No title                                
           1
    15.326200    0.000000    0.000000
     0.000000   15.326200    0.000000
     0.000000    0.000000   25.837260
   Si   O    C    N    H 
   130     4     8     1    22
Direct configuration=     1
   0.06318185  0.99831943  0.25330968
   0.28771438  0.84269251  0.46002159
   0.24161874  0.97185124  0.40266322
   0.18818185  0.99831943  0.30649607
   0.06318185  0.12331943  0.19988346
   0.18932478  0.72383377  0.72446051
   0.06318185  0.12331943  0.41199590
   0.18818185  0.12331943  0.35922955
   0.06318185  0.24831943  0.25330968
   0.23359459  0.06437000  0.36795119
   0.85182579  0.30752590  0.42994107
   0.18818185  0.24831943  0.30649607
   0.06318185  0.37331943  0.19988346
   0.19808109  0.12561553  0.11778273
   0.06318185  0.37331943  0.41199590
   0.18818185  0.37331943  0.35922955
   0.06318185  0.49831943  0.25330968
   0.91588530  0.16970973  0.38839419
   0.72187654  0.70753541  0.09170692
   0.18818185  0.49831943  0.30649607
   0.06318185  0.62331943  0.19988346
   0.47231167  0.62179688  0.58797836
   0.06318185  0.62331943  0.41199590
   0.18818185  0.62331943  0.35922955
   0.06318185  0.74831943  0.25330968
   0.59544606  0.09182651  0.27232670
   0.20856195  0.34861269  0.15439278
   0.18818185  0.74831943  0.30649607
   0.06318185  0.87331943  0.19988346
   0.01100625  0.93141035  0.94219069
   0.06318185  0.87331943  0.41199590
   0.18818185  0.87331943  0.35922955
   0.31318185  0.99831943  0.25330968
   0.70802291  0.71071012  0.36437344
   0.36892018  0.95451208  0.43930937
   0.43818185  0.99831943  0.30649607
   0.31318185  0.12331943  0.19988346
   0.84269648  0.63698492  0.20471415
   0.31318185  0.12331943  0.41199590
   0.43818185  0.12331943  0.35922955
   0.31318185  0.24831943  0.25330968
   0.01091852  0.29681013  0.89005534
   0.98976516  0.12154442  0.76801235
   0.43818185  0.24831943  0.30649607
   0.31318185  0.37331943  0.19988346
   0.85884250  0.54356581  0.01960640
   0.31318185  0.37331943  0.41199590
   0.43818185  0.37331943  0.35922955
   0.31318185  0.49831943  0.25330968
   0.86505875  0.07329367  0.81096396
   0.37537311  0.37908237  0.98279202
   0.43818185  0.49831943  0.30649607
   0.31318185  0.62331943  0.19988346
   0.80312352  0.07651922  0.65433709
   0.31318185  0.62331943  0.41199590
   0.43818185  0.62331943  0.35922955
   0.31318185  0.74831943  0.25330968
   0.13847528  0.49382181  0.11970927
   0.74963007  0.12731872  0.01041769
   0.43818185  0.74831943  0.30649607
   0.31318185  0.87331943  0.19988346
   0.93769196  0.54394886  0.22077107
   0.31318185  0.87331943  0.41199590
   0.43818185  0.87331943  0.35922955
   0.56318185  0.99831943  0.25330968
   0.65758425  0.95050514  0.30454972
   0.74309072  0.01765910  0.56823926
   0.68818185  0.99831943  0.30649607
   0.56318185  0.12331943  0.19988346
   0.02689484  0.27670951  0.98880649
   0.56318185  0.12331943  0.41199590
   0.68818185  0.12331943  0.35922955
   0.56318185  0.24831943  0.25330968
   0.56087195  0.27964342  0.31236798
   0.14510512  0.30707400  0.37157161
   0.68818185  0.24831943  0.30649607
   0.56318185  0.37331943  0.19988346
   0.38467860  0.89337287  0.77413930
   0.56318185  0.37331943  0.41199590
   0.68818185  0.37331943  0.35922955
   0.56318185  0.49831943  0.25330968
   0.68877500  0.27501290  0.99167630
   0.09373782  0.53912614  0.40779097
   0.68818185  0.49831943  0.30649607
   0.56318185  0.62331943  0.19988346
   0.39208180  0.09621144  0.41518122
   0.56318185  0.62331943  0.41199590
   0.68818185  0.62331943  0.35922955
   0.56318185  0.74831943  0.25330968
   0.85986362  0.93222711  0.77314209
   0.97559701  0.52608921  0.40666192
   0.68818185  0.74831943  0.30649607
   0.56318185  0.87331943  0.19988346
   0.80991010  0.36275158  0.12643246
   0.56318185  0.87331943  0.41199590
   0.68818185  0.87331943  0.35922955
   0.81318185  0.99831943  0.25330968
   0.10601203  0.03556066  0.50250947
   0.33701286  0.05559598  0.39910051
   0.93818185  0.99831943  0.30649607
   0.81318185  0.12331943  0.19988346
   0.14519662  0.13369595  0.38087800
   0.81318185  0.12331943  0.41199590
   0.93818185  0.12331943  0.35922955
   0.81318185  0.24831943  0.25330968
   0.88281808  0.62552243  0.73075713
   0.70715460  0.29009711  0.68825371
   0.93818185  0.24831943  0.30649607
   0.81318185  0.37331943  0.19988346
   0.97128497  0.19117197  0.78530387
   0.81318185  0.37331943  0.41199590
   0.93818185  0.37331943  0.35922955
   0.81318185  0.49831943  0.25330968
   0.84102642  0.04028417  0.65389879
   0.78066262  0.38770769  0.35511174
   0.93818185  0.49831943  0.30649607
   0.81318185  0.62331943  0.19988346
   0.64704437  0.38367716  0.18372223
   0.81318185  0.62331943  0.41199590
   0.93818185  0.62331943  0.35922955
   0.81318185  0.74831943  0.25330968
   0.47285605  0.95177407  0.61751674
   0.14522595  0.64841651  0.38458610
   0.93818185  0.74831943  0.30649607
   0.81318185  0.87331943  0.19988346
   0.39670212  0.60491223  0.59457652
   0.81318185  0.87331943  0.41199590
   0.93818185  0.87331943  0.35922955
   0.87448779  0.37390273  0.53653137
   0.40794154  0.04935848  0.00998753
   0.56629192  0.98636480  0.26249494
   0.35058049  0.11182304  0.11646300
   0.46066368  0.74428443  0.74039293
   0.59470258  0.02814471  0.50350434
   0.49121674  0.73989547  0.74998228
   0.96605337  0.71845679  0.33104442
   0.82775715  0.45421145  0.45386558
   0.01046442  0.56875553  0.93690259
   0.27052211  0.61568558  0.53861557
   0.30839072  0.55260238  0.69874419
   0.27852217  0.49320367  0.18362002
   0.56728874  0.90196547  0.58722938
   0.44544053  0.95662736  0.61183451
   0.74615096  0.26526060  0.01809527
   0.04934127  0.65055838  0.89222409
   0.44549302  0.79829120  0.95608434
   0.84459773  0.93982293  0.66972120
   0.52376501  0.74768329  0.00954758
   0.73099014  0.22907447  0.14060608
   0.92525231  0.28243531  0.82692482
   0.48771805  0.44207028  0.06444439
   0.39403589  0.76915896  0.13945223
   0.09524882  0.70538096  0.65811189
   0.44136730  0.80609976  0.27221455
   0.34714506  0.21174637  0.20050291
   0.33093509  0.96409609  0.36600970
   0.36282711  0.97772399  0.94660086
   0.60966099  0.90289228  0.60839907
   0.92782849  0.57439963  0.69345388
   0.03407491  0.29133282  0.27521702
   0.30137647  0.15736857  0.13433452
   0.28908170  0.04774379  0.76200640
   0.72190386  0.76322387  0.22595040
   0.10405181  0.57709839  0.50089509
   0.51748992  0.83307825  0.67945380