---------------- ATOM           1
  SHELL:           1   4.6911747418107330     
           8   1000.0000000000000     
  SHELL:           2   5.4169020000000003     
           6   1000.0000000000000     
  SHELL:           3   7.6606562744459437     
          12   1000.0000000000000     
  SHELL:           4   8.9829157300628744     
          24   1000.0000000000000     
  SHELL:           5   9.3823494836214660     
           8   1000.0000000000000     
  SHELL:           6   10.833804000000001     
           6   1000.0000000000000     
  SHELL:           7   11.805864202531682     
          24   1000.0000000000000     
  SHELL:           8   12.112561099454567     
          24   1000.0000000000000     
  SHELL:           9   13.268645886661684     
          24   1000.0000000000000     
  SHELL:          10   14.073524225432200     
          32   1000.0000000000000