---------------- ATOM           1
  SHELL:           1   4.39700453169134     
           8   8.00000000000000     
  SHELL:           2   7.18027833289939     
          12   95.0000000000000     
  SHELL:           3   8.41962266313750     
          24   8.00000000000000     
  SHELL:           4   10.1544470000000     
           6   95.0000000000000     
  SHELL:           5   11.0655520751349     
          24   8.00000000000000     
  SHELL:           6   12.4366068850677     
          24   95.0000000000000     
  SHELL:           7   13.1910135950740     
          32   8.00000000000000     
  SHELL:           8   14.3605566657988     
          12   95.0000000000000     
  SHELL:           9   15.0186296513141     
          48   8.00000000000000     
 ---------------- ATOM           2
  SHELL:           1   4.39700453169134     
           4   95.0000000000000     
  SHELL:           2   5.07722350000000     
           6   8.00000000000000     
  SHELL:           3   7.18027833289939     
          12   8.00000000000000     
  SHELL:           4   8.41962266313750     
          12   95.0000000000000     
  SHELL:           5   8.79400906338268     
           8   8.00000000000000     
  SHELL:           6   10.1544470000000     
           6   8.00000000000000     
  SHELL:           7   11.0655520751349     
          12   95.0000000000000     
  SHELL:           8   11.3530168829594     
          24   8.00000000000000     
  SHELL:           9   12.4366068850677     
          24   8.00000000000000     
  SHELL:          10   13.1910135950740     
          16   95.0000000000000     
  SHELL:          11   14.3605566657988     
          12   8.00000000000000     
  SHELL:          12   15.0186296513141     
          24   95.0000000000000     
  SHELL:          13   15.2316705000000     
          30   8.00000000000000     
 ---------------- ATOM           3
  SHELL:           1   4.39700453169134     
           4   95.0000000000000     
  SHELL:           2   5.07722350000000     
           6   8.00000000000000     
  SHELL:           3   7.18027833289939     
          12   8.00000000000000     
  SHELL:           4   8.41962266313750     
          12   95.0000000000000     
  SHELL:           5   8.79400906338268     
           8   8.00000000000000     
  SHELL:           6   10.1544470000000     
           6   8.00000000000000     
  SHELL:           7   11.0655520751349     
          12   95.0000000000000     
  SHELL:           8   11.3530168829594     
          24   8.00000000000000     
  SHELL:           9   12.4366068850677     
          24   8.00000000000000     
  SHELL:          10   13.1910135950740     
          16   95.0000000000000     
  SHELL:          11   14.3605566657988     
          12   8.00000000000000     
  SHELL:          12   15.0186296513141     
          24   95.0000000000000     
  SHELL:          13   15.2316705000000     
          30   8.00000000000000