No title                                
           1
    20.000000    0.000000    0.000000
     0.000000   15.000000    0.000000
     0.000000    0.000000   15.000000
   N    H    C    Si   O 
     1    23     7     2     4
Direct configuration=     1
   0.42644093  0.64232660  0.52113714
   0.34519041  0.69691273  0.44283599
   0.40126127  0.69010819  0.55552368
   0.44009204  0.67934926  0.46717039
   0.44314246  0.52947708  0.74142185
   0.42810124  0.62175965  0.66905954
   0.36217842  0.58102870  0.73997566
   0.57786556  0.47212513  0.48959588
   0.53820073  0.57987693  0.49980775
   0.54294648  0.50760559  0.59381854
   0.18323325  0.53661016  0.65241666
   0.18305751  0.42126714  0.62273043
   0.25985432  0.47494187  0.65248857
   0.13120835  0.27361014  0.40837428
   0.11095446  0.37041881  0.47224300
   0.13320920  0.38102366  0.35736194
   0.31347357  0.78988365  0.50655237
   0.29414251  0.77771956  0.39315081
   0.26613916  0.69569690  0.46998847
   0.20428925  0.55543788  0.34365932
   0.29201886  0.55082027  0.33323097
   0.24278767  0.46581830  0.28619139
   0.36631809  0.39031898  0.41663819
   0.34413117  0.36911180  0.52618667
   0.34374856  0.42331716  0.47543385
   0.40550245  0.56218347  0.69888656
   0.53699897  0.50986507  0.52075462
   0.21160434  0.48407755  0.61798291
   0.14406101  0.34421339  0.41944967
   0.30471697  0.74377825  0.45425647
   0.24714377  0.51051035  0.34342757
   0.25444736  0.44692305  0.44956244
   0.40340325  0.51768735  0.52370583
   0.38396447  0.50382930  0.63001263
   0.47505297  0.47155748  0.49419509
   0.22049867  0.51121950  0.52746992
   0.21296810  0.35061825  0.44376476