Structure_OPT_ (C37N2O6H25)6  (P1)_PMDAB
           1
    16.322586    0.000000    0.000000
     0.000000   16.322586    0.000000
     0.000000    0.000000   16.322586
   C    H    N    O 
   222   150    12    36
Direct configuration=     1
   0.56317597  0.75695730  0.08679707
   0.57025200  0.67357068  0.10720979
   0.61912638  0.61919482  0.06097562
   0.60200618  0.79075317  0.01740974
   0.65185104  0.73678543  0.97192989
   0.66115572  0.65395643  0.99385617
   0.50841525  0.80083916  0.15078802
   0.51851822  0.65562096  0.18525751
   0.72209400  0.61206003  0.93416983
   0.70465902  0.75527483  0.89484035
   0.81366850  0.66544517  0.80459433
   0.85113265  0.58895069  0.79241341
   0.91118991  0.57930648  0.73080481
   0.83517681  0.73173133  0.75465283
   0.89471995  0.72211489  0.69299919
   0.93349963  0.64658693  0.68149178
   0.98657370  0.56254095  0.56525332
   0.93160691  0.50288485  0.59111809
   0.92264480  0.43081185  0.54658149
   0.03094222  0.55116210  0.49198346
   0.02114525  0.47867037  0.44689259
   0.96798736  0.41809639  0.47524039
   0.95754857  0.33708834  0.42899228
   0.02755226  0.32390749  0.36735491
   0.01469906  0.33132434  0.28253714
   0.07873423  0.31247781  0.22802287
   0.10444327  0.30159017  0.39714399
   0.16790987  0.28406849  0.34329022
   0.15488008  0.28776066  0.25887151
   0.28065467  0.21163748  0.24922186
   0.24928061  0.15232942  0.30285028
   0.30253853  0.10452392  0.34969078
   0.36519751  0.22150435  0.24092101
   0.41854351  0.17328776  0.28745932
   0.38719963  0.11501372  0.34214949
   0.96234441  0.26739397  0.49209462
   0.87303676  0.33790526  0.38589186
   0.80211831  0.72012410  0.01459877
   0.86414584  0.74484273  0.96046685
   0.92374580  0.69085833  0.93212086
   0.79424460  0.63894777  0.04079813
   0.85251629  0.58432668  0.01017170
   0.91587609  0.60989931  0.95793887
   0.74867729  0.79428593  0.03703185
   0.85458147  0.83651711  0.94112029
   0.97024264  0.53654429  0.93597044
   0.85998467  0.49143887  0.02556957
   0.96567927  0.37501541  0.97041618
   0.03696170  0.35982692  0.92548973
   0.06395283  0.27926979  0.91330939
   0.92321849  0.31007197  0.00683696
   0.95030342  0.22935881  0.99517798
   0.02016316  0.21373489  0.94756854
   0.10406289  0.12092372  0.86100149
   0.07197535  0.12515579  0.78161567
   0.12456472  0.12151884  0.71370214
   0.18849643  0.11149358  0.87240929
   0.24092993  0.10782544  0.80447952
   0.20888463  0.11346296  0.72508425
   0.26709476  0.11105654  0.65033770
   0.26728200  0.02531759  0.61151564
   0.32864702  0.00393788  0.55516922
   0.32758198  0.92654011  0.51717362
   0.20586790  0.96961596  0.63107222
   0.20425472  0.89258972  0.59331592
   0.26523980  0.87079303  0.53587673
   0.32222518  0.77683806  0.42481898
   0.34298159  0.84325529  0.37371833
   0.39442809  0.83040800  0.30482850
   0.35533862  0.69888633  0.40879742
   0.40600694  0.68601562  0.34019807
   0.42553089  0.75135216  0.28795527
   0.23826212  0.17320579  0.58569088
   0.35369201  0.13342591  0.67889842
   0.48802878  0.27594257  0.41809802
   0.53926652  0.20704348  0.41315326
   0.55226628  0.15434634  0.47998882
   0.44671366  0.29659464  0.49048023
   0.45873728  0.24320715  0.55722572
   0.51000579  0.17413151  0.55218630
   0.48643682  0.32018291  0.33388737
   0.57516251  0.20059949  0.32629745
   0.50978831  0.12824621  0.63580770
   0.42101758  0.24832475  0.64359346
   0.43057560  0.15586047  0.78153215
   0.45776841  0.08359259  0.81832380
   0.43304256  0.06401155  0.89879701
   0.38064215  0.20959351  0.82532076
   0.35779819  0.19145341  0.90655114
   0.38480444  0.11934616  0.94382208
   0.43273443  0.07043183  0.08235675
   0.50150718  0.03775703  0.04312082
   0.56376933  0.00044865  0.08870613
   0.42964416  0.07181450  0.16844866
   0.49296403  0.03520109  0.21403966
   0.55866855  0.99719655  0.17323544
   0.62534041  0.95190198  0.22184939
   0.59019799  0.92878722  0.30589906
   0.61024511  0.97508169  0.37516296
   0.57254541  0.95799066  0.45031395
   0.53584501  0.86300717  0.31248112
   0.49748487  0.84639992  0.38713715
   0.51504605  0.89430484  0.45593056
   0.45273238  0.78664077  0.54203991
   0.48279677  0.73183334  0.48320699
   0.46345119  0.64826904  0.48832532
   0.40364497  0.75759275  0.60631920
   0.38401427  0.67401190  0.61111212
   0.41430968  0.61937469  0.55240558
   0.64967613  0.87388100  0.17469281
   0.70119801  0.00685967  0.23243524
   0.04577924  0.85215687  0.04182466
   0.96990325  0.83573118  0.07862133
   0.95956289  0.77322180  0.13597993
   0.11603177  0.80718696  0.06081666
   0.10602063  0.74598687  0.12072375
   0.02960081  0.72863245  0.15564597
   0.03660691  0.92427478  0.98160900
   0.90536129  0.89565103  0.04593317
   0.03792465  0.65707730  0.21665062
   0.17111047  0.68863886  0.15813953
   0.16554238  0.56534274  0.27308810
   0.11478883  0.50641016  0.30963200
   0.14925258  0.44246275  0.35649510
   0.25237935  0.56165685  0.28695040
   0.28578972  0.49695204  0.33267496
   0.23464280  0.43698730  0.36646720
   0.26671615  0.38106670  0.50427624
   0.30631913  0.44889680  0.53987700
   0.30496958  0.45946743  0.62547659
   0.22404814  0.32555805  0.55391053
   0.22307592  0.33595389  0.63918375
   0.26429200  0.40239785  0.67508096
   0.26355031  0.41281237  0.76918291
   0.34613827  0.38460723  0.80646498
   0.34719522  0.32582631  0.86912245
   0.42212110  0.30105429  0.90448007
   0.41933803  0.41858955  0.77836934
   0.49407260  0.39675030  0.81473996
   0.49620455  0.33990020  0.88007114
   0.57464289  0.31182199  0.01524722
   0.53468795  0.37115222  0.06370036
   0.52449713  0.35803607  0.14836995
   0.61001058  0.24282070  0.05338146
   0.60185200  0.23138591  0.13847374
   0.55554529  0.28698455  0.18513373
   0.24966093  0.50380847  0.79039205
   0.19343342  0.36064833  0.80445003
   0.30654714  0.46676609  0.14218505
   0.33492407  0.52627674  0.08715990
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   0.32980497  0.38509387  0.13693724
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   0.29941032  0.61092106  0.11107573
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