---------------- ATOM 1 SHELL: 1 4.62699650000000 6 7.00000000000000 SHELL: 2 6.54356120335284 12 93.0000000000000 SHELL: 3 8.01419302444337 8 7.00000000000000 SHELL: 4 9.25399300000000 6 93.0000000000000 SHELL: 5 10.3462787056536 24 7.00000000000000 SHELL: 6 11.3337804666437 24 93.0000000000000 SHELL: 7 13.0871224067057 12 93.0000000000000 SHELL: 8 13.8809895000000 30 7.00000000000000 SHELL: 9 14.6318476656273 24 93.0000000000000 SHELL: 10 15.3460112967877 24 7.00000000000000 ---------------- ATOM 2 SHELL: 1 4.62699650000000 6 93.0000000000000 SHELL: 2 6.54356120335284 12 7.00000000000000 SHELL: 3 8.01419302444337 8 93.0000000000000 SHELL: 4 9.25399300000000 6 7.00000000000000 SHELL: 5 10.3462787056536 24 93.0000000000000 SHELL: 6 11.3337804666437 24 7.00000000000000 SHELL: 7 13.0871224067057 12 7.00000000000000 SHELL: 8 13.8809895000000 30 93.0000000000000 SHELL: 9 14.6318476656273 24 7.00000000000000 SHELL: 10 15.3460112967877 24 93.0000000000000