---------------- ATOM           1
  SHELL:           1   4.41705258677625     
           8   8.00000000000000     
  SHELL:           2   7.21301666976155     
          12   94.0000000000000     
  SHELL:           3   8.45801176592967     
          24   8.00000000000000     
  SHELL:           4   10.2007460000000     
           6   94.0000000000000     
  SHELL:           5   11.1160052406817     
          24   8.00000000000000     
  SHELL:           6   12.4933113478683     
          24   94.0000000000000     
  SHELL:           7   13.2511577603287     
          32   8.00000000000000     
  SHELL:           8   14.4260333395231     
          12   94.0000000000000     
  SHELL:           9   15.0871067957836     
          48   8.00000000000000     
 ---------------- ATOM           2
  SHELL:           1   4.41705258677625     
           4   94.0000000000000     
  SHELL:           2   5.10037300000000     
           6   8.00000000000000     
  SHELL:           3   7.21301666976155     
          12   8.00000000000000     
  SHELL:           4   8.45801176592967     
          12   94.0000000000000     
  SHELL:           5   8.83410517355250     
           8   8.00000000000000     
  SHELL:           6   10.2007460000000     
           6   8.00000000000000     
  SHELL:           7   11.1160052406817     
          12   94.0000000000000     
  SHELL:           8   11.4047807386045     
          24   8.00000000000000     
  SHELL:           9   12.4933113478683     
          24   8.00000000000000     
  SHELL:          10   13.2511577603287     
          16   94.0000000000000     
  SHELL:          11   14.4260333395231     
          12   8.00000000000000     
  SHELL:          12   15.0871067957836     
          24   94.0000000000000     
  SHELL:          13   15.3011190000000     
          30   8.00000000000000     
 ---------------- ATOM           3
  SHELL:           1   4.41705258677625     
           4   94.0000000000000     
  SHELL:           2   5.10037300000000     
           6   8.00000000000000     
  SHELL:           3   7.21301666976155     
          12   8.00000000000000     
  SHELL:           4   8.45801176592967     
          12   94.0000000000000     
  SHELL:           5   8.83410517355250     
           8   8.00000000000000     
  SHELL:           6   10.2007460000000     
           6   8.00000000000000     
  SHELL:           7   11.1160052406817     
          12   94.0000000000000     
  SHELL:           8   11.4047807386045     
          24   8.00000000000000     
  SHELL:           9   12.4933113478683     
          24   8.00000000000000     
  SHELL:          10   13.2511577603287     
          16   94.0000000000000     
  SHELL:          11   14.4260333395231     
          12   8.00000000000000     
  SHELL:          12   15.0871067957836     
          24   94.0000000000000     
  SHELL:          13   15.3011190000000     
          30   8.00000000000000