No title                                
           1
     7.663100    0.000000    0.000000
     0.000000   25.326200    0.000000
     0.000000    0.000000   10.837260
   Si   O    C    H    Cl
    40     8     2    12     4
Direct configuration=     1
   0.00797151  0.45896977  0.07464168
   0.00159240  0.53571201  0.44880204
   0.24404377  0.46058347  0.20860539
   0.24690078  0.54044692  0.32250955
   0.99398881  0.23259648  0.44124645
   0.24398881  0.23259648  0.32626105
   0.99398881  0.30551384  0.07186359
   0.24398881  0.30551384  0.19564391
   0.99398881  0.38201797  0.44547604
   0.24398881  0.38201797  0.32203146
   0.00379233  0.45834631  0.56733909
   0.99933943  0.53852206  0.95348478
   0.24866233  0.46269485  0.70051036
   0.23894049  0.54240441  0.82438434
   0.24398881  0.23259648  0.82626105
   0.99398881  0.30551384  0.57186359
   0.24398881  0.30551384  0.69564391
   0.99398881  0.38201797  0.94547604
   0.24398881  0.38201797  0.82203146
   0.48064903  0.45918888  0.07467040
   0.50104810  0.53943738  0.44023486
   0.74482947  0.45826928  0.19846459
   0.75419443  0.53448856  0.32027891
   0.49398881  0.23259648  0.44124645
   0.74398881  0.23259648  0.32626105
   0.49398881  0.30551384  0.07186359
   0.74398881  0.30551384  0.19564391
   0.49398881  0.38201797  0.44547604
   0.74398881  0.38201797  0.32203146
   0.48936076  0.46150566  0.56214784
   0.48220006  0.54033588  0.95468458
   0.74373721  0.45693920  0.67740379
   0.74112764  0.52007593  0.84301211
   0.49398881  0.23259648  0.94124645
   0.74398881  0.23259648  0.82626105
   0.74398881  0.30551384  0.69564391
   0.49398881  0.38201797  0.94547604
   0.74398881  0.38201797  0.82203146
   0.22716279  0.66567824  0.76480090
   0.54090778  0.65970644  0.52234908
   0.21699334  0.60054540  0.74777937
   0.50914399  0.59643641  0.51184796
   0.98273370  0.58674166  0.54514629
   0.22793943  0.59583344  0.24215886
   0.00453500  0.59400615  0.03312592
   0.75415258  0.58658618  0.21793821
   0.47866157  0.59123679  0.05375632
   0.73119493  0.45864382  0.91368082
   0.22775885  0.69478694  0.61384203
   0.50149395  0.78629714  0.51779712
   0.28973041  0.76889613  0.50756560
   0.09058010  0.68801708  0.57504820
   0.58886565  0.81739928  0.49420341
   0.24143260  0.73801421  0.61814966
   0.49852059  0.76005293  0.41273996
   0.48961272  0.77441788  0.60976565
   0.06805449  0.58945950  0.61293023
   0.29947895  0.59947110  0.16651807
   0.92896971  0.59570145  0.10705887
   0.74448966  0.62118027  0.26186214
   0.58137931  0.59205093  0.10992935
   0.75373895  0.45923607  0.00486878
   0.44002200  0.68801980  0.86414725
   0.65644674  0.68072210  0.35681962
   0.01974262  0.69537980  0.86404740
   0.73557446  0.67036591  0.65111853