Optical_BPDAPDA2                        
           1
    10.685201    0.000000    0.000000
     0.000000   10.685201    0.000000
     0.000000    0.000000   10.685201
   C    H    N    O 
    44    22     4     8
Direct configuration=     1
   0.89167668  0.10851568  0.41438476
   0.95717831  0.11456368  0.52658115
   0.07762067  0.06275597  0.53508445
   0.93704253  0.04817863  0.30974994
   0.05279939  0.99100513  0.32016151
   0.12799239  0.99900668  0.42913538
   0.76937483  0.16871836  0.42582711
   0.87055836  0.17778434  0.61912581
   0.25137795  0.93281419  0.42490501
   0.32450029  0.90320285  0.53157569
   0.43049346  0.82860847  0.51554810
   0.29326277  0.88804439  0.30720347
   0.39724792  0.81175005  0.29249214
   0.46582853  0.78426063  0.39837141
   0.58186843  0.71089465  0.40881864
   0.51850397  0.77322606  0.60876063
   0.71279064  0.63362859  0.59015557
   0.72242610  0.61368890  0.72000365
   0.81827290  0.53916810  0.76776538
   0.80289792  0.57844190  0.51077360
   0.89756097  0.50400876  0.56079807
   0.90586295  0.48328616  0.68930601
   0.71410023  0.91403861  0.04555289
   0.71701889  0.93728318  0.91701132
   0.81349721  0.89504690  0.84249705
   0.80784919  0.84330851  0.10146126
   0.90603219  0.80045186  0.02626225
   0.91221105  0.82561831  0.89672449
   0.60072087  0.97524665  0.09810933
   0.60204090  0.00803360  0.88131929
   0.01254716  0.77306391  0.81677191
   0.11012499  0.69792119  0.86625579
   0.18976587  0.63793503  0.78293713
   0.00569931  0.79013559  0.68605410
   0.08471372  0.72842468  0.60339194
   0.17471442  0.65054007  0.65461504
   0.26196282  0.56719335  0.58940455
   0.29459403  0.54852255  0.80491059
   0.43931630  0.42678653  0.65845270
   0.51718442  0.37542503  0.75163898
   0.62226570  0.30398085  0.71956929
   0.46901780  0.40147687  0.53323369
   0.57377406  0.33261532  0.50212583
   0.65291815  0.28183432  0.59371300
   0.13111593  0.07040408  0.62194791
   0.88130335  0.04356651  0.22438788
   0.08339173  0.93578782  0.24042834
   0.29859818  0.93509058  0.62515422
   0.24368242  0.91398815  0.22226442
   0.42444167  0.77503164  0.20123836
   0.82243363  0.52253209  0.86838842
   0.65349088  0.65402877  0.78278004
   0.79673186  0.59145665  0.41023463
   0.96580145  0.46182746  0.49754625
   0.80916382  0.91535392  0.74291513
   0.80357520  0.81982987  0.20065107
   0.97852299  0.74332168  0.06994855
   0.12199663  0.68295110  0.96654476
   0.93279220  0.84864073  0.64607398
   0.07449545  0.73776542  0.50253661
   0.68176692  0.26769424  0.79379106
   0.49688846  0.39310169  0.84992543
   0.41141691  0.43803698  0.45833750
   0.59268104  0.31815012  0.40379870
   0.97833848  0.42278321  0.72783348
   0.45763861  0.07653003  0.00136330
   0.75932864  0.21174322  0.55174530
   0.61166732  0.70505541  0.53900266
   0.53795194  0.02587306  0.99416420
   0.33585569  0.50752031  0.68398014
   0.88852109  0.19457560  0.73086334
   0.69323310  0.17754884  0.34092075
   0.51115150  0.77952000  0.72271844
   0.64178849  0.66564942  0.32222539
   0.56775082  0.04370654  0.77821250
   0.56618658  0.98339222  0.20664753
   0.33743890  0.51471038  0.90539101
   0.26660457  0.55243777  0.47572296