structure opt. C110N10O25H52 amorphous(p
           1
    13.470739    0.000000    0.000000
     0.000000   13.470739    0.000000
     0.000000    0.000000   13.470739
   C    N    O    H 
   110    10    25    52
Direct configuration=     1
   0.89693032  0.66917517  0.68860301
   0.95538846  0.69392304  0.78354873
   0.01270435  0.77971412  0.76845646
   0.99817660  0.81620778  0.66022996
   0.07208374  0.82020389  0.84527036
   0.06404747  0.77570844  0.93488305
   0.00768350  0.68991430  0.95036669
   0.95397611  0.64461496  0.87428869
   0.01631031  0.65958264  0.05930799
   0.11184532  0.80844543  0.03124672
   0.09900951  0.74646939  0.21554405
   0.16006569  0.82207389  0.24995913
   0.16633228  0.83892760  0.35031918
   0.10975805  0.78058922  0.41497078
   0.05861629  0.70057104  0.38108816
   0.05337565  0.68228165  0.28092417
   0.18344343  0.87337732  0.54125627
   0.24481349  0.85389293  0.61771249
   0.31614335  0.92196886  0.64554738
   0.32289765  0.01132938  0.59548467
   0.26338765  0.02914590  0.51249389
   0.19302789  0.95969807  0.48562660
   0.46268405  0.08047103  0.71878140
   0.51314050  0.18174880  0.72955217
   0.48019766  0.24456784  0.65308818
   0.40542637  0.19008264  0.58802339
   0.51343133  0.34039419  0.64300880
   0.57918576  0.37280331  0.71433362
   0.61103136  0.31230947  0.79303732
   0.58057052  0.21365974  0.80181238
   0.68047844  0.37263869  0.86096633
   0.62642700  0.47464117  0.72277705
   0.74653659  0.56191289  0.85242035
   0.80203239  0.55576939  0.93960228
   0.85772703  0.63800576  0.97069707
   0.85932724  0.72446896  0.91198856
   0.79997742  0.73053490  0.82779469
   0.74451467  0.64949348  0.79785198
   0.92303555  0.83087300  0.04753131
   0.98062129  0.90914575  0.08494899
   0.98222385  0.93036405  0.18691910
   0.92512244  0.87430448  0.25305073
   0.86287185  0.79311164  0.21268225
   0.86512427  0.77281367  0.11086677
   0.87573120  0.84743577  0.45041121
   0.89107464  0.90753673  0.54588136
   0.95595759  0.98647109  0.52837331
   0.98380122  0.98771175  0.41549208
   0.98735700  0.05083725  0.60661545
   0.94133576  0.03341027  0.70100313
   0.87074932  0.95819991  0.71301028
   0.84797173  0.89039746  0.63840728
   0.82676876  0.96467502  0.81756523
   0.95162877  0.09110119  0.80440714
   0.85938188  0.08749078  0.96658694
   0.76787565  0.07714279  0.00930742
   0.75320881  0.11018349  0.10315840
   0.83843238  0.14649990  0.15879097
   0.92599175  0.16531669  0.11016437
   0.93633583  0.13655716  0.01424117
   0.76537077  0.23843449  0.29382207
   0.78929247  0.33796601  0.28317176
   0.72919301  0.40772441  0.32681557
   0.64564574  0.37606466  0.37863768
   0.61625209  0.27920648  0.37605129
   0.67717964  0.21014683  0.33653854
   0.48343049  0.42876780  0.47047976
   0.45562836  0.51947919  0.52927898
   0.53646652  0.58448341  0.53278675
   0.61710265  0.54549167  0.46570515
   0.53677573  0.66860383  0.59149222
   0.44928910  0.68679617  0.64028130
   0.36513698  0.62697966  0.62557214
   0.36806689  0.53978838  0.57445495
   0.27753961  0.67384982  0.67376787
   0.42280641  0.77235092  0.70914635
   0.24671658  0.84392787  0.75957444
   0.14707689  0.84007801  0.73022918
   0.08577940  0.91882671  0.74940817
   0.12215259  0.99763081  0.80269726
   0.22038543  0.99991059  0.83584002
   0.28265487  0.92228676  0.81424618
   0.02398725  0.13208971  0.73403820
   0.92014226  0.15102945  0.72048336
   0.89241967  0.22395393  0.66296348
   0.96152105  0.27803101  0.61511897
   0.06008426  0.24740312  0.60845876
   0.09230038  0.17411620  0.67081163
   0.83707037  0.41953989  0.59433012
   0.83650855  0.51036957  0.53227708
   0.92129346  0.51079129  0.47174839
   0.98321812  0.42136156  0.49273699
   0.93977984  0.58260703  0.40637396
   0.87175271  0.65668463  0.40293412
   0.78494392  0.65650031  0.46110346
   0.76718978  0.58399787  0.52973070
   0.72000793  0.74581978  0.43432667
   0.87463133  0.74578170  0.33865715
   0.74122008  0.89408846  0.30482878
   0.79393240  0.93201688  0.22528551
   0.77576462  0.02172749  0.19155236
   0.69519298  0.07857944  0.23194737
   0.63306263  0.03493168  0.30174229
   0.65707557  0.94315317  0.33975169
   0.57666128  0.18565085  0.14233617
   0.48764863  0.20422950  0.19326102
   0.39744667  0.20728316  0.14115548
   0.39618402  0.19182461  0.03839237
   0.48467628  0.17192480  0.98775326
   0.57488106  0.16867571  0.03962118
   0.92401801  0.74657841  0.61194819
   0.07784885  0.73833391  0.10916799
   0.39298232  0.08854202  0.63105783
   0.68852373  0.47495002  0.81512933
   0.92761099  0.90103423  0.36657063
   0.87676462  0.05084348  0.86890832
   0.58647357  0.44533379  0.43468258
   0.31252033  0.76856675  0.71884101
   0.92961302  0.36470672  0.56833463
   0.77600663  0.80223014  0.35566893
   0.10620090  0.80295230  0.51951075
   0.83258248  0.59202272  0.67607089
   0.04308610  0.89581266  0.61634667
   0.97548717  0.57792167  0.10324454
   0.17132672  0.88932855  0.04461897
   0.92425967  0.81097970  0.93858304
   0.47805242  0.99868753  0.77648427
   0.35775239  0.22735235  0.50689095
   0.72534768  0.34049366  0.94582282
   0.61390887  0.55180593  0.65877433
   0.83534088  0.16273233  0.26653591
   0.82762043  0.76177679  0.44448525
   0.04481020  0.05393517  0.36904970
   0.75566031  0.90433820  0.85680464
   0.01349247  0.17163939  0.82953125
   0.05820094  0.07711388  0.82615598
   0.42566195  0.34760039  0.45337639
   0.70001894  0.59189071  0.43873188
   0.18268873  0.63856828  0.67340474
   0.48532481  0.84262538  0.74646025
   0.67430646  0.18406049  0.19794262
   0.76702026  0.39185044  0.66213702
   0.07212477  0.39769007  0.45082194
   0.62957679  0.76922593  0.47336520
   0.95060628  0.76965677  0.27638892
   0.12254097  0.88151544  0.83494910
   0.91412232  0.57515513  0.88491523
   0.20270582  0.86740965  0.19792246
   0.21548509  0.89652020  0.37901228
   0.02235755  0.65199559  0.43354869
   0.01340498  0.61790243  0.25327567
   0.23677085  0.78499168  0.65628969
   0.36674781  0.90551088  0.70626446
   0.27244538  0.09693587  0.46920718
   0.14546042  0.97231446  0.42124814
   0.48913996  0.38780609  0.58271987
   0.60744078  0.16497722  0.86069302
   0.80243125  0.48730675  0.98295948
   0.89873545  0.63510485  0.03975676
   0.79681691  0.79925995  0.78554755
   0.69912463  0.65417791  0.73102725
   0.02427170  0.95433949  0.03392679
   0.02799555  0.99092570  0.21453002
   0.81322158  0.75082174  0.25943318
   0.82128071  0.71170392  0.08089984
   0.04197165  0.10868690  0.59496184
   0.79907357  0.82734201  0.65158463
   0.70737793  0.04255492  0.96822743
   0.67998494  0.10857732  0.13356399
   0.98684724  0.20253305  0.14833629
   0.00528057  0.15174703  0.97457512
   0.85442746  0.36045557  0.24054017
   0.74652617  0.48663880  0.32072144
   0.54428096  0.25775019  0.40593639
   0.65748582  0.13337955  0.34002522
   0.60156210  0.71659215  0.59878081
   0.30440698  0.49021258  0.56972786
   0.11844954  0.77450738  0.69249331
   0.00931428  0.91900162  0.72341661
   0.24738804  0.06309102  0.87867213
   0.35925532  0.92260318  0.84037121
   0.86283378  0.10509178  0.75694835
   0.81380911  0.24090848  0.65383943
   0.11022386  0.28107670  0.55471054
   0.16949298  0.15001670  0.67056406
   0.00477980  0.58113401  0.35838996
   0.70310284  0.58529624  0.57899916
   0.84721745  0.88902078  0.18776582
   0.82377930  0.04920517  0.13354034
   0.56552120  0.07278687  0.32567038
   0.61073348  0.90935672  0.39673058
   0.48849825  0.21607165  0.27327461
   0.32825150  0.22152454  0.18073288
   0.48343652  0.15881695  0.90791493
   0.64355328  0.15269188  0.00011790
   0.89525984  0.75198709  0.53851324
   0.32625402  0.19562170  0.99771463