1.0000
O133   O       1.0  0.83090  0.32928  0.10962  1.0000
H121   H       1.0  0.74049  0.32358  0.10959  1.0000
H122   H       1.0  0.87911  0.31253  0.11140  1.0000
O134   O       1.0  0.82199  0.82228  0.52441  1.0000
H123   H       1.0  0.87922  0.81618  0.46165  1.0000
H124   H       1.0  0.87877  0.83290  0.57460  1.0000
O135   O       1.0  0.12102  0.18621  0.83699  1.0000
H125   H       1.0  0.12083  0.20153  0.88998  1.0000
H126   H       1.0  0.12133  0.17091  0.89004  1.0000
O136   O       1.0  0.77636  0.78037  0.68301  1.0000
H127   H       1.0  0.86492  0.78309  0.65542  1.0000
H128   H       1.0  0.72495  0.78089  0.61107  1.0000
O137   O       1.0  0.42793  0.74449  0.83683  1.0000
H129   H       1.0  0.40642  0.72985  0.88992  1.0000
H130   H       1.0  0.44959  0.75915  0.88979  1.0000
O138   O       1.0  0.53103  0.01933  0.19255  1.0000
H131   H       1.0  0.45705  0.01945  0.13914  1.0000
H132   H       1.0  0.60568  0.01904  0.13993  1.0000
O139   O       1.0  0.12122  0.94598  0.10615  1.0000
H133   H       1.0  0.11996  0.96536  0.11459  1.0000
H134   H       1.0  0.11984  0.93955  0.18709  1.0000
O140   O       1.0  0.12117  0.28589  0.38470  1.0000
H135   H       1.0  0.12099  0.27242  0.44667  1.0000
H136   H       1.0  0.17524  0.30011  0.41677  1.0000
O141   O       1.0  0.60314  0.81301  0.41203  1.0000
H137   H       1.0  0.57367  0.80902  0.49161  1.0000
H138   H       1.0  0.60770  0.83246  0.41058  1.0000
O142   O       1.0  0.42472  0.09538  0.81968  1.0000
H139   H       1.0  0.37065  0.09518  0.89003  1.0000
H140   H       1.0  0.41678  0.11366  0.79102  1.0000
O143   O       1.0  0.42886  0.11531  0.32136  1.0000
H141   H       1.0  0.44244  0.13399  0.34236  1.0000
H142   H       1.0  0.34889  0.11062  0.36221  1.0000
O144   O       1.0  0.16744  0.63535  0.83754  1.0000
H143   H       1.0  0.21228  0.62327  0.89111  1.0000
H144   H       1.0  0.12063  0.64737  0.89001  1.0000
O145   O       1.0  0.13169  0.69152  0.60256  1.0000
H145   H       1.0  0.12075  0.71078  0.59488  1.0000
H146   H       1.0  0.12042  0.68496  0.52245  1.0000
O146   O       1.0  0.86009  0.74868  0.49572  1.0000
H147   H       1.0  0.86692  0.76220  0.43427  1.0000
H148   H       1.0  0.87872  0.73203  0.45460  1.0000
O147   O       1.0  0.12298  0.75393  0.86863  1.0000
H149   H       1.0  0.20712  0.76137  0.89005  1.0000
H150   H       1.0  0.12106  0.75553  0.78317  1.0000
O148   O       1.0  0.87862  0.73354  0.12750  1.0000
H151   H       1.0  0.87865  0.73414  0.21322  1.0000
H152   H       1.0  0.87315  0.71451  0.10988  1.0000
O149   O       1.0  0.21264  0.61852  0.25546  1.0000
H153   H       1.0  0.12857  0.62650  0.27304  1.0000
H154   H       1.0  0.26702  0.62419  0.32104  1.0000
O150   O       1.0  0.64427  0.25199  0.44649  1.0000
H155   H       1.0  0.57168  0.23988  0.45996  1.0000
H156   H       1.0  0.62569  0.25968  0.36951  1.0000
O151   O       1.0  0.77428  0.92460  0.30427  1.0000
H157   H       1.0  0.72100  0.90922  0.32515  1.0000
H158   H       1.0  0.85695  0.92095  0.34267  1.0000
O152   O       1.0  0.63357  0.71311  0.73899  1.0000
H159   H       1.0  0.70366  0.71921  0.68806  1.0000
H160   H       1.0  0.62545  0.69420  0.71992  1.0000
O153   O       1.0  0.21306  0.28645  0.88980  1.0000
H161   H       1.0  0.12132  0.29117  0.88983  1.0000
H162   H       1.0  0.25667  0.30350  0.87728  1.0000
O154   O       1.0  0.64231  0.84857  0.61663  1.0000
H163   H       1.0  0.57827  0.86128  0.64573  1.0000
H164   H       1.0  0.66687  0.83852  0.68664  1.0000
O155   O       1.0  0.86957  0.69690  0.87414  1.0000
H165   H       1.0  0.77909  0.69258  0.89021  1.0000
H166   H       1.0  0.87861  0.69344  0.79014  1.0000
O156   O       1.0  0.87920  0.14266  0.10982  1.0000
H167   H       1.0  0.87878  0.13612  0.19061  1.0000
H168   H       1.0  0.81690  0.15731  0.11110  1.0000
O157   O       1.0  0.82220  0.89704  0.12580  1.0000
H169   H       1.0  0.73642  0.90399  0.10670  1.0000
H170   H       1.0  0.87929  0.91230  0.11330  1.0000
O158   O       1.0  0.25870  0.71775  0.13860  1.0000
H171   H       1.0  0.29857  0.73416  0.10984  1.0000
H172   H       1.0  0.16984  0.71885  0.10966  1.0000
O159   O       1.0  0.87874  0.04247  0.83684  1.0000
H173   H       1.0  0.87876  0.05777  0.88991  1.0000
H174   H       1.0  0.87873  0.02715  0.88981  1.0000
O160   O       1.0  0.33974  0.86508  0.50730  1.0000
H175   H       1.0  0.39172  0.84892  0.51583  1.0000
H176   H       1.0  0.35613  0.87483  0.58004  1.0000
O161   O       1.0  0.44612  0.92031  0.62124  1.0000
H177   H       1.0  0.50648  0.91386  0.56166  1.0000
H178   H       1.0  0.37186  0.92645  0.57553  1.0000
O162   O       1.0  0.12134  0.07939  0.71265  1.0000
H179   H       1.0  0.12088  0.06528  0.65355  1.0000
H180   H       1.0  0.21198  0.08040  0.73669  1.0000
O163   O       1.0  0.24509  0.03125  0.32170  1.0000
H181   H       1.0  0.17077  0.01925  0.32580  1.0000
H182   H       1.0  0.31941  0.01925  0.32564  1.0000
O164   O       1.0  0.32496  0.84658  0.30321  1.0000
H183   H       1.0  0.39361  0.83321  0.30687  1.0000
H184   H       1.0  0.35939  0.86001  0.24948  1.0000
O165   O       1.0  0.35011  0.21794  0.88862  1.0000
H185   H       1.0  0.34044  0.21175  0.80777  1.0000
H186   H       1.0  0.30228  0.23474  0.88982  1.0000
O166   O       1.0  0.45045  0.33343  0.89126  1.0000
H187   H       1.0  0.53074  0.32320  0.88655  1.0000
H188   H       1.0  0.47974  0.35195  0.88993  1.0000
O167   O       1.0  0.55227  0.80916  0.11168  1.0000
H189   H       1.0  0.56918  0.80712  0.19558  1.0000
H190   H       1.0  0.48700  0.82324  0.10850  1.0000
O168   O       1.0  0.12157  0.22246  0.47371  1.0000
H191   H       1.0  0.12030  0.20404  0.44584  1.0000
H192   H       1.0  0.21372  0.22675  0.47745  1.0000
O169   O       1.0  0.50461  0.63154  0.82745  1.0000
H193   H       1.0  0.58164  0.63720  0.87049  1.0000
H194   H       1.0  0.45479  0.62163  0.88585  1.0000
O170   O       1.0  0.12001  0.77302  0.20993  1.0000
H195   H       1.0  0.12104  0.76803  0.12702  1.0000
H196   H       1.0  0.12124  0.75589  0.25079  1.0000
O171   O       1.0  0.16735  0.83857  0.60920  1.0000
H197   H       1.0  0.22700  0.82499  0.63848  1.0000
H198   H       1.0  0.12041  0.84420  0.67939  1.0000
O172   O       1.0  0.13088  0.07469  0.35725  1.0000
H199   H       1.0  0.12115  0.06596  0.43341  1.0000
H200   H       1.0  0.12112  0.09361  0.37553  1.0000
O173   O       1.0  0.14869  0.36626  0.88980  1.0000
H201   H       1.0  0.12133  0.34761  0.88978  1.0000
H202   H       1.0  0.24303  0.36518  0.88634  1.0000
O174   O       1.0  0.72939  0.36348  0.24183  1.0000
H203   H       1.0  0.81732  0.37046  0.23479  1.0000
H204   H       1.0  0.68600  0.37022  0.17164  1.0000
O175   O       1.0  0.36332  0.96952  0.86166  1.0000
H205   H       1.0  0.37489  0.96939  0.77654  1.0000
H206   H       1.0  0.45180  0.96949  0.89191  1.0000
O176   O       1.0  0.84037  0.95987  0.67589  1.0000
H207   H       1.0  0.88301  0.94249  0.67396  1.0000
H208   H       1.0  0.88170  0.96968  0.61200  1.0000
O177   O       1.0  0.39399  0.35061  0.47971  1.0000
H209   H       1.0  0.33890  0.33490  0.47126  1.0000
H210   H       1.0  0.34451  0.36473  0.44125  1.0000
O178   O       1.0  0.60591  0.37494  0.47391  1.0000
H211   H       1.0  0.68980  0.36666  0.45856  1.0000
H212   H       1.0  0.57208  0.37869  0.39554  1.0000
O179   O       1.0  0.85590  0.09893  0.34085  1.0000
H213   H       1.0  0.87872  0.10609  0.41787  1.0000
H214   H       1.0  0.77996  0.08790  0.35673  1.0000
O180   O       1.0  0.35072  0.65867  0.54629  1.0000
H215   H       1.0  0.35983  0.67684  0.51653  1.0000
H216   H       1.0  0.34194  0.66109  0.63101  1.0000
O181   O       1.0  0.12400  0.02342  0.11030  1.0000
H217   H       1.0  0.12127  0.04206  0.13510  1.0000
H218   H       1.0  0.21636  0.01925  0.10957  1.0000
O182   O       1.0  0.87884  0.21040  0.15112  1.0000
H219   H       1.0  0.79767  0.20715  0.10953  1.0000
H220   H       1.0  0.87894  0.22968  0.16334  1.0000
O183   O       1.0  0.54118  0.73266  0.10953  1.0000
H221   H       1.0  0.52580  0.75187  0.10962  1.0000
H222   H       1.0  0.63547  0.73121  0.11025  1.0000
O184   O       1.0  0.15546  0.25015  0.22223  1.0000
H223   H       1.0  0.12124  0.24921  0.14238  1.0000
H224   H       1.0  0.12134  0.23408  0.25959  1.0000
O185   O       1.0  0.87621  0.82496  0.24372  1.0000
H225   H       1.0  0.78405  0.82500  0.26289  1.0000
H226   H       1.0  0.87952  0.83320  0.16608  1.0000
O186   O       1.0  0.62832  0.76528  0.34050  1.0000
H227   H       1.0  0.67466  0.74960  0.31184  1.0000
H228   H       1.0  0.62441  0.76250  0.42531  1.0000
O187   O       1.0  0.46651  0.05586  0.69024  1.0000
H229   H       1.0  0.53069  0.06310  0.63592  1.0000
H230   H       1.0  0.38909  0.05388  0.64178  1.0000
O188   O       1.0  0.36840  0.72926  0.63059  1.0000
H231   H       1.0  0.40577  0.71295  0.66295  1.0000
H232   H       1.0  0.44401  0.74000  0.61013  1.0000
O189   O       1.0  0.12194  0.31274  0.62535  1.0000
H233   H       1.0  0.12215  0.32168  0.70155  1.0000
H234   H       1.0  0.12076  0.29382  0.64565  1.0000
O190   O       1.0  0.55148  0.16114  0.57569  1.0000
H235   H       1.0  0.49760  0.16508  0.50738  1.0000
H236   H       1.0  0.48946  0.16027  0.64032  1.0000
O191   O       1.0  0.68771  0.13464  0.36256  1.0000
H237   H       1.0  0.71658  0.14309  0.43525  1.0000
H238   H       1.0  0.68306  0.14942  0.30690  1.0000
O192   O       1.0  0.20622  0.66942  0.10869  1.0000
H239   H       1.0  0.12101  0.66107  0.11425  1.0000
H240   H       1.0  0.26590  0.65431  0.10954  1.0000
O193   O       1.0  0.47527  0.90143  0.33965  1.0000
H241   H       1.0  0.38936  0.90357  0.37421  1.0000
H242   H       1.0  0.51009  0.88576  0.37959  1.0000
O194   O       1.0  0.87869  0.18011  0.45211  1.0000
H243   H       1.0  0.87871  0.19938  0.46434  1.0000
H244   H       1.0  0.87382  0.17826  0.36684  1.0000
O195   O       1.0  0.78792  0.69122  0.30351  1.0000
H245   H       1.0  0.75328  0.67531  0.34170  1.0000
H246   H       1.0  0.87891  0.69132  0.32687  1.0000
O196   O       1.0  0.87518  0.86562  0.40816  1.0000
H247   H       1.0  0.78317  0.86680  0.42722  1.0000
H248   H       1.0  0.87917  0.87130  0.32621  1.0000
O197   O       1.0  0.87891  0.06903  0.16563  1.0000
H249   H       1.0  0.87870  0.08481  0.11540  1.0000
H250   H       1.0  0.87870  0.05422  0.10991  1.0000
O198   O       1.0  0.12289  0.70552  0.81375  1.0000
H251   H       1.0  0.21520  0.70740  0.79709  1.0000
H252   H       1.0  0.12109  0.69736  0.89163  1.0000
O199   O       1.0  0.39129  0.02673  0.89002  1.0000
H253   H       1.0  0.37137  0.01926  0.81291  1.0000
H254   H       1.0  0.36283  0.04525  0.88374  1.0000
O200   O       1.0  0.80704  0.78059  0.16400  1.0000
H255   H       1.0  0.87997  0.78471  0.11252  1.0000
H256   H       1.0  0.73661  0.77665  0.10946  1.0000
O201   O       1.0  0.86819  0.03401  0.32248  1.0000
H257   H       1.0  0.87861  0.01926  0.26729  1.0000
H258   H       1.0  0.77695  0.03882  0.31479  1.0000
O202   O       1.0  0.49381  0.23531  0.12047  1.0000
H259   H       1.0  0.48951  0.24309  0.19901  1.0000
H260   H       1.0  0.58583  0.23155  0.10977  1.0000
O203   O       1.0  0.21194  0.19191  0.10977  1.0000
H261   H       1.0  0.12126  0.19742  0.10991  1.0000
H262   H       1.0  0.25933  0.20876  0.10996  1.0000
O204   O       1.0  0.53847  0.88262  0.89103  1.0000
H263   H       1.0  0.56622  0.86462  0.87015  1.0000
H264   H       1.0  0.53164  0.89167  0.81533  1.0000
O205   O       1.0  0.87871  0.31801  0.38860  1.0000
H265   H       1.0  0.87745  0.33665  0.41336  1.0000
H266   H       1.0  0.81752  0.31752  0.32325  1.0000
O206   O       1.0  0.62422  0.36205  0.71870  1.0000
H267   H       1.0  0.70331  0.36757  0.67846  1.0000
H268   H       1.0  0.57385  0.37849  0.72403  1.0000
O207   O       1.0  0.55287  0.11047  0.51152  1.0000
H269   H       1.0  0.63355  0.10083  0.52562  1.0000
H270   H       1.0  0.51407  0.11185  0.58950  1.0000
O208   O       1.0  0.29380  0.68383  0.30694  1.0000
H271   H       1.0  0.21832  0.67311  0.32792  1.0000
H272   H       1.0  0.36279  0.67066  0.29810  1.0000
O209   O       1.0  0.27167  0.11390  0.58249  1.0000
H273   H       1.0  0.29227  0.13109  0.61829  1.0000
H274   H       1.0  0.17875  0.11505  0.56743  1.0000
O210   O       1.0  0.21325  0.02103  0.55963  1.0000
H275   H       1.0  0.21439  0.01918  0.64500  1.0000
H276   H       1.0  0.12119  0.02232  0.54088  1.0000
O211   O       1.0  0.36029  0.77304  0.24086  1.0000
H277   H       1.0  0.33183  0.78487  0.30393  1.0000
H278   H       1.0  0.35265  0.78406  0.17049  1.0000
O212   O       1.0  0.39247  0.78847  0.64706  1.0000
H279   H       1.0  0.47525  0.79377  0.68132  1.0000
H280   H       1.0  0.34268  0.78214  0.71443  1.0000
O213   O       1.0  0.14406  0.89772  0.42672  1.0000
H281   H       1.0  0.12075  0.91109  0.36806  1.0000
H282   H       1.0  0.16311  0.90828  0.49669  1.0000
O214   O       1.0  0.85646  0.96934  0.89151  1.0000
H283   H       1.0  0.76201  0.96933  0.88730  1.0000
H284   H       1.0  0.87882  0.95041  0.89125  1.0000
O215   O       1.0  0.12894  0.80875  0.38670  1.0000
H285   H       1.0  0.12492  0.82806  0.39752  1.0000
H286   H       1.0  0.12090  0.80175  0.46639  1.0000
O216   O       1.0  0.83527  0.08198  0.61564  1.0000
H287   H       1.0  0.87866  0.06899  0.56528  1.0000
H288   H       1.0  0.87901  0.07996  0.69116  1.0000
O217   O       1.0  0.57981  0.70514  0.50914  1.0000
H289   H       1.0  0.65423  0.71335  0.47053  1.0000
H290   H       1.0  0.59800  0.68606  0.50415  1.0000
O218   O       1.0  0.24871  0.96935  0.31973  1.0000
H291   H       1.0  0.30803  0.96829  0.25310  1.0000
H292   H       1.0  0.25910  0.95212  0.35862  1.0000
O219   O       1.0  0.59052  0.11802  0.15757  1.0000
H293   H       1.0  0.66900  0.11766  0.10975  1.0000
H294   H       1.0  0.52927  0.12810  0.10964  1.0000
O220   O       1.0  0.35937  0.28826  0.16288  1.0000
H295   H       1.0  0.32789  0.27438  0.10990  1.0000
H296   H       1.0  0.39054  0.30215  0.10982  1.0000
O221   O       1.0  0.55227  0.32213  0.24843  1.0000
H297   H       1.0  0.51218  0.33544  0.29940  1.0000
H298   H       1.0  0.53990  0.30542  0.29104  1.0000
O222   O       1.0  0.60861  0.86409  0.17124  1.0000
H299   H       1.0  0.67027  0.85595  0.11699  1.0000
H300   H       1.0  0.54551  0.87258  0.11945  1.0000
O223   O       1.0  0.14105  0.35594  0.32181  1.0000
H301   H       1.0  0.11957  0.34860  0.39883  1.0000
H302   H       1.0  0.12107  0.37489  0.32973  1.0000
O224   O       1.0  0.13727  0.14983  0.41384  1.0000
H303   H       1.0  0.23042  0.15181  0.42576  1.0000
H304   H       1.0  0.12077  0.15995  0.34210  1.0000
O225   O       1.0  0.41606  0.15832  0.89001  1.0000
H305   H       1.0  0.35649  0.16155  0.82493  1.0000
H306   H       1.0  0.47172  0.17407  0.88984  1.0000
O226   O       1.0  0.86470  0.12243  0.83673  1.0000
H307   H       1.0  0.87883  0.13745  0.88979  1.0000
H308   H       1.0  0.84992  0.10742  0.88972  1.0000
O227   O       1.0  0.44403  0.06258  0.35512  1.0000
H309   H       1.0  0.52522  0.07098  0.37887  1.0000
H310   H       1.0  0.39062  0.06354  0.42577  1.0000
O228   O       1.0  0.87178  0.88680  0.64874  1.0000
H311   H       1.0  0.78053  0.88836  0.67015  1.0000
H312   H       1.0  0.87890  0.89755  0.57753  1.0000
O229   O       1.0  0.68173  0.27656  0.16253  1.0000
H313   H       1.0  0.61111  0.28128  0.10941  1.0000
H314   H       1.0  0.74973  0.27023  0.10986  1.0000
O230   O       1.0  0.66640  0.31760  0.49540  1.0000
H315   H       1.0  0.62188  0.30042  0.49708  1.0000
H316   H       1.0  0.65169  0.32482  0.57394  1.0000
